NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3581 8.2649 123.5882 52.0323 19.7595 175.8603 3 R 4.4798 7.3551 121.6098 52.9411 33.0175 176.0247 4 K 3.8552 9.2526 124.8035 59.8322 33.2935 178.0740 5 A 3.9135 8.2401 119.5442 55.5348 18.1064 178.1613 6 L 4.5033 8.3045 112.9194 55.1200 42.0203 177.9328 7 I 4.4648 8.1730 120.3694 60.4582 36.5936 175.7166 8 E 4.4781 7.6338 116.4156 55.8623 30.7349 178.2975 9 K 3.5280 7.8405 121.3268 59.5232 32.3312 177.4825 10 A 4.1120 7.7879 120.1209 53.6700 18.4532 178.5512 11 K 4.1462 7.9319 114.4703 56.4710 32.6328 178.8770 12 R 3.6458 7.1289 118.0471 56.8073 29.8818 179.5536 13 T 3.5966 7.4034 117.5265 64.9913 65.2358 171.3806 14 P 4.3906 0.0000 0.0000 62.6236 32.7003 179.3422 15 K 3.7423 8.7135 122.2316 57.1228 32.5426 175.9287 16 F 4.7919 8.9156 117.4837 56.0022 43.0933 174.9706 17 K 4.2853 8.8841 123.3752 58.3339 32.2492 177.9009 18 V 3.9634 7.6999 112.5226 63.1535 31.9707 176.7766 19 R 4.3845 7.8681 117.2402 56.1478 30.0434 176.3736 20 A 4.3113 7.7965 121.7443 51.9811 19.2641 177.4521 21 Y 4.5578 8.4249 119.5914 57.8331 39.0706 177.2962 22 T 2.9261 7.5689 112.6687 58.3256 72.5030 169.6010 23 R 3.9768 7.9299 128.6373 54.2694 30.4679 175.9417 24 C 4.5467 8.2928 121.3468 59.5046 32.2068 173.7041 25 V 4.0882 8.4824 126.4587 61.4940 31.6455 176.1608 26 R 4.7474 7.7547 120.4296 58.0635 36.3485 174.7139 27 C 4.6910 7.9591 108.8480 56.6041 30.9858 174.8875 28 G 3.9472 7.9856 107.2023 45.1915 0.0000 173.6937 29 R 4.1249 7.7443 121.1041 56.0416 28.3573 176.1182 30 A 4.2733 8.3179 125.0750 54.6057 18.9379 179.1976 31 R 4.0686 7.2527 112.6322 59.7189 30.8705 177.3368 32 S 4.7761 7.6005 112.3560 56.8063 62.4007 175.2242 33 V 4.4868 7.8241 113.1804 62.4164 32.5744 177.4383 34 Y 4.2737 9.6116 124.3265 57.9588 39.2127 177.1668 35 R 3.9169 8.9272 122.2155 59.5104 30.5551 178.8608 36 F 3.9870 8.3326 118.1958 60.3074 39.4401 175.5614 37 F 4.9477 8.3994 116.5163 56.7015 41.3152 176.9795 38 G 4.1570 8.5692 107.7558 45.3123 0.0000 173.0262 39 L 4.8872 7.4979 118.6852 53.1653 43.6468 175.8936 40 C 4.9849 8.2610 115.8280 57.0321 30.7937 174.5338 41 R 3.7955 8.5063 117.7456 60.2003 28.4640 178.7110 42 I 3.7960 7.7086 119.8047 64.0977 37.3423 177.5636 43 C 4.1392 7.9993 116.7254 62.9944 28.1013 175.8053 44 L 3.5841 7.9534 121.8090 58.3132 41.2969 179.2116 45 R 3.7209 7.1668 116.1783 59.1426 30.1525 177.9973 46 E 4.1103 8.4366 118.7949 59.6042 29.5559 179.4331 47 L 3.9497 8.3149 119.0415 57.6783 41.4142 179.4426 48 A 3.9237 7.6886 119.8696 55.3976 18.2706 179.1001 49 H 4.4286 7.5984 114.0357 58.7061 28.8255 177.7353 50 K 4.2143 7.8041 119.5049 58.1838 32.4705 177.9003 51 G 4.1117 8.1804 105.8534 45.5519 0.0000 174.5160 52 Q 4.1600 7.9039 116.6123 56.2386 29.0251 176.2861 53 L 4.4915 7.2600 119.9702 51.3539 41.3279 172.4634 54 P 4.2768 0.0000 0.0000 63.8375 30.9389 176.5564 55 G 3.9696 8.8454 112.0042 46.6846 0.0000 173.9048 56 V 4.1916 7.5133 120.0996 60.6551 30.6298 174.8309 57 R 4.2957 7.7618 124.4702 54.6361 31.7614 175.0875 58 K 4.2875 8.2962 118.4248 55.2099 32.8464 177.2399 59 A 4.4084 8.5234 126.4426 51.5039 19.3507 176.5117 60 S 5.1296 8.4909 115.7481 58.1673 64.7812 177.1545 61 W 4.2731 8.3009 123.2685 57.3876 27.1944 174.0583 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 2 A 8.26 4.36 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.36 4.48 0.00 1.97 1.84 0.00 3.19 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 4 K 9.25 3.86 0.00 1.82 1.90 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.50 7.81 5 A 8.24 3.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.30 4.50 0.00 1.77 1.79 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.17 4.46 1.96 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 1.39 0.96 0.90 0.00 0.00 8 E 7.63 4.48 0.00 2.14 2.33 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 2.33 2.31 0.00 9 K 7.84 3.53 0.00 0.99 1.59 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.74 0.77 7.81 10 A 7.79 4.11 1.26 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 0.00 0.00 0.00 11 K 7.93 4.15 0.00 1.95 1.85 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.44 7.81 12 R 7.13 3.65 0.00 1.86 1.77 0.00 3.32 0.00 0.00 3.20 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 13 T 7.40 3.60 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 