NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8438 8.3549 109.7367 46.0598 0.0000 173.5057 4 I 3.3684 8.2702 131.6264 61.4899 36.4040 173.1321 5 R 4.5132 8.3499 118.9746 54.7822 32.4849 175.5439 6 E 4.4654 8.0729 120.3755 55.7290 31.4133 175.6916 7 K 4.5426 8.4488 120.8285 55.9129 33.3926 176.4256 8 I 4.7781 8.6019 124.2636 59.3585 41.2523 175.1679 9 K 5.4420 8.3479 122.6103 54.0980 34.9379 175.7341 10 L 4.9375 8.6890 126.4774 54.3354 42.7851 176.7262 11 V 4.3411 8.7725 125.1541 61.9216 32.3672 175.4021 12 S 2.9828 8.4802 122.1605 57.7974 62.6577 174.7786 13 S 3.8670 8.0721 121.2033 59.3630 63.7260 173.5275 14 A 4.5262 6.9157 125.7712 50.4062 20.8218 177.5769 15 G 3.7386 8.4107 106.1156 47.7270 0.0000 174.4693 16 T 3.9862 7.2072 110.7597 61.3713 69.1436 175.0767 17 G 3.7394 8.7687 114.8557 48.4065 0.0000 173.5107 18 H 4.0896 8.2661 118.4960 56.6135 30.2995 173.9971 19 F 5.2587 7.0436 117.9970 55.7822 40.7486 171.7092 20 Y 4.9583 8.6131 120.1882 57.0414 42.9399 174.7523 21 T 5.2092 7.8717 114.2907 61.5240 70.5692 172.3875 22 T 4.5604 8.9668 122.7516 62.0137 71.4592 171.3858 23 T 4.8819 8.1301 111.8534 60.0706 71.2449 174.3017 24 K 4.2421 7.7082 120.3015 56.2118 36.7539 173.3911 25 N 4.6979 8.3058 126.7007 52.7667 39.8358 175.1926 26 K 4.0470 8.5144 126.7263 59.6756 32.7747 178.2414 27 R 4.0946 8.0490 117.1527 59.4146 30.4017 178.3234 28 T 3.9513 8.7067 107.7661 64.1278 68.6455 174.8254 29 K 4.4000 7.5948 123.2088 54.1885 34.9631 174.3015 30 P 4.4018 0.0000 0.0000 65.1117 31.6557 177.6697 31 E 4.1124 7.9247 114.8238 55.8397 30.0808 176.7087 32 K 4.2093 8.4666 120.6271 56.7956 33.2632 176.2892 33 L 4.6404 8.4347 122.1403 53.4992 42.8739 175.7365 34 E 4.9447 8.4377 123.8015 54.3059 31.8150 176.1033 35 L 4.2278 8.5131 120.2842 55.1210 42.0218 173.3178 36 K 3.8277 8.6835 119.9765 57.5980 29.6923 174.7264 37 K 4.4386 8.3615 121.9378 53.9291 35.1159 176.7361 38 F 4.0592 8.7590 126.2385 58.7821 39.6513 173.4466 39 D 4.6443 6.0500 120.5446 51.6031 41.9470 174.8259 40 P 4.3571 0.0000 0.0000 64.5990 31.6565 177.4588 41 V 4.0222 7.5023 115.7458 62.9251 32.1612 175.8606 42 V 4.1317 6.9610 117.1137 62.0245 32.8989 176.3567 43 R 3.9425 7.5079 115.3049 57.1648 28.5597 175.2039 44 Q 4.7048 7.1953 118.0128 54.3561 33.0718 174.5175 45 H 4.8791 9.0661 121.5370 55.6145 27.5558 175.7576 46 V 3.9379 8.0374 123.8986 61.0651 33.9174 175.9289 47 I 4.5543 7.9186 122.4896 59.6247 35.5357 174.4851 48 Y 4.1761 8.2524 123.3600 58.1527 39.4780 175.3571 49 K 4.7439 8.3701 121.6916 56.2326 37.1584 170.8226 50 E 4.1022 9.8136 126.6001 56.2492 31.0448 174.9961 51 A 4.9140 8.4050 126.9974 51.1052 19.9692 176.1099 52 K 4.2229 8.3542 125.8089 56.4605 32.5975 177.3306 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 G 8.35 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 0.00 0.00 0.00 4 I 8.27 3.37 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 1.41 0.58 0.91 0.00 0.00 5 R 8.35 4.51 0.00 1.80 1.85 0.00 3.27 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 6 E 8.07 4.47 0.00 2.05 1.86 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 2.31 2.29 0.00 7 K 8.45 4.54 0.00 1.64 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.47 7.81 8 I 8.60 4.78 2.03 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 1.31 1.12 0.97 0.00 0.00 9 K 8.35 5.44 0.00 1.73 1.89 0.00 0.99 0.00 0.00 2.27 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.27 7.81 10 L 8.69 4.94 0.00 1.83 1.90 1.06 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.77 4.34 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 0.90 0.00 0.00 1.02 0.00 0.00 12 S 8.48 2.98 0.00 3.79 3.66 