NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3043 8.3149 119.9988 57.1521 34.0581 176.3579 2 C 4.4226 8.7159 115.8863 58.3876 41.0137 173.2430 3 N 4.8006 8.2972 111.9947 54.4651 42.8258 173.3034 4 T 4.8177 7.5500 110.8226 60.4401 70.0009 172.9120 5 A 4.2354 8.6254 119.9030 55.3217 18.7336 179.6938 6 T 3.8239 7.9070 107.9421 65.3516 68.3236 176.4241 7 C 4.1028 8.2875 119.4698 59.3042 37.9760 175.2288 8 A 4.1215 7.8614 121.3148 55.6265 17.7182 179.6331 9 T 3.9614 9.9916 113.3008 66.0699 68.1749 176.2471 10 Q 4.4197 8.7553 122.8517 59.1009 28.7661 178.5808 11 R 4.1656 7.8978 116.7841 59.0580 29.9835 178.7163 12 L 4.3537 8.0217 119.8446 57.5613 40.2956 178.4102 13 A 3.9041 9.2618 122.7469 55.4972 18.1696 179.1455 14 N 4.3661 7.8535 113.2726 56.6865 38.4856 177.1952 15 F 4.4160 8.4320 120.7487 61.0445 39.6413 176.5812 16 L 3.9557 7.1873 117.3409 57.0782 41.8427 179.2496 17 V 3.6005 8.6947 112.9386 64.3442 31.4346 178.5418 18 R 4.0797 8.4844 118.7239 58.8555 29.7860 178.1469 19 S 4.4416 7.9245 112.9699 61.0460 62.1930 175.5123 20 S 4.1241 7.7252 113.6017 59.6512 61.7814 175.0030 21 N 4.2506 8.2376 119.7514 57.6200 38.7767 175.8668 22 N 4.4744 7.4531 115.6469 56.3256 38.7598 176.8070 23 L 4.1596 8.1555 118.6010 56.8265 43.2500 177.8250 24 G 4.0265 8.3060 105.2341 45.6760 0.0000 171.8750 25 P 4.1636 0.0000 0.0000 65.2197 32.1309 176.9840 26 V 4.4726 7.0859 115.3527 61.3034 34.6584 175.1848 27 L 4.2861 7.9426 122.1676 54.5758 40.4851 172.8947 28 P 4.3280 0.0000 0.0000 65.1845 31.2060 176.2417 29 P 4.0476 0.0000 0.0000 64.0024 31.6091 175.7967 30 T 4.0894 6.9073 111.4060 62.5831 69.7321 171.9800 31 N 5.0969 8.6033 120.6331 53.5301 39.6139 175.1346 32 V 4.4376 7.8389 108.6442 60.1063 34.1374 176.4431 33 G 4.1822 7.9530 107.4525 43.7517 0.0000 172.3900 34 S 4.7673 8.0963 112.6033 58.3581 64.3108 174.6857 35 N 4.9547 8.0870 116.3481 52.4760 37.9679 173.9609 36 T 4.2364 7.2313 112.8582 63.1335 71.8182 173.2476 37 Y 4.4596 7.7265 124.9559 58.3783 38.4188 175.9006 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 K 8.31 4.30 0.00 2.10 1.91 0.00 1.53 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.48 7.81 2 C 8.72 4.42 0.00 3.06 3.17 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 0.00 3 N 8.30 4.80 0.00 2.64 2.78 0.00 0.00 6.61 7.54 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 4 T 7.55 4.82 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 5 A 8.63 4.24 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 6 T 7.91 3.82 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 1.20 0.00 0.00 7 C 8.29 4.10 0.00 2.99 3.18 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 8 A 7.86 4.12 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 9 T 9.99 3.96 4.38 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 1.19 0.00 0.00 10 Q 8.76 4.42 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 11 R 7.90 4.17 0.00 2.10 2.18 0.00 2.88 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 12 L 8.02 4.35 0.00 2.31 2.13 0.96 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 13 A 9.26 3.90 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.85 4.37 0.00 3.13 2.94 0.00 0.00 6.88 8.03 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 15 F 8.43 4.42 0.00 2.81 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 16 L 7.19 3.96 0.00 1.53 1.34 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.69 3.60 2.06 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 0.98 0.00 0.00 0.96 0.00 0.00 18 R 8.48 4.08 0.00 1.87 2.06 0.00 3.14 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 19 S 7.92 4.44 0.00 4.06 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.73 4.12 0.00 3.96 3.93 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 0.00 0.00 0.00 21 N 8.24 4.25 0.00 2.90 2.86 0.00 0.00 7.17 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.45 4.47 0.00 2.85 2.88 0.00 0.00 7.16 7.75 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 23 L 8.16 4.16 0.00 1.78 1.75 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.31 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.16 0.00 2.05 2.14 0.00 3.62 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 26 V 7.09 4.47 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 0.81 0.00 0.00 0.93 0.00 0.00 27 L 7.94 4.29 0.00 1.73 1.64 0.99 0.68 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 28 P 0.00 4.33 0.00 2.06 2.15 0.00 3.72 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 2.03 2.11 0.00 29 P 0.00 4.05 0.00 2.04 2.10 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 30 T 6.91 4.09 4.25 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 1.23 0.00 0.00 31 N 8.60 5.10 0.00 2.64 2.69 0.00 0.00 6.78 7.71 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 32 V 7.84 4.44 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 0.95 0.00 0.00 33 G 7.95 4.18 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 0.00 34 S 8.10 4.77 0.00 3.83 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.09 4.95 0.00 2.74 2.85 0.00 0.00 5.92 7.71 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 36 T 7.23 4.24 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 0.89 0.00 0.00 37 Y 7.73 4.46 0.00 3.01 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