NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4659 8.3044 118.1955 55.0651 32.4385 173.4276 2 K 4.3490 8.4012 118.6323 55.1246 35.3140 175.2955 3 R 4.7606 8.5861 126.8290 55.4066 33.3245 174.3908 4 T 4.3895 8.5355 110.9502 62.7718 68.9156 175.2041 5 F 4.7631 8.0676 121.9057 56.2516 41.9837 173.8164 6 Q 4.6045 7.0260 123.9985 53.1762 32.7709 172.9415 7 P 4.3248 0.0000 0.0000 63.5103 31.6793 176.2016 8 S 4.5463 8.4246 115.4085 57.3189 65.1926 174.3941 9 V 4.3112 8.4356 118.6714 61.2686 32.8589 175.7977 10 L 4.5960 7.2919 119.2459 54.0925 41.6039 176.8406 11 K 4.4263 7.6424 116.7448 57.4238 37.3084 176.9958 12 R 3.8039 7.3933 121.1292 59.8369 30.2843 178.0942 13 N 4.4335 8.2417 114.3911 55.6128 38.8277 176.0794 14 R 4.9883 7.5205 116.7646 56.1914 30.7559 176.8970 15 S 4.6285 7.7960 113.8945 59.2754 65.3843 175.5312 16 H 4.7532 7.6896 110.6670 56.0456 30.4776 173.7956 17 G 3.9452 7.8952 111.2557 45.2820 0.0000 174.4356 18 F 4.1954 9.1054 120.1783 61.2946 39.7460 175.7889 19 R 4.1527 7.6651 119.1466 53.2971 28.3479 175.7292 20 A 4.4879 7.7363 117.3174 52.5515 23.3724 177.4969 21 R 4.6711 7.8407 112.1996 56.6203 34.1228 176.4653 22 M 4.0146 8.2706 117.4957 58.1212 32.0749 177.3734 23 A 4.0027 8.0804 120.3087 54.7337 18.9420 177.3055 24 T 4.5737 7.5221 109.2547 60.0719 69.2665 175.3746 25 K 4.0725 8.4732 126.1566 59.1311 33.1602 177.9294 26 N 4.7372 8.0128 114.9375 53.4629 39.2433 176.0416 27 G 4.0629 7.7341 104.1372 44.4923 0.0000 174.2906 28 R 4.5288 7.5977 119.3132 56.3222 30.4229 178.1084 29 Q 3.9948 7.7581 120.3509 58.8076 28.5777 178.4176 30 V 3.5685 7.2786 118.0516 66.0037 31.3937 177.5701 31 L 4.2990 7.7591 115.9997 55.8798 41.6351 178.1781 32 A 4.2032 7.6274 120.1143 53.7167 19.1044 178.6864 33 R 4.3638 7.8978 114.3252 56.5417 30.5908 177.1442 34 R 4.5442 7.6544 117.2800 55.9161 31.4793 176.1953 35 R 4.7550 7.0566 115.9918 53.6216 29.7730 175.1514 36 A 4.6886 7.0675 120.3390 52.1079 21.9298 177.3274 37 K 4.4205 7.1286 113.8586 55.2595 35.6352 177.2603 38 G 4.1380 7.7312 105.4469 46.3169 0.0000 174.1141 39 R 4.0354 7.2077 115.0349 55.5936 30.7594 177.3098 40 A 4.1200 8.6143 124.8710 55.0562 18.6990 178.8876 41 R 4.1003 7.7680 111.7321 56.2353 29.6371 174.7886 42 L 4.5953 7.9091 120.5056 54.2572 45.5391 176.1667 43 T 4.3069 8.0165 110.3701 61.1079 70.2961 174.9119 44 V 3.1823 8.0872 118.9367 63.6501 28.8743 169.5935 45 S 4.6092 7.3179 114.5673 57.2526 67.5073 175.1640 46 K 4.1216 8.5547 119.5841 57.2347 31.7277 177.2279 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 4.47 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 2 K 8.40 4.35 0.00 1.73 1.67 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.59 7.81 3 R 8.59 4.76 0.00 1.87 1.92 0.00 3.41 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 4 T 8.54 4.39 4.28 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 1.31 0.00 0.00 5 F 8.07 4.76 0.00 3.09 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 6 Q 7.03 4.60 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.61 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 7 P 0.00 4.32 0.00 2.03 2.04 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 8 S 8.42 4.55 0.00 3.71 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.44 4.31 2.10 0.00 0.00 0.00 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 0.94 0.00 0.00 10 L 7.29 4.60 0.00 1.71 1.67 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.64 4.43 0.00 1.88 1.97 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.40 7.81 12 R 7.39 3.80 0.00 1.88 2.00 0.00 3.38 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 13 N 8.24 4.43 0.00 2.81 2.90 0.00 0.00 6.78 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 R 7.52 4.99 0.00 1.73 1.90 0.00 3.11 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 15 S 7.80 4.63 0.00 3.73 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 7.69 4.75 0.00 3.20 3.37 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.90 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 18 F 9.11 4.20 0.00 2.96 3.01 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 0.00 19 R 7.67 4.15 0.00 1.90 1.85 0.00 3.55 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 20 A 7.74 4.49 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 21 R 7.84 4.67 0.00 1.76 2.07 0.00 3.54 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 22 M 8.27 4.01 0.00 1.72 1.85 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 23 A 8.08 4.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.52 4.57 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 1.24 0.00 0.00 25 K 8.47 4.07 0.00 1.96 2.03 0.00 1.53 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.44 7.81 26 N 8.01 4.74 0.00 2.76 3.00 0.00 0.00 6.78 7.60 0.00 0.00 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 7.73 4.06 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 0.00 0.00 0.00 28 R 7.60 4.53 0.00 1.96 1.93 0.00 3.09 0.00 0.00 3.13 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 2.07 0.00 29 Q 7.76 3.99 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 30 V 7.28 3.57 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.93 0.00 0.00 31 L 7.76 4.30 0.00 1.72 1.69 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.63 4.20 1.41 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 0.00 0.00 33 R 7.90 4.36 0.00 2.00 1.97 0.00 3.11 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 34 R 7.65 4.54 0.00 1.89 1.90 0.00 3.15 0.00 0.00 3.38 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 35 R 7.06 4.75 0.00 1.88 1.86 0.00 3.23 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 36 A 7.07 4.69 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 37 K 7.13 4.42 0.00 1.80 1.77 0.00 1.86 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.55 7.81 38 G 7.73 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.21 4.04 0.00 1.89 2.01 0.00 3.16 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 40 A 8.61 4.12 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 41 R 7.77 4.10 0.00 1.91 1.94 0.00 2.96 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 42 L 7.91 4.60 0.00 1.61 1.52 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.02 4.31 4.48 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 1.32 0.00 0.00 44 V 8.09 3.18 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 0.87 0.00 0.00 45 S 7.32 4.61 0.00 3.87 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 46 K 8.55 4.12 0.00 1.71 1.71 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.42 7.81