NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5089 8.1633 120.2929 55.1491 34.2919 173.8637 2 Q 4.6060 8.4754 120.3585 55.1587 29.6821 174.6363 3 F 5.2322 9.7056 123.1218 55.6073 43.0938 174.1244 4 K 5.3585 9.3929 122.1463 54.6262 35.8313 174.4029 5 L 4.8792 8.7432 127.7229 53.1812 44.7245 174.9774 6 I 4.5460 8.8099 128.0856 60.3387 39.0341 174.7260 7 I 4.4802 8.7052 128.7818 59.8157 39.0973 174.7843 8 N 5.3853 9.0715 126.7566 51.1480 38.3150 174.0769 9 G 4.3420 8.4693 110.1396 44.0561 0.0000 171.4905 10 K 4.2799 9.6714 119.5870 58.7921 32.2153 178.7067 11 T 4.4220 7.9193 113.1338 63.7567 70.8390 174.3017 12 L 4.7782 7.6434 120.3448 52.7834 43.8045 175.5009 13 K 5.0803 9.2980 120.7444 54.1559 36.7160 177.3860 14 G 3.8045 6.9363 106.7750 45.7366 0.0000 170.9206 15 E 5.2434 8.1094 122.2359 54.7564 32.9465 175.8109 16 I 4.8775 8.7757 119.5203 59.2275 41.2443 174.1944 17 T 5.5199 8.5300 113.2384 60.2556 71.6001 172.5922 18 L 4.7113 8.9576 122.5333 54.7517 44.6806 173.6423 19 E 5.1166 8.6422 120.2327 55.3014 30.5880 174.7646 20 A 4.8639 8.9521 127.3134 50.8065 22.1967 176.7342 21 V 3.8142 9.2809 120.0491 64.3611 32.1092 176.3350 22 D 4.8041 7.4912 118.2825 51.1321 43.1452 175.8353 23 A 3.4189 8.5590 120.6777 54.9054 18.2673 179.5560 24 A 3.8149 7.7976 118.8944 55.2650 18.4959 179.3463 25 E 3.6957 8.5463 117.7149 59.1944 29.6046 178.8396 26 A 3.4380 7.4642 120.8208 54.7885 18.1990 179.1174 27 E 3.0396 8.0814 118.1418 58.9341 29.6253 178.9086 28 K 3.6816 7.6146 119.4461 59.5076 32.1919 178.8522 29 K 3.9916 7.6428 118.5906 59.5727 31.8154 179.4418 30 F 4.6311 8.0550 118.3044 60.4586 38.7903 178.0204 31 K 3.9275 8.2560 118.7208 59.2423 31.7339 179.4810 32 Q 3.9847 8.2417 118.5950 58.9794 28.6197 177.9330 33 Y 4.0599 8.3989 120.4943 60.7651 38.7890 178.0616 34 A 4.0424 8.6955 121.8400 55.3434 18.5936 179.2269 35 N 4.2606 8.3401 114.8703 56.7827 38.4460 177.3492 36 D 4.4085 7.9463 118.7341 56.5544 40.8908 177.6217 37 N 4.7662 7.3974 113.9011 51.7852 39.0064 174.9605 38 G 3.9050 7.5841 107.8953 46.4689 0.0000 173.6803 39 I 4.3475 7.8128 120.7309 59.6978 38.0118 175.1117 40 D 4.8815 8.8111 124.7224 52.6591 43.5888 174.8119 41 G 4.0201 8.3490 114.4207 45.4896 0.0000 170.9515 42 E 4.6799 8.5390 119.4272 55.1023 31.2377 175.5614 43 W 5.3742 9.0469 123.9957 55.2623 31.3010 175.3948 44 T 4.9952 9.0383 113.5396 60.1975 71.9846 172.1437 45 Y 4.9210 8.3676 122.4307 56.1077 42.6530 172.9927 46 D 4.4500 8.3446 127.3294 52.3634 41.9268 176.3492 47 D 3.9105 8.4043 126.2620 56.3060 41.8092 178.1605 48 A 3.9211 7.6629 121.8218 54.9371 18.3196 178.1711 49 T 4.2624 7.7939 102.0878 60.5959 69.6816 174.3724 50 K 4.0318 7.4738 120.7943 58.3884 30.2981 174.7882 51 T 5.3391 7.6587 114.1063 62.0048 71.9350 174.2992 52 F 5.3606 9.8466 125.7016 56.9811 41.5636 174.9937 53 T 5.1318 9.1241 117.7338 61.7019 72.3739 173.2171 54 V 4.1765 8.2445 125.4287 59.8497 33.9766 174.6253 55 T 4.8219 8.3848 121.3474 61.5481 71.6456 173.9902 56 E 4.2157 8.8830 125.7112 56.4943 29.2352 176.6950 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 M 8.16 4.51 0.00 1.80 1.92 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 2 Q 8.48 4.61 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 3 F 9.71 5.23 0.00 3.13 3.43 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 4 K 9.39 5.36 0.00 1.91 1.72 0.00 1.58 0.00 0.00 1.90 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.46 7.81 5 L 8.74 4.88 0.00 0.27 0.65 0.69 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.81 4.55 1.81 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 1.33 0.44 0.86 0.00 0.00 7 I 8.71 4.48 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.79 0.97 0.00 0.00 8 N 9.07 5.39 0.00 2.51 2.67 0.00 0.00 6.34 7.59 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 9 G 8.47 4.34 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 0.00 10 K 9.67 4.28 0.00 1.70 1.87 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 11 T 7.92 4.42 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 