NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3331 8.1733 122.0528 56.4244 34.1638 174.3559 2 D 4.4298 8.2266 125.7791 52.6010 44.3550 173.5643 3 G 4.0722 8.2676 108.0523 46.3368 0.0000 171.0864 4 Y 5.0156 8.4799 116.5173 56.0658 40.8235 175.8800 5 L 4.7058 8.3913 122.4449 54.7529 43.0468 177.2375 6 V 4.7032 8.1681 114.8883 59.7963 34.4382 173.6261 7 E 4.7962 8.4500 120.4330 54.4014 32.6599 176.9836 8 K 3.8592 8.8326 119.3794 60.1153 31.9308 178.9039 9 T 3.9785 7.7546 106.9242 62.5794 68.9763 174.4121 10 G 4.1482 8.4511 110.8886 46.2208 0.0000 173.4894 11 C 4.4915 7.8812 116.4400 57.3601 40.7992 172.6309 12 K 4.3958 7.7895 119.4646 55.7290 35.1162 176.1567 13 K 4.3668 8.0761 118.4475 55.3492 34.7318 175.8588 14 T 4.8057 8.4451 121.4229 61.9912 69.6413 173.2719 15 C 4.7408 8.1393 117.6489 53.9420 44.7978 173.4635 16 Y 3.6007 8.2116 116.1757 57.7087 38.0981 176.3557 17 K 4.4342 7.4528 119.7374 54.1463 32.3740 175.8450 18 L 4.2317 8.1053 123.3998 55.1042 42.3672 178.1616 19 G 3.8727 8.4748 105.4981 44.2719 0.0000 171.3539 20 E 4.3429 8.5765 118.6359 56.9233 28.2145 176.2332 21 N 4.7671 8.4305 121.3966 51.3648 38.5506 173.6691 22 D 4.4043 8.5434 127.4849 57.3542 41.0631 178.0768 23 F 4.1241 8.5410 120.1454 61.8905 39.1596 177.7202 24 C 4.3818 8.4562 115.6342 60.0108 40.7652 175.5968 25 N 4.6979 8.3031 119.9193 56.3437 38.3237 176.9577 26 R 3.8316 8.6530 118.8946 59.4417 30.2455 178.7682 27 E 4.2197 8.2513 116.8326 58.8757 29.3429 178.3796 28 C 4.4802 8.3441 119.4545 59.4941 43.7260 174.9062 29 K 4.0808 8.4902 118.0930 58.6035 31.8000 179.8679 30 W 3.9282 7.4199 125.6917 61.2029 32.3816 175.7481 31 K 4.3970 8.1107 124.0328 55.5470 33.1161 175.9505 32 H 4.5470 8.9255 116.4705 56.2896 28.8680 173.6860 33 I 4.5401 8.6047 123.6694 61.1498 44.8659 175.7610 34 G 3.8327 8.5148 107.1530 45.6115 0.0000 173.9517 35 G 3.8629 7.9222 110.0292 44.0506 0.0000 174.5028 36 S 4.2957 8.5379 122.2187 60.4130 63.7283 174.5051 37 Y 4.5019 7.9253 120.6913 55.7494 42.7359 174.4220 38 G 4.5039 8.7571 112.8845 44.9753 0.0000 170.7174 39 Y 5.5068 8.8168 123.7114 55.1437 42.7151 173.2035 40 C 5.0978 8.6696 120.0333 56.1750 44.9287 171.7679 41 Y 4.7968 8.9744 127.4757 56.7273 41.1835 175.1053 42 G 3.5384 8.6615 115.5048 47.1448 0.0000 173.5822 43 F 3.7053 8.3225 114.0656 56.1729 36.3770 175.2577 44 G 4.7368 7.0631 108.2843 45.7116 0.0000 172.4987 45 C 4.9823 8.4399 121.0685 57.2373 41.9341 171.8199 46 Y 4.3333 9.0612 126.3689 56.1034 40.6695 173.6709 47 C 5.4193 7.6287 121.1350 55.1521 43.6732 172.9019 48 E 5.0459 8.8178 119.1713 54.7136 32.9672 176.4104 49 G 4.1921 9.9165 116.4221 45.8061 0.0000 173.1520 50 L 4.3473 7.8457 120.0469 52.4498 42.5952 175.4769 51 P 4.4530 0.0000 0.0000 62.3615 31.9065 177.2169 52 D 4.5542 8.6096 120.2142 57.3489 40.8079 177.7823 53 S 4.4939 7.9929 113.0318 58.9142 63.0325 173.5898 54 T 4.4670 7.8714 118.5804 61.7963 69.6987 174.0830 55 Q 4.2343 8.5471 127.3648 55.6674 29.6909 174.6033 56 T 4.9544 8.2067 114.2624 59.5210 72.3596 172.6811 57 W 4.6454 9.4641 132.4915 55.7669 31.9519 174.2013 58 P 2.9700 0.0000 0.0000 61.9167 32.2041 175.0087 59 L 4.3856 7.4024 120.0508 52.4926 43.3397 175.0442 60 P 4.5080 0.0000 0.0000 62.7008 31.1181 176.5628 61 N 4.1808 8.7935 115.3005 56.9152 38.8610 175.7769 62 K 4.2077 7.2447 120.6769 55.1821 30.4645 175.4514 63 T 4.0688 7.3173 118.9234 62.9149 69.8669 175.4694 64 C 4.4687 8.5759 121.1896 57.1112 44.7499 172.9517 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 K 8.17 4.33 0.00 1.86 1.73 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.49 7.81 2 D 8.23 4.43 0.00 2.83 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 G 8.27 4.07 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 0.00 0.00 0.00 4 Y 8.48 5.02 0.00 3.28 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 5 L 8.39 4.71 0.00 1.72 1.67 1.05 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.17 4.70 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.01 0.00 0.00 7 E 8.45 4.80 0.00 2.09 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 2.25 0.00 8 K 8.83 3.86 0.00 1.81 1.90 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.46 7.81 9 T 7.75 3.98 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 1.23 0.00 0.00 10 G 8.45 4.15 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 0.00 0.00 0.00 11 C 7.88 4.49 0.00 3.09 3.09 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 0.00 0.00 0.00 12 K 7.79 4.40 0.00 0.95 0.74 0.00 0.81 0.00 0.00 0.61 