NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2982 8.2644 123.5787 52.2659 20.1754 176.6455 2 K 4.2235 8.2053 117.9880 51.9003 30.0773 173.1505 3 G 4.5363 7.1248 111.1122 45.0724 0.0000 171.1349 4 I 4.2475 8.0823 125.8596 59.1718 37.1853 175.3044 5 R 4.6353 7.4377 122.6926 58.2078 37.7400 174.0851 6 E 4.2964 7.8998 116.7913 55.4893 30.5653 175.8469 7 K 4.7350 7.2521 121.1735 52.4398 31.7844 175.0218 8 I 4.6831 8.6840 124.3585 58.7271 41.7008 174.4751 9 K 4.4552 8.5758 126.4532 56.3880 32.3349 176.5542 10 L 4.4512 8.0391 123.2852 53.8607 43.2538 178.1776 11 V 3.4082 8.6028 122.3465 65.3453 31.8638 176.8072 12 S 3.5731 7.7867 108.2253 59.6684 60.7956 171.2398 13 S 4.4992 7.5792 123.4931 57.5584 65.5939 173.2188 14 A 2.0000 7.4411 131.3570 50.9658 16.7315 180.4362 15 G 3.9698 7.9315 101.1079 48.1194 0.0000 171.9269 16 T 4.0654 7.7885 110.3476 62.5398 69.7051 173.1574 17 G 3.7693 8.7909 114.5024 44.2586 0.0000 170.9620 18 H 3.5332 8.0173 120.9953 56.2903 29.0916 174.1624 19 F 4.8615 8.1873 128.8417 57.3414 40.1552 172.9749 20 Y 3.9048 8.3672 125.0949 57.9893 37.6449 174.3478 21 T 3.3326 8.3185 125.2006 63.6911 69.5191 172.0947 22 T 4.6121 8.0932 110.8404 59.3719 70.3830 172.2462 23 T 3.8633 7.9805 113.1644 61.7472 68.0552 173.6806 24 K 4.2343 8.2561 127.0048 58.4427 33.6480 174.2181 25 N 4.5738 7.9696 116.0830 53.7631 44.2878 173.3922 26 K 4.9991 8.9641 117.1737 54.7402 35.3970 176.7601 27 R 4.6766 8.3898 118.4176 55.9691 30.0253 177.0794 28 T 4.7412 7.7691 103.9248 62.8088 72.1955 173.7668 29 K 4.4955 7.5314 122.9385 54.9978 33.1198 175.1204 30 P 4.1678 0.0000 0.0000 64.1628 31.1593 174.8160 31 E 4.6218 7.9746 119.8529 54.6341 32.6492 173.9688 32 K 3.7375 7.9891 117.3639 56.0077 31.1556 175.2909 33 L 3.5552 7.3447 122.1947 55.4852 42.5769 176.6438 34 E 4.6130 8.3145 122.7024 55.5533 30.7418 174.1686 35 L 5.2839 8.0849 125.2844 53.2805 43.5986 176.2625 36 K 4.2788 8.4349 121.6768 56.0864 39.9211 174.7458 37 K 4.4644 8.9862 126.7279 56.0109 34.3325 179.1225 38 F 3.8452 9.3928 129.7723 59.2646 39.5115 171.7264 39 D 5.1129 7.1149 124.7700 52.0428 43.7893 172.8468 40 P 5.8132 0.0000 0.0000 62.5011 30.0585 179.4187 41 V 4.3129 8.4830 119.7919 61.9735 35.6471 174.5499 42 V 4.0400 7.6593 113.2614 60.8060 31.9770 176.6761 43 R 4.0816 8.3935 127.0689 57.1481 27.5883 175.3318 44 Q 4.9772 8.1291 123.5827 55.4855 31.6412 174.0795 45 H 5.1822 9.2242 119.8494 54.9101 27.5377 177.4987 46 V 3.1965 9.7355 127.5318 62.8351 32.3294 174.5143 47 I 3.0744 9.0861 119.3936 62.5956 35.6005 173.0878 48 Y 4.4491 8.6890 117.9922 61.4727 34.1611 169.1615 49 K 4.2700 7.8384 122.1917 55.2762 32.6491 178.0552 50 E 3.7792 8.5083 120.9567 55.7703 29.4178 172.4979 51 A 4.5685 7.9324 118.9456 51.0823 21.8337 175.9493 52 K 4.4351 8.5170 121.6570 55.7609 34.0591 177.1748 53 I 4.3852 7.8476 128.6046 61.2086 36.2483 175.7711 54 K 4.1270 8.6324 128.3055 57.7451 32.0612 176.6229 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 A 8.26 4.30 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 2 K 8.21 4.22 0.00 1.73 1.69 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.55 7.81 3 G 7.12 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.25 1.86 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 1.29 0.63 0.90 0.00 0.00 5 R 7.44 4.64 0.00 1.74 1.90 0.00 3.22 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 6 E 7.90 4.30 0.00 1.98 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 2.29 2.27 0.00 7 K 7.25 4.73 0.00 1.80 1.68 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.48 7.81 8 I 8.68 4.68 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 1.21 1.47 0.93 0.00 0.00 9 K 8.58 4.46 0.00 1.64 1.67 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.44 7.81 10 L 8.04 4.45 0.00 1.77 1.52 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.60 3.41 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 0.89 0.00 0.00 0.97 0.00 0.00 12 S 7.79 3.57 0.00 4.05 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.58 4.50 0.00 3.84 3.69 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 0.00 0.00 0.00 14 A 7.44 2.