NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.6197 8.4449 120.3920 56.2962 30.8211 172.3306 4 M 4.2137 7.6171 119.2501 52.3071 31.9804 173.1338 5 P 4.2968 0.0000 0.0000 62.7204 33.1026 176.0482 6 V 4.0954 8.0821 120.8968 61.0463 32.4386 174.3543 7 P 4.6552 0.0000 0.0000 62.0616 32.0945 176.7541 8 S 4.4326 9.1930 116.6511 57.9464 64.8237 175.0808 9 F 4.4430 9.0215 124.0515 61.8304 38.8597 177.5347 10 G 3.3797 8.0669 104.3735 47.8015 0.0000 175.4043 11 E 3.7687 8.1157 120.9280 58.8643 29.4027 179.2266 12 A 4.2018 8.4377 121.2570 55.6237 18.4235 179.5827 13 M 3.9212 8.1272 117.1638 58.2306 31.9089 178.6975 14 A 3.8900 7.9731 120.9525 55.5214 18.5543 179.2037 15 Y 4.2370 7.9704 115.1884 61.3605 37.9770 178.8904 16 F 4.1834 8.7712 121.5728 61.2609 39.4150 176.9752 17 A 4.0708 8.4170 120.5713 55.4715 18.1346 179.5331 18 M 4.0029 8.0885 117.2538 58.4407 31.9309 179.2005 19 V 3.5810 7.6360 118.5546 65.7211 31.6384 178.0478 20 K 3.7336 7.9934 119.8638 59.4435 31.7926 178.7448 21 R 3.8957 8.0044 118.2239 59.3928 30.0739 177.6693 22 Y 4.2397 8.0826 119.3930 60.8348 38.7674 178.0067 23 L 4.1587 8.3031 120.3445 57.7667 41.5675 178.9113 24 T 4.2740 8.1342 107.9085 62.8376 69.1551 175.9039 25 S 4.2302 7.4850 116.3784 58.4391 63.5062 173.4790 26 F 4.8311 6.8908 121.0595 54.9587 42.1803 174.2363 27 P 4.6683 0.0000 0.0000 62.3475 29.3878 176.7010 28 I 3.8756 7.3103 112.5169 61.4671 39.0686 177.5184 29 D 4.6880 8.3241 121.9378 53.4823 41.1190 175.9097 30 D 4.8594 8.4656 117.0521 54.9568 41.5084 178.1920 31 R 3.8304 8.0250 120.3598 59.3232 30.2231 178.0758 32 V 3.6025 7.9040 118.0350 66.2985 31.5354 177.7519 33 Q 4.0070 7.6775 116.2180 59.3079 28.5471 179.2133 34 S 4.2067 7.7781 112.6268 61.5787 62.4201 175.8750 35 H 4.3709 8.2240 119.0440 58.7941 28.3482 177.7186 36 I 3.9169 8.1590 121.8061 64.5296 37.0398 178.1650 37 L 4.0603 8.0705 119.5850 58.4438 41.5410 179.5613 38 H 4.1604 8.3839 115.7826 58.8371 28.6684 177.7315 39 L 3.9865 8.1041 122.2348 57.8757 41.7682 178.4940 40 E 3.2218 8.2955 119.4805 59.3158 29.5249 178.0055 41 H 4.1235 8.1577 118.1768 59.7551 29.7774 176.7290 42 D 4.3502 8.0800 120.2858 57.3533 40.3054 178.6915 43 L 3.9590 7.9430 119.5187 57.7589 41.5666 179.8831 44 V 3.6132 7.4458 118.0346 66.4297 31.4100 177.9408 45 H 4.1761 8.2031 114.8214 58.4472 28.6010 177.6348 46 V 3.7098 7.7975 119.8339 66.1913 31.3707 177.9747 47 T 3.8844 7.1023 114.6411 66.2402 68.3463 174.9723 48 R 4.0984 7.6621 123.9028 56.5050 30.2778 175.6973 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 3 H 8.44 4.62 0.00 3.09 3.35 0.00 5.85 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 7.62 4.21 0.00 1.97 1.65 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 5 P 0.00 4.30 0.00 2.06 2.02 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 6 V 8.08 4.10 2.11 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 0.84 0.00 0.00 0.95 0.00 0.00 7 P 0.00 4.66 0.00 2.21 2.16 0.00 3.79 0.00 0.00 3.74 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 8 S 9.19 4.43 0.00 4.08 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 9 F 9.02 4.44 0.00 3.01 3.15 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 10 G 8.07 3.38 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 0.00 11 E 8.12 3.77 0.00 2.23 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 2.24 2.28 0.00 12 A 8.44 4.20 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 13 M 8.13 3.92 0.00 1.78 1.73 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 1.50 1.94 0.00 14 A 7.97 3.89 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 15 Y 7.97 4.24 0.00 3.26 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.77 4.18 0.00 3.22 3.22 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 0.00 17 A 8.42 4.07 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 18 M 8.09 4.00 0.00 2.10 2.35 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.83 0.00 19 V 7.64 3.58 1.91 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 0.99 0.00 0.00 0.98 0.00 0.00 20 K 7.99 3.73 0.00 1.31 1.75 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.41 7.81 21 R 8.00 3.90 0.00 1.80 2.18 0.00 3.35 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 22 Y 8.08 4.24 0.00 3.11 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 23 L 8.30 4.16 0.00 1.77 1.75 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.13 4.27 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 1.27 0.00 0.00 25 S 7.48 4.23 0.00 3.63 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 6.89 4.83 0.00 3.04 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.67 0.00 2.20 2.12 0.00 3.98 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 2.04 1.99 0.00 28 I 7.31 3.88 1.89 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 1.50 0.61 1.04 0.00 0.00 29 D 8.32 4.69 0.00 2.84 2.88 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 30 D 8.47 4.86 0.00 2.69 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 31 R 8.03 3.83 0.00 1.97 1.93 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 32 V 7.90 3.60 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 1.09 0.00 0.00 1.00 0.00 0.00 33 Q 7.68 4.01 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 34 S 7.78 4.21 0.00 3.95 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 35 H 8.22 4.37 0.00 3.44 3.38 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.16 3.92 2.14 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 1.58 0.85 1.09 0.00 0.00 37 L 8.07 4.06 0.00 2.08 1.75 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.38 4.16 0.00 3.31 3.41 0.00 5.81 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.10 3.99 0.00 1.90 1.81 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.30 3.22 0.00 2.30 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 0.00 2.29 2.34 0.00 41 H 8.16 4.12 0.00 3.35 3.57 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.08 4.35 0.00 2.92 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.94 3.96 0.00 1.77 1.76 0.42 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.45 3.61 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 0.91 0.00 0.00 1.16 0.00 0.00 45 H 8.20 4.18 0.00 3.04 3.28 0.00 5.91 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.80 3.71 2.20 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 0.82 0.00 0.00 0.92 0.00 0.00 47 T 7.10 3.88 4.01 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 0.66 0.00 0.00 48 R 7.66 4.10 0.00 1.79 1.71 0.00 3.22 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00