NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9099 8.3393 109.7365 44.7826 0.0000 172.6294 2 V 3.7724 7.5149 116.5213 62.5687 33.5122 168.7688 3 I 4.3138 8.1849 120.9436 61.6466 40.0984 175.3226 4 D 4.6451 8.4751 127.1149 54.1787 39.0952 177.1182 5 T 4.3918 7.7878 127.2381 63.3698 68.9525 176.5728 6 S 5.4009 8.0022 119.8698 59.6223 64.2658 175.9289 7 A 4.2240 7.7871 123.8046 53.6393 18.0937 179.7333 8 V 3.4830 7.7401 117.0020 66.1629 31.8152 177.4575 9 E 3.9356 7.5738 118.9766 59.8214 28.9246 179.7621 10 S 4.0562 8.0032 113.1343 61.4671 63.2911 176.0301 11 A 4.4236 8.2347 126.8714 53.8971 18.1101 179.6861 12 I 3.7091 8.2096 118.5253 64.6684 37.0782 178.5816 13 T 3.8760 7.9368 116.7066 67.0019 68.1654 176.2914 14 D 4.5395 8.1531 120.2429 57.0497 40.8902 178.7255 15 G 3.6955 7.8588 105.9620 47.9284 0.0000 175.7091 16 Q 4.0689 8.2422 120.6430 58.6185 28.3219 178.8473 17 G 3.7857 8.3373 107.1343 48.3479 0.0000 175.3342 18 D 4.5241 8.5461 121.6462 57.0205 40.9356 178.7659 19 M 4.4282 8.1106 119.0259 57.9203 31.7608 178.8495 20 K 4.1365 7.9998 118.9482 58.9256 32.1740 179.2584 21 A 3.9239 7.5950 119.9875 55.2752 18.4024 179.7725 22 I 3.8609 8.4199 118.7565 64.6180 37.0207 178.9090 23 G 3.8540 8.4258 105.6978 47.8531 0.0000 175.4590 24 G 3.6467 8.1828 108.1113 47.5463 0.0000 175.3773 25 Y 4.3155 8.5873 120.0275 60.5052 37.9562 179.2265 26 I 3.7253 8.2861 121.0401 64.6059 37.2960 178.5653 27 V 3.7330 7.9416 119.0165 65.9007 31.0082 178.0358 28 G 3.7502 7.9362 105.0673 47.8219 0.0000 175.1903 29 A 4.0521 8.0129 122.2639 54.1726 18.7043 179.3822 30 L 4.1141 7.8627 117.3019 57.1463 41.5753 179.6131 31 V 3.6634 7.3821 118.6225 65.8027 31.4075 177.9995 32 I 3.6554 7.7141 119.1298 64.3044 36.9267 178.0014 33 L 3.9578 7.8785 119.1439 57.8964 41.5417 178.9425 34 A 3.9802 8.2626 120.7285 55.7369 18.2400 179.8413 35 V 3.5280 8.6608 116.2831 66.1028 31.7609 178.2733 36 A 4.2471 8.4488 120.4770 54.6488 18.1129 179.5827 37 G 3.7677 8.2885 104.6452 47.2935 0.0000 176.3215 38 L 3.9678 7.9066 121.2788 57.7779 41.6123 179.5434 39 I 3.7028 8.1456 120.1857 64.3964 37.0470 177.7406 40 Y 4.2468 8.1243 120.3234 61.1547 38.3625 178.6205 41 S 3.6973 7.8953 115.4357 60.9191 62.6062 176.5302 42 M 4.0024 8.0018 121.5964 58.5359 31.8462 178.1530 43 L 4.0333 7.9587 118.1556 57.8911 41.9895 179.6601 44 R 4.1138 7.9912 114.2355 58.6139 29.3494 178.6089 45 K 4.0442 7.4949 119.6763 58.8543 32.4009 176.2439 46 A 4.2976 7.5730 125.1032 52.2215 19.1944 175.4605 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 G 8.34 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 2 V 7.51 3.77 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 0.65 0.00 0.00 0.93 0.00 0.00 3 I 8.18 4.31 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 1.41 0.30 0.91 0.00 0.00 4 D 8.48 4.65 0.00 2.67 2.64 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 0.00 0.00 0.00 0.00 5 T 7.79 4.39 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 6 S 8.00 5.40 0.00 3.85 3.89 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 0.00 0.00 0.00 7 A 7.79 4.22 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 8 V 7.74 3.48 2.26 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 1.14 0.00 0.00 0.93 0.00 0.00 9 E 7.57 3.94 0.00 2.34 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 2.35 2.58 0.00 10 S 8.00 4.06 0.00 4.06 4.10 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 11 A 8.23 4.42 1.39 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 0.00 0.00 12 I 8.21 3.71 1.99 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 1.52 0.70 0.91 0.00 0.00 13 T 7.94 3.88 4.43 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 1.21 0.00 0.00 14 D 8.15 4.54 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.86 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 16 Q 8.24 4.07 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 17 G 8.34 3.79 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 0.00 18 D 8.55 4.52 0.00 2.69 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 19 M 8.11 4.43 0.00 2.09 2.35 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 20 K 8.00 4.14 0.00 2.00 1.83 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.59 7.81 21 A 7.60 3.92 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.42 3.86 1.91 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 1.49 0.70 0.95 0.00 0.00 23 G 8.43 3.85 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 0.00 0.00 0.00 24 G 8.18 3.65 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 0.00 25 Y 8.59 4.32 0.00 3.03 2.95 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 26 I 8.29 3.73 2.05 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 1.44 0.93 0.93 0.00 0.00 27 V 7.94 3.73 2.28 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 1.01 0.00 0.00 0.96 0.00 0.00 28 G 7.94 3.75 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 0.00 0.00 0.00 29 A 8.01 4.05 1.39 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 0.00 0.00 30 L 7.86 4.11 0.00 1.90 1.74 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.38 3.66 2.26 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 1.04 0.00 0.00 0.98 0.00 0.00 32 I 7.71 3.66 2.03 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 1.66 0.66 0.93 0.00 0.00 33 L 7.88 3.96 0.00 1.94 1.74 0.94 0.60 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 34 A 8.26 3.98 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 35 V 8.66 3.53 2.19 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 1.08 0.00 0.00 0.94 0.00 0.00 36 A 8.45 4.25 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.29 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 38 L 7.91 3.97 0.00 1.89 1.71 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.15 3.70 1.92 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 1.42 0.83 0.95 0.00 0.00 40 Y 8.12 4.25 0.00 3.00 3.11 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 41 S 7.90 3.70 0.00 3.91 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.00 4.00 0.00 2.28 2.12 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 2.59 2.62 0.00 43 L 7.96 4.03 0.00 1.87 1.78 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.99 4.11 0.00 2.10 2.36 0.00 3.18 0.00 0.00 2.83 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 45 K 7.49 4.04 0.00 2.02 2.03 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.42 7.81 46 A 7.57 4.30 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00