NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3320 8.3044 120.3265 55.4611 32.1511 170.8185 2 K 3.5130 9.8697 130.8733 55.4733 32.5950 173.2813 3 I 4.8207 8.2818 126.3670 59.4433 42.0983 174.7144 4 K 4.6582 8.1928 122.2188 55.2870 34.6543 174.8559 5 L 4.9672 8.1081 115.4411 52.9934 46.5390 179.2936 6 V 4.1977 7.9781 112.7912 60.2221 30.7597 179.4443 7 R 4.4978 7.8704 115.2708 56.0309 31.1589 173.3552 8 S 4.6510 7.6746 114.1491 57.3200 66.7356 175.5465 9 V 4.4381 8.6625 122.2815 63.5818 32.1084 177.1214 10 I 3.8482 8.7447 115.4521 62.2580 38.3803 176.0238 11 G 3.8886 9.0243 108.2690 45.5143 0.0000 173.0630 12 R 4.4579 7.5177 118.4614 53.2177 32.1180 173.4055 13 P 4.4654 0.0000 0.0000 62.3716 31.8828 177.1563 14 G 3.7141 8.5134 106.9676 47.8955 0.0000 175.7874 15 N 4.3064 8.3087 117.9839 56.0584 37.1088 177.0436 16 Q 4.0061 7.6455 120.1689 58.1261 28.9883 177.8309 17 V 3.6903 7.4369 119.2532 65.2965 31.2870 176.4445 18 K 4.6321 7.5328 117.9334 57.4194 33.1835 177.5169 19 T 4.5538 7.6418 114.6329 63.2459 70.7042 176.8833 20 V 3.6323 8.1643 122.2446 65.5993 31.7196 177.6147 21 Q 4.0988 8.0482 117.2160 57.5753 28.8358 176.0354 22 A 4.2854 7.2883 118.7092 53.4431 19.8349 177.6529 23 L 4.4517 7.9207 124.6394 53.0495 40.4616 176.1422 24 G 3.6294 8.4228 113.9261 45.9987 0.0000 171.1932 25 L 4.4282 8.2656 126.7830 53.8759 44.9791 174.5153 26 R 4.4738 8.4845 125.0306 55.3436 32.0731 177.8049 27 K 3.9546 8.5429 121.7138 56.0190 31.3757 174.5904 28 I 4.4702 7.8720 115.6041 62.1485 39.7014 178.0950 29 G 4.0130 8.2077 108.4583 48.0493 0.0000 173.2232 30 D 4.6973 7.6987 118.1626 52.4510 43.5028 175.2551 31 S 4.7772 8.5421 119.6346 56.7530 65.5266 172.6865 32 R 4.6815 7.8944 120.7092 54.3480 33.6538 174.9184 33 E 4.3724 8.4325 119.1051 56.9286 29.8870 175.5545 34 V 4.4563 8.2631 114.1538 60.9279 35.1980 174.2051 35 S 3.8604 8.4012 109.6143 60.4706 62.5992 176.1434 36 D 4.6700 8.3741 109.6523 54.6103 43.0117 177.8394 37 T 4.4960 6.8984 116.5532 60.4085 69.8679 173.3642 38 P 4.2211 0.0000 0.0000 64.9632 31.8337 176.8587 39 A 4.6573 7.3475 120.9163 51.9848 18.0821 178.2115 40 V 4.4344 7.4771 116.5358 63.9334 34.9117 175.6430 41 R 4.0058 8.1635 119.2664 58.9141 30.4535 176.2187 42 G 4.2811 7.5183 104.8296 45.2346 0.0000 172.7493 43 M 4.8805 7.7519 110.8240 55.1001 34.2058 175.3413 44 V 4.4696 7.6824 109.1652 61.2624 36.0496 175.0874 45 K 4.5886 7.8928 118.7996 56.9388 29.6951 175.3767 46 T 4.6826 8.0042 116.3224 64.4494 75.1506 175.3308 47 V 4.5131 7.1612 116.4490 61.2702 31.8683 175.3767 48 K 3.9701 8.1587 124.0053 60.0408 32.6707 175.7046 49 H 4.9720 7.9838 118.5166 54.4610 27.1028 172.1205 50 L 4.2673 7.4654 128.3442 54.6045 46.8000 173.5060 51 L 4.8857 7.6864 120.5346 53.8175 44.1431 173.0166 52 E 4.8245 8.1688 116.5746 55.1478 32.8871 175.0916 53 V 3.7495 8.5247 118.2926 63.8512 31.5497 176.2322 54 Q 4.5118 7.5325 118.2397 55.1567 31.7232 173.2396 55 E 4.0729 8.5040 124.5590 56.6963 29.5573 176.1146 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 M 8.30 4.33 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 2 K 9.87 3.51 0.00 1.85 1.80 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.78 7.81 3 I 8.28 4.82 1.97 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 1.30 1.06 0.91 0.00 0.00 4 K 8.19 4.66 0.00 1.65 1.81 0.00 1.99 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.36 7.81 5 L 8.11 4.97 0.00 1.58 1.48 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.98 4.20 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 0.92 0.00 0.00 0.93 0.00 0.00 7 R 7.87 4.50 0.00 1.69 1.75 0.00 3.26 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 8 S 7.67 4.65 0.00 3.80 3.65 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 0.00 0.00 0.00 0.00 9 V 8.66 4.44 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 0.89 0.00 0.00 0.93 0.00 0.00 10 I 8.74 3.85 1.87 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 