NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 M 4.4079 8.3044 120.3481 55.6757 34.3924 176.4381 21 D 4.1395 7.9316 117.7347 54.0796 41.5334 176.0126 22 N 4.4630 9.0367 115.5178 53.5341 39.2891 173.2771 23 R 4.1881 7.6104 116.5193 56.6404 30.7583 175.9679 24 Q 4.5366 8.9627 122.9230 54.0235 32.1792 174.5834 25 F 5.0143 8.6447 121.2110 56.1720 40.5412 174.9035 26 L 4.8299 9.2663 127.5101 53.2262 44.0938 175.0160 27 S 5.3042 8.7937 120.9650 56.4397 65.5063 173.1968 28 L 4.9361 9.1664 125.5630 53.4759 45.2239 175.2066 29 T 4.7497 8.8459 115.7151 60.6538 71.2568 174.3727 30 G 3.7812 8.9119 110.0573 45.8119 0.0000 173.6917 31 V 4.0064 8.0191 121.3027 61.3793 31.0416 176.5269 32 S 4.3254 8.6202 123.4399 60.7157 64.0271 174.4538 33 K 4.7734 8.2486 119.9252 54.5085 35.9458 175.2096 34 V 4.4441 8.3147 124.7321 60.9767 32.7750 175.2861 35 Q 4.3854 9.2882 123.8859 57.6562 29.3384 175.8586 36 S 4.6671 7.8130 112.4605 56.5719 66.4504 171.8754 37 F 5.0166 8.9817 128.3309 56.5298 41.0525 173.5469 38 D 4.5729 8.1691 125.4007 51.6213 44.0767 174.3764 39 P 4.6965 0.0000 0.0000 62.9372 31.6538 177.1281 40 K 4.3784 8.2477 120.4643 55.8595 34.7839 175.4064 41 E 4.8956 8.4347 121.4540 55.8367 32.8934 173.4968 42 I 4.6691 8.9050 129.4491 59.5584 39.8617 174.8048 43 L 5.1426 8.9066 127.2193 53.0731 44.1334 175.3308 44 L 4.9267 8.5460 124.3698 52.7339 45.1324 175.6700 45 E 4.6182 9.3855 125.4304 55.7274 30.6181 174.2940 46 T 5.0545 8.6666 123.9483 60.4328 70.9045 173.6440 47 I 3.7102 8.8721 121.1422 65.0228 36.9790 177.3568 48 Q 4.4036 8.4929 115.1392 56.1039 29.7991 177.2681 49 G 3.7898 6.8362 105.9927 45.4429 0.0000 171.4060 50 V 4.5828 7.9576 123.4527 61.4285 33.1395 176.2082 51 L 4.1841 8.7099 131.0508 53.9442 43.5764 175.3693 52 S 4.8717 9.0866 124.2880 57.3648 64.2713 173.3522 53 I 4.5404 8.8420 127.7728 59.8032 38.5099 175.0340 54 K 4.8418 8.9132 128.9048 53.9380 34.7128 176.0093 55 G 4.0772 7.3657 113.2382 46.3325 0.0000 171.2455 56 E 4.4207 8.1239 122.1358 55.2101 33.0182 176.1119 57 K 3.6861 8.3950 125.3668 57.6710 30.0948 175.7963 58 L 4.4688 8.4663 124.2479 53.5481 40.6087 177.6814 59 G 4.2425 8.4432 109.1835 44.5583 0.0000 171.3491 60 I 4.6601 8.4763 115.5987 60.2716 38.4113 175.9288 61 K 4.2756 9.3095 126.2797 59.7900 32.4243 176.5120 62 H 4.5453 8.7060 116.0037 55.4293 31.2708 175.4527 63 L 4.1596 8.3496 114.2180 54.8902 39.4533 176.0479 64 D 4.5744 7.8504 123.3823 53.4329 43.3936 175.5913 65 L 4.2149 8.5480 123.9953 55.7463 42.5626 175.0656 66 K 4.0415 7.5250 116.4696 57.6400 32.4053 177.6132 67 A 3.6907 9.1907 123.2567 52.1733 16.7663 178.3555 68 G 4.2671 8.1696 103.9082 45.6081 0.0000 172.6437 69 Q 5.0340 7.8384 120.1128 53.8327 32.5513 174.2928 70 V 4.8937 8.9867 125.3876 61.2627 34.9828 173.6421 71 E 5.1854 10.6697 128.7555 54.7586 31.9194 175.4750 72 V 5.1165 9.2745 118.2054 59.3664 35.6066 174.5152 73 E 4.9917 10.4644 121.9873 53.6870 32.9032 175.7850 74 G 4.4812 7.0913 107.6525 46.2454 0.0000 171.7041 75 L 4.7088 8.2029 121.2221 53.0868 40.7402 176.1696 76 I 4.0973 7.8944 116.0846 61.1951 38.1733 175.2981 77 D 4.7420 9.1812 124.9230 55.8502 42.3985 175.8698 78 A 4.6375 7.4629 117.0934 51.0952 22.7976 174.5789 79 L 5.1581 8.4528 118.4318 52.9101 45.2099 176.5067 80 V 4.3068 8.9998 123.9105 61.3549 33.6867 173.8563 81 Y 5.1185 8.5036 129.1981 55.0845 40.9439 173.0977 82 P 4.5130 0.0000 0.0000 61.8422 32.8971 177.2836 83 L 4.0468 8.4131 124.1367 55.4138 41.7159 177.7431 84 E 3.8331 7.9532 119.3448 57.2446 28.6490 174.7144 85 H 4.8183 8.7999 120.0209 57.1276 30.3051 175.8653 86 H 4.6673 7.4504 118.9045 56.2654 28.9561 176.2349 87 H 3.7658 8.3360 125.4276 55.7734 28.1389 175.8293 88 H 4.3557 9.2728 127.7333 58.1182 26.8450 174.4855 89 H 4.3230 8.0197 117.0884 56.4127 27.7463 174.8589 90 H 4.3364 8.4116 123.3499 56.4087 29.6904 173.0495 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 20 M 8.30 4.41 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 21 D 7.93 4.14 0.00 2.87 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.04 4.46 0.00 2.86 2.92 0.00 0.00 6.97 7.62 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 23 R 7.61 4.19 0.00 1.78 1.47 0.00 3.19 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 24 Q 8.96 4.54 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 25 F 8.64 5.01 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 26 L 9.27 4.83 0.00 1.71 1.54 0.95 0.66 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 27 S 8.79 5.30 0.00 3.90 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 28 L 9.17 4.94 0.00 1.73 1.51 0.98 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.85 4.75 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 1.23 0.00 0.00 30 G 8.91 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.02 4.01 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 0.98 0.00 0.00 0.97 0.00 0.00 32 S 8.62 4.33 0.00 3.92 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.25 4.77 0.00 1.84 1.77 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.38 7.81 