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 0.00 0.00 0.00 0.00 13 S 8.07 3.87 0.00 3.93 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.92 4.53 1.25 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 0.00 0.00 15 G 8.41 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.21 3.99 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 17 G 8.77 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.27 4.09 0.00 3.10 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.04 5.26 0.00 3.24 3.06 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 0.00 0.00 0.00 20 Y 8.61 4.96 0.00 3.06 2.83 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 21 T 7.87 5.21 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 22 T 8.97 4.56 4.29 0.00 0.00 0.00 0.00 0.00 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 23 T 8.13 4.88 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 1.21 0.00 0.00 24 K 7.71 4.24 0.00 1.96 1.68 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 1.22 7.81 25 N 8.31 4.70 0.00 2.77 2.66 0.00 0.00 6.82 6.26 0.00 0.00 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 K 8.51 4.05 0.00 1.98 1.81 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 27 R 8.05 4.09 0.00 1.96 1.99 0.00 3.27 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 28 T 8.71 3.95 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 1.26 0.00 0.00 29 K 7.59 4.40 0.00 1.69 1.93 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.56 7.81 30 P 0.00 4.40 0.00 2.04 2.10 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 31 E 7.92 4.11 0.00 2.08 1.96 0.00 0.00 0.00 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 2.29 0.00 32 K 8.47 4.21 0.00 1.68 1.81 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.49 7.81 33 L 8.43 4.64 0.00 1.53 1.65 0.96 0.91 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 34 E 8.44 4.94 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 2.24 2.36 0.00 35 L 8.51 4.23 0.00 1.70 1.69 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.68 3.83 0.00 1.92 1.92 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.46 7.81 37 K 8.36 4.44 0.00 0.94 0.74 0.00 1.67 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.21 0.98 7.81 38 F 8.76 4.06 0.00 2.61 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 39 D 6.05 4.64 0.00 2.91 2.93 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 40 P 0.00 4.36 0.00 2.02 2.17 0.00 3.43 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.07 0.00 41 V 7.50 4.02 2.05 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 0.76 0.00 0.00 0.91 0.00 0.00 42 V 6.96 4.13 2.14 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 0.87 0.00 0.00 0.89 0.00 0.00 43 R 7.51 3.94 0.00 2.00 2.10 0.00 3.18 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 44 Q 7.20 4.70 0.00 2.20 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 7.02 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 45 H 9.07 4.88 0.00 3.16 3.34 0.00 5.90 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.04 3.94 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 0.78 0.00 0.00 0.83 0.00 0.00 47 I 7.92 4.55 1.85 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 1.35 0.49 0.92 0.00 0.00 48 Y 8.25 4.18 0.00 2.75 2.81 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 49 K 8.37 4.74 0.00 1.80 1.89 0.00 1.40 0.00 0.00 1.56 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.36 7.81 50 E 9.81 4.10 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 51 A 8.40 4.91 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 52 K 8.35 4.22 0.00 1.83 2.12 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.34 7.81