NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1246 8.0093 120.7866 61.0542 39.0427 174.5555 2 T 4.4721 8.3834 117.5269 59.2839 71.1546 171.6237 3 A 4.7268 8.8409 125.9730 50.1001 23.3169 177.0947 4 K 4.3070 8.2991 119.1016 55.2814 32.9914 175.4489 5 P 4.4646 0.0000 0.0000 61.5645 31.9979 176.5127 6 A 4.0110 8.4954 122.7171 52.9653 18.5589 178.3995 7 K 4.1728 8.7411 122.6348 59.0009 32.9699 177.7935 8 T 4.6561 7.3551 106.7072 58.3831 68.3302 171.6229 9 P 4.0226 0.0000 0.0000 64.4194 31.8911 176.9120 10 T 4.4444 8.2116 118.5791 61.8026 68.4244 175.1918 11 S 4.3423 8.5361 122.4360 57.5140 64.9247 173.3005 12 P 4.2136 0.0000 0.0000 65.5400 31.0065 178.8110 13 K 3.8617 7.9604 117.7848 59.6716 32.1289 178.3106 14 E 3.9606 7.8183 118.5722 59.5995 29.3901 179.5234 15 Q 3.9144 8.2137 117.5592 58.9959 28.8547 178.4558 16 A 3.9676 8.2903 122.1155 55.4853 18.2759 179.8635 17 I 3.7685 7.9781 118.1479 64.4070 37.2406 178.8727 18 G 3.6388 8.2558 106.9477 47.6792 0.0000 175.5284 19 L 3.8583 8.3930 123.0649 57.8366 42.0968 179.2427 20 S 4.0051 7.9505 115.0969 61.5316 62.7327 176.7414 21 V 3.6354 8.1652 121.2632 66.3808 30.7227 177.9298 22 T 4.0465 8.0163 115.2481 66.9537 68.3660 176.3069 23 F 4.2355 8.6948 119.4073 60.8507 38.9268 177.8414 24 L 4.1333 8.2971 118.6075 57.9046 41.2874 179.7475 25 S 4.1740 8.3582 112.6856 60.8211 62.8251 175.8302 26 F 4.3007 7.7507 119.8931 59.6570 39.5674 177.5147 27 L 4.3322 8.5329 118.8158 57.2642 41.5278 179.1203 28 L 4.0490 8.3512 119.4966 57.3604 41.6818 177.4397 29 P 4.2578 0.0000 0.0000 65.9233 31.2622 178.6020 30 A 4.2519 8.1174 119.0362 54.9723 18.3992 179.7560 31 G 3.6292 8.4087 104.4442 47.5650 0.0000 175.5523 32 W 4.1585 8.6600 131.1894 60.3256 30.5525 178.0587 33 V 3.6919 7.8436 116.0920 66.2737 31.4722 177.5905 34 L 4.1772 8.2793 118.7551 58.0335 41.2170 178.9220 35 Y 4.0290 8.3927 118.9785 60.6664 38.8506 176.8979 36 H 4.2446 7.7894 115.0489 55.5732 28.7323 176.7895 37 L 4.0072 7.4050 124.1195 58.2464 41.4229 179.2328 38 D 4.2343 7.7209 117.8514 57.5171 40.6418 178.4222 39 N 4.1868 7.2343 115.0648 55.7374 38.6644 176.1417 40 Y 4.6854 7.2316 117.1309 59.8397 38.7846 177.7382 41 K 3.9839 7.9842 118.2147 59.5654 32.3572 179.3381 42 K 3.9817 7.7902 116.5016 57.9324 31.9497 177.2794 43 S 4.5936 7.8855 120.0976 58.6731 63.2537 168.5170 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 I 8.01 4.12 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 1.47 1.35 0.91 0.00 0.00 2 T 8.38 4.47 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 3 A 8.84 4.73 1.21 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 0.00 0.00 4 K 8.30 4.31 0.00 1.76 1.77 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.46 7.81 5 P 0.00 4.46 0.00 2.04 1.97 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 6 A 8.50 4.01 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 7 K 8.74 4.17 0.00 1.76 1.88 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 T 7.36 4.66 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 9 P 0.00 4.02 0.00 2.19 2.14 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 10 T 8.21 4.44 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 1.20 0.00 0.00 11 S 8.54 4.34 0.00 4.07 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 12 P 0.00 4.21 0.00 2.16 2.13 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 13 K 7.96 3.86 0.00 1.80 1.79 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.52 7.81 14 E 7.82 3.96 0.00 2.20 1.99 0.00 0.00 0.00 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 2.36 0.00 15 Q 8.21 3.91 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 16 A 8.29 3.97 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 17 I 7.98 3.77 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.73 0.90 0.00 0.00 18 G 8.26 3.64 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 0.00 0.00 0.00 19 L 8.39 3.86 0.00 1.63 1.58 0.72 -0.20 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 20 S 7.95 4.01 0.00 4.04 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 21 V 8.17 3.64 2.24 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 1.14 0.00 0.00 1.03 0.00 0.00 22 T 8.02 4.05 4.58 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 1.44 0.00 0.00 23 F 8.69 4.24 0.00 3.07 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 24 L 8.30 4.13 0.00 2.15 1.79 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.36 4.17 0.00 3.98 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.30 0.00 3.15 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 27 L 8.53 4.33 0.00 1.74 1.77 0.95 0.52 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 28 L 8.35 4.05 0.00 1.70 1.73 0.94 1.08 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 29 P 0.00 4.26 0.00 2.15 2.09 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 30 A 8.12 4.25 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 31 G 8.41 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 8.66 4.16 0.00 3.50 3.49 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 0.00 0.00 0.00 0.00 33 V 7.84 3.69 2.27 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 1.05 0.00 0.00 1.32 0.00 0.00 34 L 8.28 4.18 0.00 1.90 1.76 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.39 4.03 0.00 3.00 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 36 H 7.79 4.24 0.00 2.65 2.34 0.00 5.71 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.41 4.01 0.00 1.81 1.69 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.72 4.23 0.00 2.45 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.23 4.19 0.00 2.06 2.68 0.00 0.00 7.04 8.39 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 40 Y 7.23 4.69 0.00 3.08 2.85 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 41 K 7.98 3.98 0.00 1.84 1.88 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.62 7.81 42 K 7.79 3.98 0.00 1.71 1.86 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.72 1.58 7.81 43 S 7.89 4.59 0.00 4.00 4.12 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