NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.9302 8.0249 114.2547 60.4895 38.8590 174.6920 4 K 4.1816 7.7158 122.8934 54.0924 34.1705 171.1471 5 V 4.2021 8.5729 121.3170 62.3404 34.6625 173.1099 6 R 4.6915 8.3828 125.9427 54.8756 34.0942 174.4074 7 E 4.6873 8.3350 119.5135 54.8059 32.3426 174.8444 8 N 4.5701 8.6844 120.1732 52.6032 38.7722 174.6335 9 E 3.7345 8.6953 114.4922 55.8885 26.1747 172.8286 10 P 3.9171 0.0000 0.0000 62.9093 32.0537 176.7025 11 F 4.7043 7.1260 109.9954 56.1625 40.2670 175.2863 12 D 4.7553 8.9570 126.2523 52.3951 38.0392 175.6194 13 V 4.2936 6.7579 117.9744 61.1065 33.4887 172.0348 14 A 4.8589 8.5014 124.9420 50.2574 22.2329 177.9032 15 L 4.5069 8.3326 122.1021 54.6090 37.8579 178.6693 16 R 4.0257 7.8252 120.8670 59.2816 30.4569 178.7682 17 R 4.0007 8.2337 116.7873 59.4292 30.0930 177.9713 18 F 4.0848 8.2452 120.4529 61.2808 39.2298 177.2371 19 K 4.2937 8.2149 116.8304 59.2323 32.8252 177.1593 20 R 4.6000 7.7952 118.4450 56.3475 30.1554 176.6839 21 S 4.6445 7.6226 110.4218 57.6723 62.8995 173.4233 22 C 4.6720 7.3023 119.9719 58.6675 34.4931 177.8011 23 E 4.6019 8.3334 130.3058 52.9812 30.0815 177.1448 24 K 3.3732 8.6046 127.6041 58.0580 32.1128 176.5492 25 A 4.2443 8.4357 121.5029 52.4849 18.5946 178.9013 26 G 3.9710 8.7447 105.8684 46.2269 0.0000 173.5498 27 V 4.4025 7.3494 116.6951 63.9625 34.1230 177.2341 28 L 3.9606 8.2710 121.4006 57.7632 41.6238 179.4110 29 A 4.2064 7.8242 119.3634 54.6906 18.9044 178.3713 30 E 4.1601 8.1273 116.2933 58.6531 30.7808 178.0266 31 V 4.0361 7.6958 120.2652 61.2587 29.8356 175.6005 32 R 4.7052 7.9043 116.7082 56.3198 33.8479 175.3292 33 R 4.7105 7.6923 115.5333 56.7736 30.6498 174.3077 34 R 4.3989 8.0551 126.0262 55.0892 33.4978 173.4772 35 E 3.7673 8.2369 120.4096 55.4207 30.4158 176.9563 36 F 5.0375 7.8436 121.8818 57.7685 37.9908 175.0188 37 Y 4.3461 7.5787 126.2527 61.3874 40.2962 177.4657 38 E 4.5791 8.0374 117.5476 55.7952 30.0637 175.9424 39 K 4.3131 8.4141 120.6302 57.5355 34.7241 176.1091 40 P 4.3056 0.0000 0.0000 65.9278 31.8439 178.3349 41 T 3.4728 8.0080 109.8006 64.1352 68.4984 174.8092 42 T 4.4063 7.2578 109.1754 61.0737 69.0819 174.1407 43 E 4.7911 7.5846 123.0765 58.1039 37.4300 177.0698 44 R 3.9492 8.9502 120.2731 59.1676 30.2499 178.2764 45 K 4.2369 7.8853 114.5827 57.6959 32.3974 177.9079 46 R 4.3252 8.2583 117.3459 56.4759 30.6286 177.3960 47 A 4.2582 7.6649 122.5100 54.3812 18.7503 179.9538 48 K 3.9542 8.0076 116.8642 60.0176 32.4400 179.1222 49 A 4.0045 7.9684 120.8135 54.3983 18.3718 177.9212 50 S 4.6616 7.6051 111.0747 58.7145 63.2137 174.5428 51 A 4.7088 8.1247 120.2598 51.6397 19.9696 178.1062 52 V 3.9983 7.6368 117.1376 63.4623 32.5684 176.3696 53 K 4.0036 7.7546 123.6617 57.1853 32.9079 174.3263 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 I 8.02 3.93 1.01 0.00 0.00 0.63 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 1.03 1.10 0.00 0.00 4 K 7.72 4.18 0.00 1.69 1.65 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.38 7.81 5 V 8.57 4.20 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 0.75 0.00 0.00 0.81 0.00 0.00 6 R 8.38 4.69 0.00 1.78 1.74 0.00 3.25 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 7 E 8.34 4.69 0.00 2.22 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 0.00 2.25 2.39 0.00 8 N 8.68 4.57 0.00 2.88 2.91 0.00 0.00 6.31 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 9 E 8.70 3.73 0.00 2.20 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 0.00 2.28 2.37 0.00 10 P 0.00 3.92 0.00 2.06 1.94 0.00 3.80 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 1.98 1.94 0.00 11 F 7.13 4.70 0.00 3.11 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.96 4.76 