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 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 16 T 7.79 4.07 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 1.24 0.00 0.00 17 G 8.79 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 0.00 0.00 0.00 18 H 8.02 3.53 0.00 3.13 3.24 0.00 5.95 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.19 4.86 0.00 2.94 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 20 Y 8.37 3.90 0.00 3.01 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.32 3.33 3.73 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 0.00 0.00 0.42 0.00 0.00 22 T 8.09 4.61 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 1.11 0.00 0.00 23 T 7.98 3.86 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 1.16 0.00 0.00 24 K 8.26 4.23 0.00 1.94 1.88 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.37 7.81 25 N 7.97 4.57 0.00 2.74 2.65 0.00 0.00 7.17 6.85 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 26 K 8.96 5.00 0.00 1.71 1.72 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.43 7.81 27 R 8.39 4.68 0.00 1.92 2.03 0.00 3.01 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 28 T 7.77 4.74 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 1.25 0.00 0.00 29 K 7.53 4.50 0.00 1.71 1.55 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.35 7.81 30 P 0.00 4.17 0.00 2.03 2.05 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 31 E 7.97 4.62 0.00 2.00 1.98 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 2.16 2.25 0.00 32 K 7.99 3.74 0.00 1.91 1.76 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.40 7.81 33 L 7.34 3.56 0.00 1.59 1.85 0.93 0.82 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 34 E 8.31 4.61 0.00 2.23 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 35 L 8.08 5.28 0.00 1.66 1.60 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.43 4.28 0.00 1.65 1.44 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.47 7.81 37 K 8.99 4.46 0.00 1.56 0.83 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.68 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.30 7.81 38 F 9.39 3.85 0.00 2.94 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 7.11 5.11 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 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 5.81 0.00 2.42 1.41 0.00 3.85 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 41 V 8.48 4.31 1.95 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 0.46 0.00 0.00 0.66 0.00 0.00 42 V 7.66 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 0.69 0.00 0.00 0.97 0.00 0.00 43 R 8.39 4.08 0.00 2.01 1.72 0.00 3.32 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 44 Q 8.13 4.98 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.09 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 45 H 9.22 5.18 0.00 3.18 2.61 0.00 5.90 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 9.74 3.20 2.15 0.00 0.00 0.00 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 0.99 0.00 0.00 47 I 9.09 3.07 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.53 1.02 0.00 0.00 48 Y 8.69 4.45 0.00 3.23 3.35 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 49 K 7.84 4.27 0.00 1.71 1.83 0.00 1.82 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.41 7.81 50 E 8.51 3.78 0.00 2.18 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 0.00 2.17 2.28 0.00 51 A 7.93 4.57 1.23 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 0.00 0.00 0.00 52 K 8.52 4.44 0.00 1.74 1.75 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.51 7.81 53 I 7.85 4.39 1.87 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 1.30 0.51 0.91 0.00 0.00 54 K 8.63 4.13 0.00 1.70 1.68 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.49 7.81