12 L 7.64 4.78 0.00 1.69 1.57 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 13 K 9.30 5.08 0.00 1.67 1.63 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.39 7.81 14 G 6.94 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 15 E 8.11 5.24 0.00 1.91 1.75 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 0.00 2.18 2.28 0.00 16 I 8.78 4.88 1.76 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.74 0.78 0.00 0.00 17 T 8.53 5.52 4.34 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 1.27 0.00 0.00 18 L 8.96 4.71 0.00 1.68 1.74 0.53 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.64 5.12 0.00 2.01 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 2.26 2.40 0.00 20 A 8.95 4.86 1.01 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 21 V 9.28 3.81 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 0.84 0.00 0.00 0.96 0.00 0.00 22 D 7.49 4.80 0.00 2.97 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.56 3.42 1.15 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 0.00 0.00 24 A 7.80 3.81 1.25 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 0.00 0.00 0.00 25 E 8.55 3.70 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 26 A 7.46 3.44 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 3.04 0.00 2.02 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 1.93 2.05 0.00 28 K 7.61 3.68 0.00 1.73 1.81 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.38 7.81 29 K 7.64 3.99 0.00 1.50 1.55 0.00 1.45 0.00 0.00 1.45 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.43 7.81 30 F 8.06 4.63 0.00 2.79 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 31 K 8.26 3.93 0.00 1.56 1.59 0.00 1.16 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.72 7.81 32 Q 8.24 3.98 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 33 Y 8.40 4.06 0.00 3.20 3.39 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 0.00 34 A 8.70 4.04 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 0.00 0.00 0.00 0.00 0.00 35 N 8.34 4.26 0.00 2.95 2.88 0.00 0.00 7.06 7.59 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 36 D 7.95 4.41 0.00 2.66 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.40 4.77 0.00 2.35 2.66 0.00 0.00 6.97 8.64 0.00 0.00 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 G 7.58 3.91 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 0.00 0.00 0.00 39 I 7.81 4.35 1.92 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 1.17 0.74 0.89 0.00 0.00 40 D 8.81 4.88 0.00 2.62 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 41 G 8.35 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 0.00 0.00 0.00 42 E 8.54 4.68 0.00 1.89 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 2.29 2.45 0.00 43 W 9.05 5.37 0.00 3.22 3.36 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 44 T 9.04 5.00 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 1.27 0.00 0.00 45 Y 8.37 4.92 0.00 2.71 2.75 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 0.00 0.00 0.00 0.00 46 D 8.34 4.45 0.00 2.53 2.37 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 0.00 47 D 8.40 3.91 0.00 2.75 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.66 3.92 1.25 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 0.00 0.00 0.00 49 T 7.79 4.26 4.19 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 0.00 0.00 0.00 1.15 0.00 0.00 50 K 7.47 4.03 0.00 1.78 1.44 0.00 1.69 0.00 0.00 1.89 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.23 1.18 7.81 51 T 7.66 5.34 4.20 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 1.24 0.00 0.00 52 F 9.85 5.36 0.00 2.97 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 53 T 9.12 5.13 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 1.18 0.00 0.00 54 V 8.24 4.18 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.13 0.00 0.00 55 T 8.38 4.82 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 1.17 0.00 0.00 56 E 8.88 4.22 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.20 0.00