NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3689 8.2644 123.5845 52.5046 19.9416 175.8847 3 R 4.2988 7.5604 122.3489 55.2766 33.5262 175.5600 4 K 4.0206 8.5120 120.5142 58.9630 33.4373 177.4976 5 A 4.3517 8.0045 117.0648 53.2201 18.4303 177.3677 6 L 4.7684 7.6776 116.0897 54.9899 44.3200 178.7634 7 I 3.9793 7.3677 110.8551 63.3797 37.6713 177.4774 8 E 4.1209 8.0753 121.0471 58.7334 29.6368 178.1940 9 K 4.0039 8.0404 118.4799 58.7372 32.0433 178.3060 10 A 3.8605 7.3640 119.1354 54.5445 18.4672 178.1733 11 K 4.1827 7.4593 114.3426 57.0693 32.3292 177.8715 12 R 4.0182 7.6095 118.7869 58.9833 30.8371 177.2905 13 T 3.4803 7.6963 111.2996 63.9910 66.0453 171.0676 14 P 4.2799 0.0000 0.0000 65.0696 32.4231 176.8699 15 K 3.9997 7.3946 116.8193 53.8614 34.1990 175.4075 16 F 4.1381 6.4874 116.9301 58.1717 39.4176 176.9785 17 K 3.9718 8.7366 122.0276 59.0490 32.7999 178.5842 18 V 4.2867 7.2705 118.8178 63.3500 30.8105 176.5734 19 R 4.6946 8.2169 116.1174 55.3134 32.9577 176.2913 20 A 4.2592 7.8234 122.1671 51.7260 16.7030 177.2050 21 Y 4.3428 7.2297 120.3200 56.2778 39.3573 176.7613 22 T 4.0653 8.3984 112.6155 62.6855 69.2260 172.8793 23 R 4.7494 7.9106 119.7769 55.6916 31.5274 173.9237 24 C 4.7163 8.2650 123.0466 58.8511 32.5087 174.7224 25 V 3.9960 8.4231 124.3481 65.0152 31.5645 177.6088 26 R 4.3013 7.9860 117.7555 58.2184 30.6623 177.1712 27 C 4.2692 8.0682 110.8723 58.2435 30.5144 173.9523 28 G 3.8555 7.5765 105.7124 46.1590 0.0000 173.7342 29 R 3.9843 7.9491 118.7990 56.1332 30.6437 176.8234 30 A 4.4527 8.5022 125.9873 53.2307 19.4866 177.4097 31 R 4.6575 7.2483 110.2265 55.6989 32.6930 174.2219 32 S 3.6559 8.5584 111.6481 59.9265 59.7944 171.2894 33 V 5.0577 7.6635 119.8390 60.5595 31.8665 174.8168 34 Y 4.2993 8.7827 125.6340 58.1130 38.6497 177.6939 35 R 4.1154 8.8241 122.1799 59.1672 30.5999 178.8308 36 F 4.2023 8.6403 118.6028 60.2654 39.5371 175.3679 37 F 4.6394 8.0347 115.4527 56.4111 41.3415 176.2066 38 G 4.0221 8.7282 107.4796 45.8679 0.0000 172.7624 39 L 5.0843 7.8542 118.7763 52.6922 44.9043 175.3524 40 C 5.8514 8.3880 114.3593 55.8279 31.7455 174.8799 41 R 3.9440 8.6185 117.4847 60.3532 28.9244 177.9695 42 I 3.7331 7.9225 120.7908 63.1403 36.5218 177.4687 43 C 4.2428 7.8962 116.0417 61.1885 29.5935 175.9547 44 L 3.7796 7.8311 123.3094 57.1893 41.1465 179.0402 45 R 3.8570 7.7109 118.0594 59.0880 30.2131 177.9131 46 E 3.9490 7.8206 117.7712 59.5451 29.3454 179.0833 47 L 3.9676 9.0472 119.4036 57.9069 41.8047 179.5889 48 A 4.0229 7.7170 120.6388 55.2143 18.0009 179.3333 49 H 4.3431 8.1251 114.3573 58.5842 28.6843 177.4586 50 K 4.2140 7.8675 118.9525 56.7911 31.8479 178.9278 51 G 4.0064 7.7775 106.6225 45.8547 0.0000 175.1387 52 Q 4.2360 7.7037 116.7632 57.0651 28.9789 176.5770 53 L 4.6373 7.4090 118.6701 51.9440 41.2725 174.2825 54 P 4.4890 0.0000 0.0000 63.6346 32.1427 176.8527 55 G 4.3258 8.9104 113.8299 46.4146 0.0000 174.9908 56 V 3.7096 6.7899 117.0031 63.2931 31.9776 175.1491 57 R 4.4583 8.1075 123.4765 54.5011 32.8003 173.8246 58 K 3.7487 8.7315 125.7834 56.3936 31.6170 175.8427 59 A 4.2300 8.3161 129.6126 52.4177 18.8794 178.1045 60 S 4.4337 8.2495 114.5061 57.2355 63.8851 175.0386 61 W 4.4671 7.8024 125.1865 57.1455 28.0751 176.6154 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 A 8.26 4.37 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.56 4.30 0.00 1.90 1.87 0.00 3.19 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 4 K 8.51 4.02 0.00 1.88 1.78 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.50 7.81 5 A 8.00 4.35 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.68 4.77 0.00 1.84 1.75 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.37 3.98 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.61 1.04 0.00 0.00 8 E 8.08 4.12 0.00 2.28 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 2.29 2.35 0.00 9 K 8.04 4.00 0.00 2.05 1.97 0.00 1.86 0.00 0.00 1.88 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.53 7.81 10 A 7.36 3.86 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.46 4.18 0.00 1.83 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.35 7.81 12 R 7.61 4.02 0.00 1.78 2.00 0.00 3.39 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 13 T 7.70 3.48 4.19 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 