NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2828 8.3049 120.3484 56.4648 33.5118 175.9551 2 P 4.0002 0.0000 0.0000 60.7591 31.3832 174.6510 3 R 4.8785 9.4005 125.9441 55.0276 32.2226 175.2580 4 L 4.6342 10.8200 123.9788 53.0846 44.5610 175.7532 5 K 4.9359 9.5570 124.8684 54.7863 34.1831 175.1572 6 V 5.4331 9.0485 126.9680 59.2896 34.4552 174.4603 7 K 5.8193 8.2395 121.3792 53.8227 36.7338 173.5364 8 L 4.8568 8.0474 122.6520 53.5905 43.9497 175.3873 9 V 4.3468 8.2004 117.3460 61.3605 36.2524 172.7108 10 K 3.5330 8.8462 123.4124 55.9416 29.6667 173.0460 11 S 3.9598 8.0943 115.1259 57.6866 62.9393 173.5365 12 P 4.4358 0.0000 0.0000 63.2030 30.5709 175.1058 13 I 3.8493 7.7872 120.7262 63.9174 36.5782 176.5626 14 G 3.8798 8.9504 113.9794 45.4915 0.0000 172.2690 15 Y 4.2707 8.4719 117.2940 57.2126 38.7083 173.0308 16 P 4.1215 0.0000 0.0000 60.0358 34.2904 174.4205 17 K 3.6749 9.7814 117.7491 59.4210 30.5002 179.6561 18 D 3.7787 8.8109 112.8084 53.6624 43.7151 178.5470 19 Q 3.5347 7.3485 116.0297 58.1982 29.4552 179.3280 20 K 3.6992 8.9144 119.6518 59.3955 31.6207 178.7428 21 A 3.9715 8.6576 120.6744 55.6937 17.8415 179.4245 22 A 4.1442 7.5292 118.9920 56.1280 18.3609 178.6524 23 L 4.1765 10.1959 118.1788 56.5903 41.3878 178.8038 24 K 3.9439 8.0148 124.0207 59.8571 32.6485 177.8594 25 A 4.0395 9.8755 122.7185 52.7823 17.7196 179.3632 26 L 3.8899 6.8284 122.0285 54.6461 43.4135 177.8128 27 G 4.0029 8.8483 107.3371 46.2653 0.0000 171.8185 28 L 4.7105 7.8123 120.8283 53.3073 44.0108 177.9466 29 R 4.5938 7.8882 133.2396 54.9461 28.7980 177.8380 30 R 3.8402 8.6153 125.3638 56.4615 29.9151 175.4799 31 L 4.0046 8.6224 119.4731 55.9273 43.6767 177.1934 32 Q 3.8608 7.0852 114.2528 57.5828 26.7756 173.3936 33 Q 4.7480 7.8143 121.2393 54.9878 33.5310 174.2972 34 E 5.2795 8.6253 120.2946 54.6246 32.1730 175.9396 35 R 4.8537 9.0969 122.2258 54.6099 34.9510 174.5554 36 V 5.6010 8.0484 112.0652 59.5302 35.8512 174.5625 37 L 4.5538 7.9833 121.1271 54.0092 46.4915 174.0705 38 E 4.3862 8.8760 119.3233 56.3924 29.9701 176.9928 39 D 3.8982 9.9455 121.4072 55.1910 39.4960 178.1392 40 T 3.2689 8.2190 115.3110 61.4416 65.2321 170.8838 41 P 4.1890 0.0000 0.0000 65.5482 33.1141 178.4006 42 A 4.0865 8.5936 110.6691 54.6106 17.7451 179.7490 43 I 3.5019 8.3684 122.8055 64.8778 37.2026 176.2524 44 R 3.8227 8.4064 117.3633 57.6611 29.8178 180.4272 45 G 3.6743 10.9969 95.2168 46.3812 0.0000 176.8182 46 N 3.3135 9.0537 116.4540 52.5635 41.9381 174.1749 47 V 3.4124 7.2078 120.9164 66.6102 32.5035 177.4136 48 E 3.7565 8.9692 116.5817 59.7692 28.8456 179.4434 49 K 4.1522 7.8729 122.3005 58.6676 32.9455 178.7177 50 V 3.3565 8.3414 111.6140 63.5350 31.9120 178.4084 51 A 3.8054 12.0000 115.1986 51.8770 21.2737 181.4336 52 H 3.8850 8.2878 115.9793 60.3584 29.7391 175.7835 53 L 4.0169 10.1257 122.1544 56.6062 43.2251 176.5582 54 V 4.4967 6.7967 112.9150 60.8260 40.0518 176.6807 55 R 4.5944 8.6413 130.3144 55.5712 33.1057 172.1915 56 V 4.6346 8.4656 125.7040 61.3278 33.6909 174.3484 57 E 4.6310 8.5109 126.5100 54.3299 33.1822 174.5088 58 V 4.0436 8.5226 127.0077 61.9525 31.5482 174.4167 59 V 4.3807 9.8142 134.7483 61.3126 34.4178 175.2301 60 E 4.7204 8.7922 117.8017 57.1197 30.3659 176.2163 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 M 8.30 4.28 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 2 P 0.00 4.00 0.00 2.20 2.00 0.00 3.63 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 2.11 2.17 0.00 3 R 9.40 4.88 0.00 1.92 1.84 0.00 3.10 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 4 L 10.82 4.63 0.00 1.59 1.55 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.56 4.94 0.00 1.73 1.72 0.00 1.60 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.34 7.81 6 V 9.05 5.43 2.07 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 0.83 0.00 0.00 0.90 0.00 0.00 7 K 8.24 5.82 0.00 1.80 1.66 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.36 7.81 8 L 8.05 4.86 0.00 1.86 1.50 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.20 4.35 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 0.56 0.00 0.00 0.95 0.00 0.00 10 K 8.85 3.53 0.00 1.77 1.66 0.00 1.72 0.00 0.00 1.40 0.00 0.00 2.63 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.03 1.30 7.81 11 S 8.09 3.96 0.00 3.89 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 4.44 0.00 2.32 2.24 0.00 3.76 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 