NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2709 8.1693 120.6233 53.6016 43.0838 176.5164 2 P 4.2476 0.0000 0.0000 61.7637 31.8373 172.9721 3 E 4.0650 9.6411 122.1948 58.5829 30.7708 178.2217 4 S 4.9051 7.3597 111.9185 56.7868 66.3361 173.0665 5 F 4.4379 8.0916 119.6682 56.5104 42.0764 173.2428 6 D 4.6195 7.6316 126.2083 51.7338 43.7193 175.8087 7 A 3.9966 8.5663 129.6468 55.1841 18.2121 179.2339 8 R 3.9132 8.0178 116.1594 59.6078 30.2224 178.7551 9 E 4.0902 7.8787 116.6961 59.2860 29.6723 178.8613 10 Q 3.8933 7.6317 117.3535 56.8460 30.2340 176.5926 11 W 4.9282 7.9563 119.7368 53.9007 29.0179 174.2801 12 P 4.3813 0.0000 0.0000 65.1896 31.2728 177.8605 13 N 4.7720 8.1880 114.7954 53.7444 38.8226 176.1643 14 C 4.9511 8.0767 117.6517 53.2647 35.1146 172.4353 15 P 4.1348 0.0000 0.0000 65.6984 31.1569 177.7201 16 T 3.9111 7.9500 108.0155 64.8630 68.2370 176.2441 17 I 4.0322 7.4598 123.2787 63.4163 37.1985 177.2026 18 K 4.2131 7.7629 116.6533 57.3126 32.4922 176.9285 19 E 4.1803 7.9059 120.4987 55.7324 30.1520 175.6553 20 I 4.4831 8.1875 125.4038 59.6221 39.7150 175.5272 21 R 4.5586 8.4125 123.6855 54.5078 32.4626 174.6989 22 D 4.5397 8.2659 117.3082 52.5604 42.9472 175.2302 23 Q 2.8029 8.2289 124.9104 56.2119 29.1346 177.5383 24 G 3.8200 8.2301 108.4019 45.1026 0.0000 174.1329 25 S 4.4424 8.2383 112.1246 56.2447 61.2545 172.3499 26 C 4.5856 7.4270 118.6862 58.3769 34.9835 174.7134 27 G 4.0016 8.7266 117.7019 45.2033 0.0000 173.5636 28 S 4.5273 7.5968 109.1909 58.1719 64.2949 176.2229 29 C 3.9618 8.3733 119.6590 62.1416 28.9742 175.4964 30 W 4.3028 8.4250 118.3036 59.4215 27.4687 177.9493 31 A 3.6579 6.7102 121.2811 54.3662 17.7182 179.6857 32 F 3.7691 8.0700 116.1473 60.4242 38.9504 177.9606 33 G 3.6857 8.4213 105.3114 47.7233 0.0000 175.5212 34 A 3.9962 7.6507 121.8130 55.2049 18.5179 180.2351 35 V 3.6114 7.9081 110.6758 64.2708 31.5155 178.9417 36 E 3.8858 8.2019 118.3001 59.4497 29.3049 179.2438 37 A 4.0470 7.7974 120.6553 55.0264 18.3380 179.7834 38 I 3.6478 8.1981 119.0654 64.4613 37.2330 178.8338 39 S 4.0626 8.1913 116.2066 61.5801 62.4618 176.3623 40 D 4.2706 8.0135 121.5594 57.5682 40.5891 179.2215 41 R 3.8825 8.1910 118.6845 59.0575 29.7550 179.2297 42 I 3.6989 7.6806 119.2787 64.3202 37.1338 177.3601 43 C 4.3634 7.7377 118.0051 59.7696 43.5931 175.3683 44 I 3.4194 7.5682 120.3814 63.2132 37.8979 177.2515 45 H 4.8830 7.6930 116.9553 54.0265 27.0228 175.9146 46 S 4.3803 7.6555 119.8195 57.2584 62.6475 173.0030 47 N 4.4538 7.8223 120.7258 52.5440 38.4247 175.1151 48 G 3.4549 8.7334 107.0740 45.6525 0.0000 172.7523 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 L 8.17 4.27 0.00 1.61 1.60 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.25 0.00 2.53 2.09 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 3 E 9.64 4.06 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 4 S 7.36 4.91 0.00 3.88 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 5 F 8.09 4.44 0.00 2.88 2.89 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 6 D 7.63 4.62 0.00 2.60 2.30 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 3.91 0.00 1.90 2.01 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 9 E 7.88 4.09 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 10 Q 7.63 3.89 0.00 1.26 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.20 0.00 0.00 0.00 0.00 0.00 1.90 1.16 0.00 11 W 7.96 4.93 0.00 3.41 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 4.38 0.00 2.17 2.19 0.00 3.55 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.22 0.00 13 N 8.19 4.77 0.00 2.80 2.92 0.00 0.00 6.71 7.66 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 14 C 8.08 4.95 0.00 3.10 2.92 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 15 P 0.00 4.13 0.00 2.15 2.12 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 16 T 7.95 3.91 4.22 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 1.19 0.00 0.00 17 I 7.46 4.03 1.98 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 1.57 1.00 0.96 0.00 0.00 18 K 7.76 4.21 0.00 1.92 1.86 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.38 7.81 19 E 7.91 4.18 0.00 1.94 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 2.34 2.29 0.00 20 I 8.19 4.48 1.88 0.00 0.00 0.87 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 1.07 0.91 0.00 0.00 21 R 8.41 4.56 0.00 2.15 2.16 0.00 3.29 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 22 D 8.27 4.54 0.00 2.53 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.23 2.80 0.00 1.53 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 24 G 8.23 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.24 4.44 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.43 4.59 0.00 2.88 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 27 G 8.73 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 0.00 0.00 0.00 28 S 7.60 4.53 0.00 3.92 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 29 C 8.37 3.96 0.00 3.21 3.28 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 30 W 8.42 4.30 0.00 3.66 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.71 3.66 0.20 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 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.07 3.77 0.00 3.14 3.25 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 0.00 33 G 8.42 3.69 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 0.00 0.00 0.00 34 A 7.65 4.00 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 35 V 7.91 3.61 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.61 0.00 0.00 36 E 8.20 3.89 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 37 A 7.80 4.05 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 38 I 8.20 3.65 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.64 0.87 0.00 0.00 39 S 8.19 4.06 0.00 3.95 3.86 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 40 D 8.01 4.27 0.00 2.80 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.19 3.88 0.00 1.84 1.95 0.00 3.10 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 42 I 7.68 3.70 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.56 0.88 0.00 0.00 43 C 7.74 4.36 0.00 2.94 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 44 I 7.57 3.42 1.30 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.13 0.07 0.00 0.00 45 H 7.69 4.88 0.00 3.13 3.22 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.66 4.38 0.00 3.97 4.07 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 47 N 7.82 4.45 0.00 3.01 2.98 0.00 0.00 6.29 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 48 G 8.73 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00