NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.5928 8.4449 120.3849 56.2658 30.8828 172.4355 3 Y 4.5676 7.1486 115.2518 56.8079 38.8687 172.1168 4 E 4.1836 9.3399 122.8549 56.6459 31.1160 175.9806 5 E 4.6380 8.5640 120.2979 54.8384 33.7945 175.0526 6 G 3.9084 8.7117 105.8749 43.7505 0.0000 171.4457 7 P 4.2945 0.0000 0.0000 64.1358 31.4886 177.4667 8 G 3.8926 8.9685 110.3940 45.4857 0.0000 173.6517 9 K 4.4530 7.7694 116.6537 55.6858 34.0645 176.0134 10 N 4.8693 7.8779 116.0500 52.4509 38.0107 174.6856 11 I 4.4744 7.0772 110.2241 59.6351 40.6220 172.8390 12 P 4.5062 0.0000 0.0000 62.7523 31.6572 175.5210 13 F 4.9650 6.9377 113.2807 54.7859 40.4742 174.7274 14 S 4.2482 8.5976 116.9044 58.5121 62.7384 174.2598 15 V 4.4308 8.0557 119.6445 61.1740 32.0937 176.4412 16 E 3.9891 8.0991 123.3199 58.3765 29.6883 176.6965 17 N 4.9481 7.8644 117.4353 51.0306 41.1666 174.8373 18 K 3.8289 8.3479 125.2035 58.8098 32.7218 178.7928 19 W 4.5847 7.8013 119.9632 59.0678 29.5982 178.2769 20 R 3.9880 8.7190 119.0235 59.1663 29.4319 178.2920 21 L 3.9174 8.2104 120.5179 57.9308 42.0139 178.3998 22 L 3.9352 7.8783 120.1105 58.3533 42.0069 178.7737 23 A 4.0366 8.1684 120.2796 55.5312 18.3451 179.4711 24 M 3.9925 8.1570 117.1182 58.9433 32.0797 178.9735 25 M 3.9829 8.3321 119.0750 58.5625 32.1076 178.5681 26 T 3.9733 8.2233 116.0950 67.1412 68.7460 176.3824 27 L 4.0477 8.0863 120.3377 58.0433 41.4909 179.1795 28 F 4.1140 8.1926 120.8160 61.0675 39.2903 177.2622 29 F 4.3619 8.3042 117.2334 60.5333 38.8883 177.9555 30 G 3.8076 8.3825 105.6486 47.9822 0.0000 175.8595 31 S 4.3330 8.3168 116.7407 60.8602 62.8928 176.9096 32 G 3.4932 7.5628 108.6763 47.7020 0.0000 175.0336 33 F 4.3842 8.3053 122.3797 60.9851 39.7638 176.7129 34 A 4.5242 8.6227 119.9258 54.5366 18.2422 179.2385 35 A 4.0706 7.9552 119.3659 55.3012 18.3676 178.1491 36 P 4.0685 0.0000 0.0000 65.4525 31.2342 178.8672 37 F 3.8736 7.8948 116.3361 60.5838 38.8175 177.4473 38 F 4.0021 8.3719 116.6052 59.9146 38.6279 178.1279 39 I 3.7657 8.0639 120.1670 64.1949 36.8124 178.3861 40 V 3.5068 7.9273 119.3863 65.9317 31.3488 177.9890 41 R 3.7942 8.0388 118.3711 59.6396 29.6726 177.5507 42 H 4.0822 8.5115 118.4027 59.7634 29.5572 177.0480 43 Q 3.9290 8.0604 118.0719 58.9910 28.3295 178.5177 44 L 4.1166 8.2197 120.3016 57.7365 41.4184 179.5232 45 L 4.1393 8.2763 118.2405 57.1136 41.6455 178.9750 46 K 4.0521 7.3799 116.8565 56.6685 32.0402 176.8545 47 K 4.0845 7.4033 124.4999 56.5995 34.1412 175.1252 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 H 8.44 4.59 0.00 3.01 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 7.15 4.57 0.00 2.84 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 4 E 9.34 4.18 0.00 1.92 1.86 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 2.31 2.25 0.00 5 E 8.56 4.64 0.00 1.90 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 2.23 2.43 0.00 6 G 8.71 3.91 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 0.00 0.00 0.00 7 P 0.00 4.29 0.00 2.02 1.99 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 8 G 8.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.77 4.45 0.00 1.81 1.74 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.52 7.81 10 N 7.88 4.87 0.00 2.76 2.84 0.00 0.00 5.83 7.81 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 11 I 7.08 4.47 0.67 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.23 0.63 0.00 0.00 12 P 0.00 4.51 0.00 2.20 2.14 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 13 F 6.94 4.96 0.00 2.98 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.60 4.25 0.00 3.85 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 15 V 8.06 4.43 2.08 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 0.86 0.00 0.00 0.86 0.00 0.00 16 E 8.10 3.99 0.00 1.88 1.97 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 2.32 2.29 0.00 17 N 7.86 4.95 0.00 2.74 2.65 0.00 0.00 6.94 7.26 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 18 K 8.35 3.83 0.00 1.50 1.71 0.00 0.76 0.00 0.00 1.17 0.00 0.00 2.70 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.79 0.21 7.81 19 W 7.80 4.58 0.00 3.61 3.27 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 20 R 8.72 3.99 0.00 1.93 1.96 0.00 3.13 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 21 L 8.21 3.92 0.00 1.80 1.75 1.04 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.88 3.94 0.00 2.04 2.05 1.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.17 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.16 3.99 0.00 1.91 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.73 0.00 25 M 8.33 3.98 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.38 0.00 26 T 8.22 3.97 4.53 0.00 0.00 0.00 0.00 0.00 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 27 L 8.09 4.05 0.00 1.85 1.74 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.19 4.11 0.00 2.89 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 29 F 8.30 4.36 0.00 3.40 3.05 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 0.00 0.00 0.00 0.00 30 G 8.38 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.32 4.33 0.00 4.04 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 32 G 7.56 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.31 4.38 0.00 3.14 3.21 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 34 A 8.62 4.52 1.60 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 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.96 4.07 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 36 P 0.00 4.07 0.00 1.56 1.82 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.04 0.00 37 F 7.89 3.87 0.00 3.20 2.86 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 38 F 8.37 4.00 0.00 3.24 3.16 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 39 I 8.06 3.77 1.96 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 1.40 0.73 0.90 0.00 0.00 40 V 7.93 3.51 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 1.03 0.00 0.00 0.79 0.00 0.00 41 R 8.04 3.79 0.00 1.77 1.96 0.00 3.03 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 42 H 8.51 4.08 0.00 3.35 3.60 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.06 3.93 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 44 L 8.22 4.12 0.00 1.79 1.69 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.28 4.14 0.00 1.68 1.73 0.95 0.95 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 46 K 7.38 4.05 0.00 1.66 1.82 0.00 1.50 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.47 7.81 47 K 7.40 4.08 0.00 1.80 2.03 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.26 1.22 7.81