2.10 1.99 0.00 13 I 7.79 3.85 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.96 0.00 0.00 14 G 8.95 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 0.00 0.00 0.00 15 Y 8.47 4.27 0.00 3.03 2.97 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 16 P 0.00 4.12 0.00 2.24 1.90 0.00 3.98 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 2.13 2.20 0.00 17 K 9.78 3.67 0.00 1.83 1.24 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.54 7.81 18 D 8.81 3.78 0.00 2.84 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.35 3.53 0.00 2.44 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.63 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 20 K 8.91 3.70 0.00 1.89 1.88 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.37 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.66 7.81 21 A 8.66 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 22 A 7.53 4.14 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 10.20 4.18 0.00 1.64 1.59 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.01 3.94 0.00 1.75 1.86 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.52 7.81 25 A 9.88 4.04 1.30 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 0.00 0.00 26 L 6.83 3.89 0.00 1.66 1.73 0.91 1.05 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 27 G 8.85 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 L 7.81 4.71 0.00 1.65 1.56 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.89 4.59 0.00 1.79 1.46 0.00 3.42 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 30 R 8.62 3.84 0.00 1.91 2.01 0.00 3.20 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 31 L 8.62 4.00 0.00 1.70 1.62 0.92 0.51 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 32 Q 7.09 3.86 0.00 2.24 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 33 Q 7.81 4.75 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 34 E 8.63 5.28 0.00 1.84 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 35 R 9.10 4.85 0.00 1.65 1.75 0.00 3.22 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 36 V 8.05 5.60 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 0.86 0.00 0.00 0.93 0.00 0.00 37 L 7.98 4.55 0.00 1.55 1.53 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.88 4.39 0.00 1.83 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 2.29 2.36 0.00 39 D 9.95 3.90 0.00 2.63 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.22 3.27 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 1.30 0.00 0.00 41 P 0.00 4.19 0.00 2.21 2.12 0.00 3.68 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 2.12 2.12 0.00 42 A 8.59 4.09 1.03 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 43 I 8.37 3.50 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 1.30 0.74 0.91 0.00 0.00 44 R 8.41 3.82 0.00 2.09 1.99 0.00 3.28 0.00 0.00 3.22 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 45 G 11.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 9.05 3.31 0.00 2.88 2.68 0.00 0.00 6.49 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 47 V 7.21 3.41 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 0.89 0.00 0.00 0.95 0.00 0.00 48 E 8.97 3.76 0.00 2.16 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 0.00 2.19 2.49 0.00 49 K 7.87 4.15 0.00 1.72 2.05 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.54 7.81 50 V 8.34 3.36 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 0.80 0.00 0.00 1.54 0.00 0.00 51 A 12.00 3.81 1.19 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 0.00 0.00 0.00 52 H 8.29 3.89 0.00 3.22 3.46 0.00 5.77 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 53 L 10.13 4.02 0.00 1.74 1.63 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 54 V 6.80 4.50 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 0.70 0.00 0.00 0.92 0.00 0.00 55 R 8.64 4.59 0.00 1.86 1.69 0.00 3.06 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 56 V 8.47 4.63 2.07 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 0.81 0.00 0.00 0.92 0.00 0.00 57 E 8.51 4.63 0.00 2.04 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 2.18 2.22 0.00 58 V 8.52 4.04 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 0.79 0.00 0.00 0.93 0.00 0.00 59 V 9.81 4.38 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 0.83 0.00 0.00 0.94 0.00 0.00 60 E 8.79 4.72 0.00 1.99 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00