NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1708 8.3144 121.7887 56.0057 33.3802 176.7978 2 K 4.2053 7.7777 119.4037 54.4669 33.5514 174.1880 3 K 4.4100 9.2509 132.2569 57.6868 33.3605 176.1615 4 D 4.3106 8.1825 112.5135 54.3015 37.4727 174.6438 5 K 3.9646 7.9429 119.4569 57.1721 31.7030 177.2778 6 V 3.5699 8.0384 125.6558 63.2266 32.1349 177.0138 7 K 4.2724 7.4379 119.5335 56.7286 32.9987 174.6921 8 K 3.6670 9.2185 128.1627 56.0149 33.2422 174.2249 9 G 3.6020 8.3385 114.4978 45.3250 0.0000 173.6650 10 G 4.0398 6.9416 107.5517 44.3623 0.0000 169.9124 11 P 3.8517 0.0000 0.0000 61.0753 30.7266 174.1022 12 G 3.7190 8.8768 120.9395 44.3301 0.0000 172.2744 13 S 4.6345 7.8578 119.0501 56.1083 65.4807 173.9261 14 E 4.7570 8.9714 120.4713 57.1006 32.9216 175.3785 15 C 4.0571 9.1136 120.5978 56.7718 36.8001 172.5272 16 A 4.2320 8.5240 125.2097 55.2451 18.6283 179.1878 17 E 3.8044 8.3467 111.6513 55.6467 29.2538 174.3994 18 W 3.1631 9.0342 135.0000 57.0316 32.4933 173.5911 19 A 4.2284 7.9806 127.4909 52.5903 17.1391 174.7140 20 W 5.1162 8.7521 119.4237 55.1869 29.8774 176.2236 21 G 4.1385 9.0040 113.4429 45.4270 0.0000 169.4400 22 P 4.7424 0.0000 0.0000 62.4364 33.2429 176.1585 23 C 5.6074 8.3995 117.6338 56.7393 40.0979 173.5200 24 T 4.4788 7.3613 114.3050 62.0599 72.5502 172.8550 25 P 4.6200 0.0000 0.0000 61.1957 29.5775 176.3705 26 S 4.2390 7.9020 120.1633 61.3500 64.1050 174.8776 27 S 4.5195 8.0188 111.7772 58.6264 64.5982 177.7981 28 K 4.5278 8.7756 126.0606 56.6954 31.9067 177.1545 29 D 4.9671 8.4805 126.3618 54.0439 43.7081 173.5412 30 C 4.7757 9.2556 119.8807 55.1622 43.6439 178.4858 31 G 3.3945 8.9159 107.4512 45.1533 0.0000 173.8691 32 V 4.3603 8.1646 117.9133 60.0391 34.8868 178.1241 33 G 3.7308 8.4438 109.3231 46.5512 0.0000 172.0814 34 F 5.6105 7.0424 122.5548 54.9172 40.6488 176.1182 35 R 5.2394 8.2673 117.5715 55.5293 32.4615 174.1697 36 E 5.6237 8.6833 117.4542 55.5357 33.5118 173.5104 37 G 4.8416 8.7804 115.1874 47.3266 0.0000 172.5618 38 T 3.3504 7.2191 113.2983 59.9179 72.1878 173.6037 39 C 4.0899 7.1399 117.9979 56.9190 45.5855 174.5598 40 G 3.7686 6.7229 107.0683 44.8638 0.0000 171.8690 41 A 4.6937 7.8444 120.9631 50.8717 20.8506 176.8482 42 Q 4.7182 8.6983 117.0917 57.6038 29.5844 174.0884 43 T 4.6603 9.3050 118.1205 62.9694 69.9075 172.0109 44 Q 4.7016 7.6301 120.7422 56.7821 31.9739 171.9494 45 R 6.0000 8.4951 115.4301 54.2135 34.2907 175.1692 46 I 4.5306 7.9972 112.4489 59.5464 40.8689 174.8412 47 R 4.8559 8.7006 124.6553 56.4810 31.4350 174.5624 48 C 4.8344 8.3501 109.7976 54.6964 44.9548 174.2434 49 R 4.5570 8.7970 121.7424 56.1092 30.7878 176.0596 50 V 4.4928 7.9090 119.6923 60.2854 34.6418 173.2384 51 P 4.4965 0.0000 0.0000 64.7617 32.0380 177.0619 52 C 4.6350 8.0751 111.5593 59.5088 38.7210 172.8037 53 N 4.8883 7.5675 111.6287 52.7156 39.4552 178.1353 54 W 4.4243 8.6535 118.0688 59.0762 27.9528 176.3987 55 K 3.5725 6.4280 116.9233 54.5659 32.5244 177.0695 56 K 3.8088 7.7750 115.5262 56.8242 30.4411 174.1248 57 E 4.9779 6.6692 124.2901 55.7653 31.6441 176.7397 58 F 4.3664 7.9627 128.1792 56.7468 37.6685 175.5800 59 G 3.8845 7.9834 113.0285 45.1022 0.0000 170.8627 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 8.31 4.17 0.00 1.73 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 2 K 7.78 4.21 0.00 1.74 1.65 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.58 7.81 3 K 9.25 4.41 0.00 1.80 1.80 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.45 7.81 4 D 8.18 4.31 0.00 2.77 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 5 K 7.94 3.96 0.00 1.93 2.03 0.00 1.49 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.44 7.81 6 V 8.04 3.57 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 0.97 0.00 0.00 -0.06 0.00 0.00 7 K 7.44 4.27 0.00 2.12 2.27 0.00 1.84 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.45 7.81 8 K 9.22 3.67 0.00 2.03 1.93 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.41 7.81 9 G 8.34 3.60 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 0.00 0.00 0.00 10 G 6.94 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.85 0.00 2.16 1.92 0.00 3.84 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 12 G 8.88 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.63 