34 V 8.31 4.44 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 0.73 0.00 0.00 1.03 0.00 0.00 35 Q 9.29 4.39 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 36 S 7.81 4.67 0.00 3.86 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.98 5.02 0.00 2.99 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.17 4.57 0.00 2.52 2.46 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 39 P 0.00 4.70 0.00 2.01 1.94 0.00 3.73 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.77 0.00 40 K 8.25 4.38 0.00 1.75 1.83 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.57 7.81 41 E 8.43 4.90 0.00 1.98 1.69 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 2.17 2.25 0.00 42 I 8.90 4.67 1.85 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.71 0.98 0.00 0.00 43 L 8.91 5.14 0.00 1.66 1.55 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.55 4.93 0.00 1.52 1.50 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 45 E 9.39 4.62 0.00 1.96 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 2.26 2.39 0.00 46 T 8.67 5.05 4.21 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 1.18 0.00 0.00 47 I 8.87 3.71 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.70 0.96 0.00 0.00 48 Q 8.49 4.40 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.17 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 49 G 6.84 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.96 4.58 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 0.75 0.00 0.00 0.93 0.00 0.00 51 L 8.71 4.18 0.00 1.10 1.27 0.71 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.09 4.87 0.00 3.75 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.84 4.54 1.84 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 1.08 0.62 0.89 0.00 0.00 54 K 8.91 4.84 0.00 1.79 1.76 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.32 7.81 55 G 7.37 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.12 4.42 0.00 1.91 1.71 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 0.00 2.15 2.20 0.00 57 K 8.40 3.69 0.00 1.94 1.71 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.42 7.81 58 L 8.47 4.47 0.00 1.54 1.48 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.44 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 0.00 0.00 0.00 0.00 60 I 8.48 4.66 2.24 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.71 1.15 0.00 0.00 61 K 9.31 4.28 0.00 1.88 1.80 0.00 1.83 0.00 0.00 1.93 0.00 0.00 3.15 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.38 7.81 62 H 8.71 4.55 0.00 3.21 3.13 0.00 5.61 0.00 0.00 0.00 0.00 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.35 4.16 0.00 1.54 1.61 0.91 0.93 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 64 D 7.85 4.57 0.00 2.66 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.55 4.21 0.00 1.83 1.76 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.53 4.04 0.00 1.77 1.68 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.35 7.81 67 A 9.19 3.69 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.17 4.27 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 0.00 69 Q 7.84 5.03 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 70 V 8.99 4.89 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 1.01 0.00 0.00 0.98 0.00 0.00 71 E 10.67 5.19 0.00 1.82 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 2.30 0.00 72 V 9.27 5.12 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 0.90 0.00 0.00 1.01 0.00 0.00 73 E 10.46 4.99 0.00 1.73 2.19 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 2.34 2.50 0.00 74 G 7.09 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 0.00 0.00 0.00 0.00 75 L 8.20 4.71 0.00 1.56 1.58 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.89 4.10 1.85 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 1.18 0.50 0.87 0.00 0.00 77 D 9.18 4.74 0.00 2.62 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.46 4.64 1.20 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 79 L 8.45 5.16 0.00 1.52 1.57 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 80 V 9.00 4.31 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 0.89 0.00 0.00 0.94 0.00 0.00 81 Y 8.50 5.12 0.00 2.94 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 82 P 0.00 4.51 0.00 2.08 2.05 0.00 4.07 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 83 L 8.41 4.05 0.00 1.61 1.52 0.73 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.95 3.83 0.00 2.21 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 2.42 2.31 0.00 85 H 8.80 4.82 0.00 3.09 3.29 0.00 5.72 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 H 7.45 4.67 0.00 3.24 3.34 0.00 5.98 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.34 3.77 0.00 3.20 2.52 0.00 5.88 0.00 0.00 0.00 0.00 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 9.27 4.36 0.00 3.31 3.38 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 H 8.02 4.32 0.00 3.15 3.32 0.00 5.70 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.41 4.34 0.00 3.03 3.09 0.00 5.95 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00