NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2416 8.4444 121.4693 55.5533 30.8091 175.2919 2 D 4.2692 8.4704 124.3348 53.7882 41.7542 175.1483 3 C 4.5710 9.1436 122.5398 56.3014 41.9859 172.8784 4 I 3.9141 8.0226 121.7654 60.6236 36.8074 174.8263 5 P 4.3455 0.0000 0.0000 62.3202 31.6569 176.5398 6 K 4.2064 8.5269 120.8412 57.5001 33.3234 176.6009 7 W 3.8300 8.5189 118.0071 57.6237 27.4930 174.2730 8 K 4.5374 7.2982 117.8708 53.8729 33.8255 175.6772 9 G 3.3744 8.0820 112.7461 45.8279 0.0000 173.8070 10 C 4.3564 8.1200 117.9534 56.1619 44.1493 173.7609 11 V 3.8558 7.2844 118.3987 64.5886 31.3709 172.5220 12 N 4.0574 8.8912 123.5403 53.7755 35.7722 174.4955 13 R 4.0910 8.2470 120.2114 54.6844 28.9177 175.5735 14 H 4.6008 8.1848 111.0932 55.4429 25.7287 174.4980 15 G 4.2051 8.4824 115.0269 46.1315 0.0000 171.3667 16 D 4.8334 7.9717 116.0993 53.7041 41.3262 177.5648 17 C 4.0708 8.1377 116.0198 57.1730 41.9888 174.1587 18 C 4.2505 8.9830 123.3934 58.2330 41.1925 177.3476 19 E 4.1892 8.9943 122.5482 56.3074 29.9077 178.2671 20 G 3.7622 8.5044 112.3650 46.9584 0.0000 173.6240 21 L 4.2918 7.6131 120.0651 54.2458 42.5287 176.4425 22 E 4.5252 8.2967 120.6830 54.6256 32.2019 174.2176 23 C 4.7924 8.6561 123.5528 55.8807 44.6407 172.4271 24 W 5.1893 8.7480 128.0294 55.2863 30.2931 175.8832 25 K 4.6434 8.7087 124.9737 56.3654 33.2332 178.1665 26 R 4.2930 8.1897 124.9949 56.1403 31.6780 175.6874 27 R 4.1142 8.7802 114.3253 59.3467 30.4010 177.4646 28 R 4.3606 7.8059 112.4343 57.4476 32.7143 175.9122 29 S 4.0799 7.8827 110.4455 57.6019 63.7589 173.4395 30 F 4.5791 7.4590 114.3340 56.6970 38.6545 173.4302 31 E 5.3244 8.6905 117.0894 55.3846 33.0268 175.1516 32 V 5.3772 8.3184 113.0152 58.3142 35.6860 174.7097 33 C 4.4762 8.7642 122.9998 57.2870 38.4978 172.9396 34 V 4.4364 8.3391 117.4418 58.2136 34.0754 173.7185 35 P 4.3683 0.0000 0.0000 62.2493 30.9425 175.6408 36 K 3.6478 7.9699 121.0418 60.7562 32.7902 176.7676 37 T 4.0790 7.6265 118.3079 61.9135 69.8758 171.0051 38 P 4.2728 0.0000 0.0000 64.3288 30.6259 177.1439 39 K 4.0481 7.9238 119.3463 56.7514 33.5085 177.3749 40 T 4.1796 7.7048 122.4671 63.9922 68.5722 175.0088 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 E 8.44 4.24 0.00 1.92 1.91 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 2.18 2.36 0.00 2 D 8.47 4.27 0.00 2.73 2.55 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 0.00 0.00 0.00 0.00 3 C 9.14 4.57 0.00 2.99 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 4 I 8.02 3.91 1.84 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 1.46 0.77 0.87 0.00 0.00 5 P 0.00 4.35 0.00 2.04 1.99 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 6 K 8.53 4.21 0.00 2.17 2.02 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.64 7.81 7 W 8.52 3.83 0.00 3.38 3.40 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 8 K 7.30 4.54 0.00 1.78 1.56 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.35 7.81 9 G 8.08 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.12 4.36 0.00 2.96 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 11 V 7.28 3.86 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 0.85 0.00 0.00 1.03 0.00 0.00 12 N 8.89 4.06 0.00 3.03 2.85 0.00 0.00 7.04 7.65 0.00 0.00 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 R 8.25 4.09 0.00 2.09 2.23 0.00 3.58 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.74 0.00 14 H 8.18 4.60 0.00 3.25 3.34 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.48 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 0.00 0.00 0.00 0.00 16 D 7.97 4.83 0.00 2.76 2.66 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 0.00 0.00 0.00 17 C 8.14 4.07 0.00 2.93 2.99 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 0.00 0.00 0.00 18 C 8.98 4.25 0.00 2.99 2.81 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 19 E 8.99 4.19 0.00 2.04 1.83 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 2.38 2.29 0.00 20 G 8.50 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 4.29 0.00 1.41 1.56 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.30 4.53 0.00 1.99 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 1.92 1.49 0.00 23 C 8.66 4.79 0.00 2.94 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 24 W 8.75 5.19 0.00 3.18 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 25 K 8.71 4.64 0.00 1.80 1.86 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.39 7.81 26 R 8.19 4.29 0.00 1.91 1.95 0.00 3.38 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 27 R 8.78 4.11 0.00 1.84 1.96 0.00 3.19 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 28 R 7.81 4.36 0.00 1.71 1.86 0.00 3.36 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 29 S 7.88 4.08 0.00 3.48 3.78 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 30 F 7.46 4.58 0.00 3.19 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.69 5.32 0.00 2.03 2.23 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 2.27 2.20 0.00 32 V 8.32 5.38 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 0.83 0.00 0.00 0.89 0.00 0.00 33 C 8.76 4.48 0.00 2.77 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 34 V 8.34 4.44 1.19 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 -0.03 0.00 0.00 -0.91 0.00 0.00 35 P 0.00 4.37 0.00 2.15 2.04 0.00 3.74 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 2.04 2.01 0.00 36 K 7.97 3.65 0.00 1.87 1.81 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.40 7.81 37 T 7.63 4.08 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 1.23 0.00 0.00 38 P 0.00 4.27 0.00 2.20 1.99 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 39 K 7.92 4.05 0.00 1.78 1.76 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.41 7.81 40 T 7.70 4.18 4.25 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 1.21 0.00 0.00