NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2443 8.1849 122.4729 54.9152 44.2962 178.0409 3 D 4.3981 7.5937 117.9318 53.2904 42.7371 175.7810 4 K 3.9608 8.8360 122.4939 59.4670 32.5908 179.1571 5 W 4.1837 8.2703 127.8791 60.3383 30.6145 177.7938 6 A 2.8757 7.0303 120.1022 54.7490 17.8270 179.3846 7 S 3.9784 7.9415 111.7294 61.4247 62.3918 176.0772 8 L 3.9784 7.9332 123.1168 57.8660 41.7356 178.8000 9 W 4.3086 8.1255 128.4129 60.4293 30.6004 177.8267 10 N 4.1075 8.1217 116.6240 55.9589 37.8745 177.4420 11 W 4.1238 8.3685 120.3677 59.7214 29.0719 178.4596 12 F 4.5874 8.8045 118.1578 61.0945 38.3290 177.5999 13 N 4.2638 8.0786 115.9152 56.0927 38.2915 177.7372 14 I 3.7479 7.9063 121.6389 64.6182 37.2063 178.6288 15 T 4.0193 8.4498 110.9395 64.6048 68.6455 176.2186 16 N 4.5837 8.6931 120.2795 56.4168 38.8748 176.6679 17 W 4.4310 8.2967 129.7143 60.5917 30.8543 178.0279 18 L 3.8314 8.0495 118.9458 57.3910 40.8635 179.6610 19 W 4.2291 8.2721 119.0237 59.8134 29.0478 177.6232 20 Y 3.9775 8.4396 119.8780 60.9501 38.0466 178.2707 21 I 3.3487 7.5878 120.6501 64.3310 37.0942 178.3929 22 K 3.8971 8.0389 120.2291 59.5481 31.9372 178.9058 23 I 3.8531 8.0755 120.3060 64.0137 36.9366 178.2164 24 E 3.7637 7.9205 119.7758 59.0363 29.2503 178.8979 25 E 3.8393 7.8443 119.3993 59.0230 29.6214 178.6855 26 L 3.9237 7.6750 120.1889 58.1000 42.1969 178.9777 27 K 3.8922 8.2496 118.7685 59.6595 31.9844 179.4867 28 S 4.1150 8.2964 115.5597 61.4488 62.7227 176.9312 29 K 3.9718 7.8904 120.6665 59.5020 31.7366 179.4091 30 I 3.6722 7.9199 120.2282 64.3474 37.0311 178.4798 31 K 3.9581 8.0697 120.4276 59.4568 32.0269 179.0320 32 R 3.9446 8.1048 118.4324 59.2453 29.9022 179.1059 33 I 3.6891 7.7376 119.4845 64.5482 37.0993 178.3707 34 E 3.9740 8.5015 119.7307 59.4686 29.2507 179.2723 35 N 4.3336 8.2275 116.6664 56.1607 38.5602 177.1755 36 E 3.9520 8.1689 120.8245 59.2923 29.5306 178.9158 37 I 3.7023 7.9475 120.0321 64.2526 36.9303 178.3540 38 K 3.9418 8.0876 119.7110 59.1895 32.2360 178.6353 39 R 4.0090 7.9886 119.0998 59.6631 29.8947 178.5145 40 I 3.7314 7.6802 118.0318 63.8922 37.1545 177.5905 41 K 4.3407 7.4829 116.6023 56.3855 32.5994 177.0060 42 K 4.1096 7.6817 124.9668 56.9910 32.2589 175.6606 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 L 8.18 4.24 0.00 1.56 1.74 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 3 D 7.59 4.40 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.84 3.96 0.00 1.86 1.91 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.53 7.81 5 W 8.27 4.18 0.00 3.36 3.25 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 6 A 7.03 2.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.94 3.98 0.00 3.89 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 8 L 7.93 3.98 0.00 1.96 1.63 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 9 W 8.13 4.31 0.00 3.44 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.12 4.11 0.00 2.89 2.63 0.00 0.00 6.99 7.82 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 11 W 8.37 4.12 0.00 3.56 3.32 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 12 F 8.80 4.59 0.00 3.24 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.08 4.26 0.00 2.47 2.53 0.00 0.00 7.10 7.48 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 14 I 7.91 3.75 1.89 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.76 0.86 0.00 0.00 15 T 8.45 4.02 4.42 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 1.58 0.00 0.00 16 N 8.69 4.58 0.00 3.17 3.03 0.00 0.00 6.76 8.40 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 17 W 8.30 4.43 0.00 3.52 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 3.83 0.00 1.68 1.42 0.85 0.89 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 19 W 8.27 4.23 0.00 3.59 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 20 Y 8.44 3.98 0.00 3.26 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 21 I 7.59 3.35 1.74 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 0.81 1.13 0.74 0.00 0.00 22 K 8.04 3.90 0.00 1.88 2.06 0.00 1.39 0.00 0.00 1.45 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.47 7.81 23 I 8.08 3.85 1.82 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.81 0.83 0.00 0.00 24 E 7.92 3.76 0.00 1.87 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 1.61 2.04 0.00 25 E 7.84 3.84 0.00 1.92 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 2.27 2.27 0.00 26 L 7.68 3.92 0.00 1.87 1.68 0.94 1.25 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 27 K 8.25 3.89 0.00 1.91 1.80 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.54 7.81 28 S 8.30 4.12 0.00 3.96 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 29 K 7.89 3.97 0.00 1.96 1.84 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.66 7.81 30 I 7.92 3.67 1.98 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 1.39 0.77 0.90 0.00 0.00 31 K 8.07 3.96 0.00 1.90 1.91 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 32 R 8.10 3.94 0.00 1.90 1.96 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 33 I 7.74 3.69 2.01 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 1.51 0.71 0.90 0.00 0.00 34 E 8.50 3.97 0.00 1.98 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 2.32 2.55 0.00 35 N 8.23 4.33 0.00 2.99 2.86 0.00 0.00 6.63 7.55 0.00 0.00 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 E 8.17 3.95 0.00 2.09 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 0.00 2.30 2.39 0.00 37 I 7.95 3.70 1.99 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 1.40 0.69 0.91 0.00 0.00 38 K 8.09 3.94 0.00 1.74 2.10 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 39 R 7.99 4.01 0.00 2.09 2.08 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 40 I 7.68 3.73 2.06 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 1.52 0.78 0.91 0.00 0.00 41 K 7.48 4.34 0.00 1.70 1.84 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.67 7.81 42 K 7.68 4.11 0.00 1.88 1.97 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.48 7.81