NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.8214 8.1827 119.3858 57.2115 39.3742 175.1239 2 V 3.5946 8.3278 126.5984 64.3650 31.3780 175.1284 3 N 4.3391 9.3007 117.8635 57.7975 38.9813 175.9180 4 Q 4.1120 8.0985 118.3961 58.6939 28.7973 178.0052 5 H 4.2521 7.7535 118.3045 59.2148 30.3430 176.9355 6 L 4.0831 8.6787 121.5850 58.0575 41.5114 178.7531 7 C 4.0517 8.1906 118.6479 62.9255 31.3935 176.1012 8 G 3.7241 8.5239 107.1937 47.8538 0.0000 175.5958 9 S 4.0565 7.9736 114.9043 61.5240 62.3352 175.9901 10 H 4.0446 8.0406 118.6151 58.3742 28.4329 177.2829 11 L 3.9048 8.0927 122.3867 58.3753 41.9655 179.6003 12 V 3.1188 7.5586 112.1818 63.8530 31.3044 178.2943 13 E 3.8855 7.6548 118.8539 59.0967 29.4257 178.6232 14 A 3.9623 8.0448 120.8563 55.1615 18.3575 179.5893 15 L 3.6760 7.8569 117.6573 57.9657 41.1894 178.9997 16 Y 4.3008 7.7276 119.3692 60.8183 38.4514 178.3965 17 L 3.8121 7.7494 118.7157 57.7599 41.8596 179.3498 18 V 3.6909 7.7073 117.1054 66.1509 31.6713 177.4727 19 C 4.3415 8.6484 116.2673 60.4263 28.7015 175.2655 20 G 3.6568 8.1234 110.1528 45.8714 0.0000 175.5618 21 E 3.9344 8.9593 121.6662 59.1792 29.5382 178.2644 22 R 3.8594 7.6637 117.1208 57.1616 30.2624 177.9812 23 G 3.9632 8.3613 106.5065 44.9585 0.0000 171.9216 24 F 4.9106 7.7044 111.7082 55.9716 40.3727 172.8763 25 Y 4.6469 8.8490 122.7161 56.4367 38.7159 175.0370 26 F 4.8442 8.5220 130.4288 56.0289 39.4697 173.3483 27 T 4.1551 7.1013 114.5704 57.2825 68.3979 173.2528 28 P 4.0373 0.0000 0.0000 63.7286 31.2855 176.2342 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 F 8.18 4.82 0.00 3.09 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 2 V 8.33 3.59 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 1.09 0.00 0.00 0.96 0.00 0.00 3 N 9.30 4.34 0.00 2.92 2.85 0.00 0.00 7.26 7.00 0.00 0.00 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 Q 8.10 4.11 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 5 H 7.75 4.25 0.00 3.17 3.50 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.68 4.08 0.00 1.84 1.75 0.96 -0.02 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 7 C 8.19 4.05 0.00 3.02 3.14 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 0.00 0.00 0.00 8 G 8.52 3.72 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 0.00 0.00 0.00 9 S 7.97 4.06 0.00 3.82 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 10 H 8.04 4.04 0.00 3.36 3.31 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.09 3.90 0.00 2.00 1.73 1.07 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.56 3.12 1.77 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 -0.32 0.00 0.00 0.78 0.00 0.00 13 E 7.65 3.89 0.00 2.04 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 2.29 2.38 0.00 14 A 8.04 3.96 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 15 L 7.86 3.68 0.00 0.91 0.47 0.70 0.94 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 16 Y 7.73 4.30 0.00 3.24 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 17 L 7.75 3.81 0.00 1.83 1.68 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.71 3.69 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 0.82 0.00 0.00 0.93 0.00 0.00 19 C 8.65 4.34 0.00 3.27 3.26 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 20 G 8.12 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 21 E 8.96 3.93 0.00 1.90 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 2.30 2.41 0.00 22 R 7.66 3.86 0.00 1.84 2.03 0.00 3.34 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.93 0.00 23 G 8.36 3.96 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 0.00 24 F 7.70 4.91 0.00 3.19 3.06 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 0.00 0.00 0.00 0.00 25 Y 8.85 4.65 0.00 2.95 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 26 F 8.52 4.84 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 27 T 7.10 4.16 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 0.61 0.00 0.00 28 P 0.00 4.04 0.00 1.93 1.79 0.00 3.62 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00