0.00 0.00 2.66 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.62 1.02 7.81 13 K 8.08 4.37 0.00 1.66 1.72 0.00 1.94 0.00 0.00 1.88 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.44 7.81 14 T 8.45 4.81 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 15 C 8.14 4.74 0.00 2.88 2.88 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 16 Y 8.21 3.60 0.00 2.89 2.89 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 17 K 7.45 4.43 0.00 1.74 1.80 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.45 7.81 18 L 8.11 4.23 0.00 1.76 1.72 1.12 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.47 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 0.00 0.00 0.00 20 E 8.58 4.34 0.00 2.01 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 2.40 2.45 0.00 21 N 8.43 4.77 0.00 3.15 2.85 0.00 0.00 7.26 8.51 0.00 0.00 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 D 8.54 4.40 0.00 2.74 2.69 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 23 F 8.54 4.12 0.00 3.32 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.46 4.38 0.00 3.22 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 25 N 8.30 4.70 0.00 2.85 2.93 0.00 0.00 6.69 6.99 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 26 R 8.65 3.83 0.00 1.82 1.76 0.00 2.92 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 27 E 8.25 4.22 0.00 2.34 2.20 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 2.56 2.50 0.00 28 C 8.34 4.48 0.00 3.18 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.49 4.08 0.00 1.79 1.78 0.00 1.86 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.43 7.81 30 W 7.42 3.93 0.00 3.60 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 31 K 8.11 4.40 0.00 1.91 1.57 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.69 7.81 32 H 8.93 4.55 0.00 3.20 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.60 4.54 1.93 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 1.37 0.13 0.93 0.00 0.00 34 G 8.51 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 0.00 0.00 0.00 35 G 7.92 3.86 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 0.00 0.00 0.00 36 S 8.54 4.30 0.00 4.07 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 37 Y 7.93 4.50 0.00 3.19 2.89 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 38 G 8.76 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.82 5.51 0.00 3.20 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 40 C 8.67 5.10 0.00 3.11 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.97 4.80 0.00 2.78 2.60 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 42 G 8.66 3.54 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 43 F 8.32 3.71 0.00 3.07 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.06 4.74 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 0.00 0.00 0.00 45 C 8.44 4.98 0.00 2.97 3.14 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 46 Y 9.06 4.33 0.00 2.53 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 0.00 0.00 0.00 0.00 47 C 7.63 5.42 0.00 2.62 2.78 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 48 E 8.82 5.05 0.00 1.96 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 2.37 2.18 0.00 49 G 9.92 4.19 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 0.00 0.00 0.00 50 L 7.85 4.35 0.00 1.61 1.60 0.83 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.45 0.00 2.17 1.97 0.00 3.55 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 52 D 8.61 4.55 0.00 2.64 2.74 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 53 S 7.99 4.49 0.00 3.85 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 54 T 7.87 4.47 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 55 Q 8.55 4.23 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 56 T 8.21 4.95 4.38 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 1.24 0.00 0.00 57 W 9.46 4.65 0.00 3.52 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 58 P 0.00 2.97 0.00 1.44 0.49 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 59 L 7.40 4.39 0.00 1.52 1.71 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.51 0.00 2.13 2.00 0.00 3.57 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 61 N 8.79 4.18 0.00 2.66 2.88 0.00 0.00 6.67 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.24 4.21 0.00 1.69 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.39 7.81 63 T 7.32 4.07 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 1.13 0.00 0.00 64 C 8.58 4.47 0.00 3.05 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00