1.17 0.00 0.00 14 P 0.00 4.39 0.00 2.53 2.37 0.00 3.75 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 1.95 0.00 15 K 8.71 3.74 0.00 1.77 1.46 0.00 1.83 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.56 1.18 7.81 16 F 8.92 4.79 0.00 2.96 2.90 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 0.00 0.00 0.00 0.00 17 K 8.88 4.29 0.00 1.89 1.96 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.52 7.81 18 V 7.70 3.96 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 0.76 0.00 0.00 0.97 0.00 0.00 19 R 7.87 4.38 0.00 1.98 2.10 0.00 3.59 0.00 0.00 3.36 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 20 A 7.80 4.31 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 21 Y 8.42 4.56 0.00 3.04 2.91 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 0.00 0.00 0.00 0.00 22 T 7.57 2.93 4.32 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 1.26 0.00 0.00 23 R 7.93 3.98 0.00 1.96 2.01 0.00 3.48 0.00 0.00 3.43 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.42 0.00 24 C 8.29 4.55 0.00 3.19 2.96 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 0.00 0.00 0.00 25 V 8.48 4.09 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 0.79 0.00 0.00 0.95 0.00 0.00 26 R 7.75 4.75 0.00 1.76 1.93 0.00 3.17 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 27 C 7.96 4.69 0.00 3.07 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 28 G 7.99 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 0.00 0.00 0.00 29 R 7.74 4.12 0.00 1.93 1.92 0.00 3.27 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 30 A 8.32 4.27 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.25 4.07 0.00 1.78 2.02 0.00 3.33 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 32 S 7.60 4.78 0.00 3.99 4.02 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 0.00 0.00 0.00 33 V 7.82 4.49 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 0.84 0.00 0.00 1.04 0.00 0.00 34 Y 9.61 4.27 0.00 3.20 3.13 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 0.00 0.00 0.00 35 R 8.93 3.92 0.00 1.94 2.01 0.00 3.17 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 36 F 8.33 3.99 0.00 2.85 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.40 4.95 0.00 3.35 2.99 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 0.00 0.00 0.00 38 G 8.57 4.16 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 0.00 0.00 0.00 39 L 7.50 4.89 0.00 1.81 1.57 0.82 0.77 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 40 C 8.26 4.98 0.00 3.18 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 41 R 8.51 3.80 0.00 2.18 2.48 0.00 2.80 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 42 I 7.71 3.80 1.87 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 1.65 0.52 0.91 0.00 0.00 43 C 8.00 4.14 0.00 2.94 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 44 L 7.95 3.58 0.00 1.43 1.64 0.45 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.17 3.72 0.00 1.87 2.08 0.00 3.31 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 46 E 8.44 4.11 0.00 2.09 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 2.32 2.48 0.00 47 L 8.31 3.95 0.00 1.55 1.63 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.69 3.92 1.21 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 0.00 0.00 49 H 7.60 4.43 0.00 3.30 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.80 4.21 0.00 1.84 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.68 7.81 51 G 8.18 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.90 4.16 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 53 L 7.26 4.49 0.00 1.75 1.59 0.22 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.28 0.00 2.23 2.18 0.00 4.03 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 55 G 8.85 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 0.00 0.00 0.00 56 V 7.51 4.19 2.18 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 0.79 0.00 0.00 1.18 0.00 0.00 57 R 7.76 4.30 0.00 1.83 1.86 0.00 3.29 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 58 K 8.30 4.29 0.00 1.82 1.77 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.40 7.81 59 A 8.52 4.41 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.49 5.13 0.00 3.93 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 61 W 8.30 4.27 0.00 3.36 3.03 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