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.76 4.29 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 0.91 0.00 0.00 1.00 0.00 0.00 14 A 8.50 4.86 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 L 8.33 4.51 0.00 1.85 1.79 1.19 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.83 4.03 0.00 1.90 2.02 0.00 3.18 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 17 R 8.23 4.00 0.00 1.79 2.05 0.00 3.32 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 18 F 8.25 4.08 0.00 3.29 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 19 K 8.21 4.29 0.00 1.96 1.98 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.56 7.81 20 R 7.80 4.60 0.00 1.96 2.00 0.00 3.28 0.00 0.00 3.18 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 21 S 7.62 4.64 0.00 3.82 3.90 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 22 C 7.30 4.67 0.00 3.11 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 4.60 0.00 2.02 1.66 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 2.36 2.27 0.00 24 K 8.60 3.37 0.00 2.00 1.16 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.38 7.81 25 A 8.44 4.24 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 G 8.74 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 27 V 7.35 4.40 2.21 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 1.10 0.00 0.00 1.14 0.00 0.00 28 L 8.27 3.96 0.00 1.68 1.75 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.82 4.21 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 30 E 8.13 4.16 0.00 2.17 2.17 0.00 0.00 0.00 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 2.44 0.00 31 V 7.70 4.04 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 0.78 0.00 0.00 0.97 0.00 0.00 32 R 7.90 4.71 0.00 1.84 1.91 0.00 3.26 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 33 R 7.69 4.71 0.00 1.97 1.78 0.00 3.70 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 34 R 8.06 4.40 0.00 1.65 1.66 0.00 3.19 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.51 0.00 35 E 8.24 3.77 0.00 1.79 1.73 0.00 0.00 0.00 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 2.29 0.00 36 F 7.84 5.04 0.00 3.17 3.19 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 37 Y 7.58 4.35 0.00 2.87 3.07 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 0.00 0.00 0.00 0.00 38 E 8.04 4.58 0.00 2.06 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 2.32 0.00 39 K 8.41 4.31 0.00 1.68 1.74 0.00 1.18 0.00 0.00 1.46 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 0.88 7.81 40 P 0.00 4.31 0.00 2.26 2.35 0.00 4.04 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 41 T 8.01 3.47 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 42 T 7.26 4.41 4.20 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 1.19 0.00 0.00 43 E 7.58 4.79 0.00 2.06 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 2.21 2.29 0.00 44 R 8.95 3.95 0.00 1.80 1.96 0.00 3.14 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 45 K 7.89 4.24 0.00 2.04 1.81 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.42 7.81 46 R 8.26 4.33 0.00 1.85 1.94 0.00 3.35 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 47 A 7.66 4.26 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 48 K 8.01 3.95 0.00 2.03 2.07 0.00 1.39 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.77 7.81 49 A 7.97 4.00 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 50 S 7.61 4.66 0.00 3.99 3.87 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 0.00 0.00 0.00 51 A 8.12 4.71 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 52 V 7.64 4.00 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 0.93 0.00 0.00 53 K 7.75 4.00 0.00 1.70 1.68 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.20 1.21 7.81