1.18 0.00 0.00 14 P 0.00 4.28 0.00 2.10 2.12 0.00 3.71 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 15 K 7.39 4.00 0.00 1.63 0.74 0.00 1.48 0.00 0.00 1.30 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.22 1.31 7.81 16 F 6.49 4.14 0.00 3.05 3.06 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 0.00 0.00 0.00 17 K 8.74 3.97 0.00 1.97 2.09 0.00 1.52 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.47 7.81 18 V 7.27 4.29 2.12 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 0.80 0.00 0.00 0.97 0.00 0.00 19 R 8.22 4.69 0.00 2.00 2.01 0.00 3.42 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 20 A 7.82 4.26 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 21 Y 7.23 4.34 0.00 3.07 3.01 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 22 T 8.40 4.07 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 23 R 7.91 4.75 0.00 1.79 1.80 0.00 3.41 0.00 0.00 3.49 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 24 C 8.27 4.72 0.00 3.01 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 25 V 8.42 4.00 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 0.85 0.00 0.00 1.05 0.00 0.00 26 R 7.99 4.30 0.00 1.86 1.97 0.00 3.27 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 27 C 8.07 4.27 0.00 3.09 3.07 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 0.00 0.00 0.00 28 G 7.58 3.86 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 0.00 0.00 0.00 29 R 7.95 3.98 0.00 1.93 1.86 0.00 3.24 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 30 A 8.50 4.45 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 31 R 7.25 4.66 0.00 1.86 1.83 0.00 3.14 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 32 S 8.56 3.66 0.00 4.12 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 0.00 33 V 7.66 5.06 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 1.33 0.00 0.00 1.04 0.00 0.00 34 Y 8.78 4.30 0.00 3.21 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 35 R 8.82 4.12 0.00 1.99 2.04 0.00 3.17 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 36 F 8.64 4.20 0.00 3.16 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 37 F 8.03 4.64 0.00 3.18 3.12 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 38 G 8.73 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.85 5.08 0.00 1.72 1.56 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.39 5.85 0.00 3.15 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 41 R 8.62 3.94 0.00 2.01 2.25 0.00 3.11 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 42 I 7.92 3.73 1.86 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 1.70 0.84 0.94 0.00 0.00 43 C 7.90 4.24 0.00 3.13 3.20 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 44 L 7.83 3.78 0.00 1.47 1.79 0.28 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.71 3.86 0.00 2.02 1.94 0.00 3.29 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 46 E 7.82 3.95 0.00 2.11 1.93 0.00 0.00 0.00 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 47 L 9.05 3.97 0.00 1.66 1.74 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.72 4.02 1.34 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 0.00 0.00 49 H 8.13 4.34 0.00 3.28 3.36 0.00 5.68 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 K 7.87 4.21 0.00 1.95 1.86 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.60 7.81 51 G 7.78 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 52 Q 7.70 4.24 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 53 L 7.41 4.64 0.00 1.82 1.88 0.83 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.49 0.00 2.08 2.03 0.00 3.85 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 55 G 8.91 4.33 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 0.00 56 V 6.79 3.71 2.25 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 0.73 0.00 0.00 1.18 0.00 0.00 57 R 8.11 4.46 0.00 1.92 1.75 0.00 3.33 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 58 K 8.73 3.75 0.00 1.71 1.74 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.72 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.33 7.81 59 A 8.32 4.23 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 60 S 8.25 4.43 0.00 3.88 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 61 W 7.80 4.47 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