NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6565 8.3044 118.3383 55.3732 33.0207 173.8670 2 V 4.4051 8.5584 117.7867 60.2684 34.6705 169.1362 3 V 5.1566 8.9946 124.5678 61.4704 35.7378 174.1160 4 I 4.4861 8.6817 126.4601 60.3171 40.2564 173.7685 5 N 4.4441 9.0916 124.5504 53.9833 38.4894 173.9975 6 G 4.2292 8.3402 102.9521 45.2575 0.0000 172.0582 7 V 4.3733 8.4435 119.0585 60.4279 34.4169 174.2890 8 K 5.1354 7.7100 122.4446 55.2779 36.2967 174.4909 9 Y 5.0417 8.2537 118.3486 57.3190 43.3485 173.2752 10 A 4.7901 8.5018 123.1434 51.9560 23.2760 176.1432 11 C 4.6558 7.9883 113.8536 58.0541 29.0441 174.4684 12 D 4.3923 8.8870 120.3162 56.5202 40.9307 177.4358 13 S 4.7732 7.8492 113.6291 58.8586 63.2642 173.9855 14 C 4.7537 7.7420 117.2435 61.3527 32.9819 176.3356 15 I 3.6569 8.0732 119.2672 63.3459 37.6758 176.6895 16 K 4.2229 7.3703 117.8089 57.1256 31.9344 176.2956 17 S 4.4570 7.6436 113.9040 57.3175 64.0286 174.7105 18 H 5.6691 8.4352 134.3730 57.9105 31.0358 177.4707 19 K 3.7067 7.6927 118.8000 58.6770 32.2328 178.2377 20 A 4.1226 8.3323 121.4511 55.0738 18.3218 179.2835 21 A 3.9943 7.7025 118.3415 55.7309 18.5106 178.5912 22 Q 4.5178 8.3669 117.1099 54.0238 29.4659 174.0179 23 C 4.0978 7.7826 116.6160 60.2357 32.0597 173.4781 24 E 4.5746 8.0830 123.8739 57.0288 30.1264 174.6764 25 H 4.5732 8.0808 113.9996 55.1796 28.9900 173.1265 26 N 4.6391 7.8129 115.1728 54.2566 40.7956 176.8004 27 D 4.3418 7.6383 119.4853 55.2340 41.9419 176.0955 28 R 4.2897 8.4542 117.9011 55.3472 30.4087 173.4225 29 P 4.5031 0.0000 0.0000 62.7297 32.6298 175.4879 30 L 4.9531 8.4394 124.9581 54.5349 43.9331 174.7666 31 K 4.9135 9.2619 121.1335 55.2315 37.3186 175.0811 32 I 4.8017 7.8032 114.5402 59.3235 40.5768 173.8726 33 L 4.3078 7.7933 123.0071 55.1768 46.2244 172.5571 34 K 4.8287 8.3248 120.7232 53.9751 36.2598 176.0867 35 P 4.4107 0.0000 0.0000 63.1443 29.1797 174.7496 36 R 3.7810 8.1689 129.6209 56.5956 29.2925 174.7394 37 G 4.1230 7.7875 105.9991 43.0731 0.0000 173.6832 38 R 4.2812 7.8901 115.3656 54.6864 29.6310 174.5101 39 P 4.5528 0.0000 0.0000 61.7591 32.2103 174.7678 40 P 4.3818 0.0000 0.0000 64.9703 31.1425 175.8243 41 T 4.4743 7.0963 111.9802 63.6386 71.8911 173.8248 42 T 4.1677 7.6505 124.9494 64.3949 69.4978 173.8630 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 4.66 0.00 2.29 2.41 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 2 V 8.56 4.41 2.14 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 0.94 0.00 0.00 0.95 0.00 0.00 3 V 8.99 5.16 2.14 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 1.05 0.00 0.00 0.98 0.00 0.00 4 I 8.68 4.49 1.97 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.38 0.92 0.00 0.00 5 N 9.09 4.44 0.00 2.85 2.74 0.00 0.00 6.94 8.00 0.00 0.00 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 G 8.34 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.44 4.37 2.37 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 0.55 0.00 0.00 1.04 0.00 0.00 8 K 7.71 5.14 0.00 1.66 1.58 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.35 7.81 9 Y 8.25 5.04 0.00 2.87 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.50 4.79 1.28 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 11 C 7.99 4.66 0.00 3.13 3.11 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 0.00 0.00 0.00 0.00 12 D 8.89 4.39 0.00 2.96 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.85 4.77 0.00 3.84 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.74 4.75 0.00 3.08 2.98 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 0.00 0.00 0.00 15 I 8.07 3.66 1.89 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 1.18 0.75 0.98 0.00 0.00 16 K 7.37 4.22 0.00 1.92 1.80 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.54 7.81 17 S 7.64 4.46 0.00 4.03 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.44 5.67 0.00 3.25 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.69 3.71 0.00 1.82 1.89 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.41 7.81 20 A 8.33 4.12 1.38 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 0.00 0.00 0.00 21 A 7.70 3.99 1.28 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 22 Q 8.37 4.52 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 23 C 7.78 4.10 0.00 3.02 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 4.57 0.00 1.87 1.74 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 2.16 2.30 0.00 25 H 8.08 4.57 0.00 3.17 3.23 0.00 5.91 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 7.81 4.64 0.00 2.70 2.72 0.00 0.00 6.84 8.06 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 27 D 7.64 4.34 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.45 4.29 0.00 2.00 1.98 0.00 3.26 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 29 P 0.00 4.50 0.00 2.17 2.16 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 30 L 8.44 4.95 0.00 1.67 1.63 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 31 K 9.26 4.91 0.00 1.69 1.67 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.41 7.81 32 I 7.80 4.80 1.51 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 1.06 0.88 1.18 0.00 0.00 33 L 7.79 4.31 0.00 1.62 1.39 0.89 0.54 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 34 K 8.32 4.83 0.00 1.64 1.60 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.29 7.81 35 P 0.00 4.41 0.00 2.16 2.07 0.00 3.88 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 36 R 8.17 3.78 0.00 1.96 1.95 0.00 3.20 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 37 G 7.79 4.12 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 0.00 0.00 0.00 38 R 7.89 4.28 0.00 2.07 2.20 0.00 3.03 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 39 P 0.00 4.55 0.00 2.20 2.09 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 40 P 0.00 4.38 0.00 2.20 2.22 0.00 3.70 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 1.98 1.98 0.00 41 T 7.10 4.47 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 42 T 7.65 4.17 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