1.35 0.52 0.91 0.00 0.00 11 G 9.02 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 12 R 7.52 4.46 0.00 1.71 1.78 0.00 3.31 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 13 P 0.00 4.47 0.00 2.52 2.00 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 14 G 8.51 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.31 4.31 0.00 2.88 3.09 0.00 0.00 5.93 7.05 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 16 Q 7.65 4.01 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 17 V 7.44 3.69 2.24 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 1.05 0.00 0.00 0.98 0.00 0.00 18 K 7.53 4.63 0.00 1.94 1.81 0.00 1.58 0.00 0.00 1.88 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.52 7.81 19 T 7.64 4.55 4.32 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 1.27 0.00 0.00 20 V 8.16 3.63 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 0.92 0.00 0.00 0.95 0.00 0.00 21 Q 8.05 4.10 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 22 A 7.29 4.29 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 4.45 0.00 1.74 1.70 0.92 0.58 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 24 G 8.42 3.63 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 0.00 0.00 0.00 25 L 8.27 4.43 0.00 1.56 1.51 0.94 0.97 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 26 R 8.48 4.47 0.00 1.82 1.81 0.00 3.56 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 27 K 8.54 3.95 0.00 1.90 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.38 7.81 28 I 7.87 4.47 1.87 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 1.34 0.99 0.94 0.00 0.00 29 G 8.21 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.70 4.70 0.00 2.72 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 31 S 8.54 4.78 0.00 3.82 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 0.00 32 R 7.89 4.68 0.00 1.70 1.77 0.00 3.24 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 33 E 8.43 4.37 0.00 1.96 1.85 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 0.00 2.29 2.44 0.00 34 V 8.26 4.46 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 0.72 0.00 0.00 0.93 0.00 0.00 35 S 8.40 3.86 0.00 4.00 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 36 D 8.37 4.67 0.00 2.63 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 37 T 6.90 4.50 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 1.21 0.00 0.00 38 P 0.00 4.22 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 A 7.35 4.66 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.48 4.43 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.99 0.00 0.00 41 R 8.16 4.01 0.00 1.88 1.99 0.00 3.30 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 42 G 7.52 4.28 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 0.00 0.00 0.00 43 M 7.75 4.88 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 44 V 7.68 4.47 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 0.88 0.00 0.00 0.93 0.00 0.00 45 K 7.89 4.59 0.00 1.72 1.79 0.00 1.62 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.53 7.81 46 T 8.00 4.68 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 1.21 0.00 0.00 47 V 7.16 4.51 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 0.77 0.00 0.00 0.94 0.00 0.00 48 K 8.16 3.97 0.00 1.88 1.82 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.52 7.81 49 H 7.98 4.97 0.00 3.11 3.25 0.00 6.02 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.47 4.27 0.00 1.83 1.53 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.69 4.89 0.00 1.66 1.58 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.17 4.82 0.00 1.91 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 2.19 2.30 0.00 53 V 8.52 3.75 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 0.74 0.00 0.00 0.93 0.00 0.00 54 Q 7.53 4.51 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 55 E 8.50 4.07 0.00 1.94 1.89 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 2.29 2.32 0.00