0.00 3.89 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 14 E 8.97 4.76 0.00 2.08 2.06 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 2.22 2.37 0.00 15 C 9.11 4.06 0.00 3.67 3.51 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 0.00 0.00 0.00 0.00 16 A 8.52 4.23 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.35 3.80 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 18 W 9.03 3.16 0.00 3.80 3.33 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 19 A 7.98 4.23 1.11 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 0.00 0.00 20 W 8.75 5.12 0.00 3.33 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 21 G 9.00 4.14 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 0.00 0.00 0.00 22 P 0.00 4.74 0.00 2.15 2.26 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 23 C 8.40 5.61 0.00 2.79 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 T 7.36 4.48 4.10 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 1.07 0.00 0.00 25 P 0.00 4.62 0.00 2.37 2.18 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 26 S 7.90 4.24 0.00 4.17 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 0.00 27 S 8.02 4.52 0.00 3.83 3.57 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 28 K 8.78 4.53 0.00 1.72 1.27 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.36 7.81 29 D 8.48 4.97 0.00 2.52 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 30 C 9.26 4.78 0.00 3.24 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.92 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 4.36 2.10 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 0.90 0.00 0.00 0.98 0.00 0.00 33 G 8.44 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 0.00 0.00 0.00 34 F 7.04 5.61 0.00 3.34 3.24 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 0.00 35 R 8.27 5.24 0.00 2.28 2.28 0.00 3.02 0.00 0.00 3.04 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.32 0.00 36 E 8.68 5.62 0.00 2.36 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 2.59 2.43 0.00 37 G 8.78 4.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.22 3.35 3.64 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 0.94 0.00 0.00 39 C 7.14 4.09 0.00 3.16 2.51 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 0.00 0.00 0.00 0.00 40 G 6.72 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 0.00 0.00 0.00 41 A 7.84 4.69 1.20 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 0.00 0.00 0.00 42 Q 8.70 4.72 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 7.51 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 43 T 9.31 4.66 4.22 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 1.33 0.00 0.00 44 Q 7.63 4.70 0.00 2.48 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 45 R 8.50 6.00 0.00 1.44 2.23 0.00 3.19 0.00 0.00 3.49 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 46 I 8.00 4.53 1.54 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.03 0.50 0.00 0.00 47 R 8.70 4.86 0.00 1.74 1.97 0.00 3.29 0.00 0.00 3.46 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 48 C 8.35 4.83 0.00 2.89 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.80 4.56 0.00 1.69 1.90 0.00 3.53 0.00 0.00 3.79 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.40 0.00 50 V 7.91 4.49 2.06 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 0.87 0.00 0.00 1.02 0.00 0.00 51 P 0.00 4.50 0.00 2.23 2.12 0.00 3.95 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.98 0.00 52 C 8.08 4.63 0.00 3.12 3.21 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 53 N 7.57 4.89 0.00 2.79 2.79 0.00 0.00 6.71 7.66 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 54 W 8.65 4.42 0.00 3.65 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 55 K 6.43 3.57 0.00 0.79 1.14 0.00 1.88 0.00 0.00 1.84 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.77 0.45 7.81 56 K 7.78 3.81 0.00 1.83 1.85 0.00 1.85 0.00 0.00 1.55 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.38 7.81 57 E 6.67 4.98 0.00 1.95 2.03 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 2.11 1.94 0.00 58 F 7.96 4.37 0.00 2.97 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.98 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 0.00 0.00 0.00