NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1554 8.2649 123.5823 52.6589 19.4835 175.6443 3 K 3.5029 7.6317 123.6855 53.7679 32.0437 173.5082 4 D 4.1750 8.1561 114.9293 52.4255 41.9720 173.5787 5 G 2.9512 9.6393 109.6316 43.9196 0.0000 170.2239 6 P 4.1493 0.0000 0.0000 61.9944 29.6417 175.2768 7 R 4.5749 7.5134 122.4404 55.1544 37.0684 175.2170 8 I 4.3824 7.2848 118.4770 59.4159 41.5968 173.1274 9 I 3.4437 8.2836 125.9378 60.1358 38.3523 172.6651 10 V 4.5734 8.0678 123.0418 59.9420 34.4949 175.4902 11 K 4.6904 8.3782 118.2653 56.1405 32.6001 175.7047 12 M 4.6980 7.5381 117.2356 54.3333 35.4466 176.8119 13 E 4.6276 8.6031 118.2475 56.4719 30.2153 175.0496 14 S 4.2655 8.2200 113.9485 58.5373 62.9056 171.9884 15 S 4.4943 7.8174 110.2335 58.2344 64.3281 175.8586 16 A 4.5393 8.2388 127.8284 49.4570 21.5672 175.5285 17 G 3.4716 8.4333 112.6812 46.6687 0.0000 174.3400 18 T 3.2350 8.5834 111.7821 62.1406 68.8225 172.4483 19 G 3.4048 6.9128 110.4885 43.3069 0.0000 173.5362 20 F 4.1993 5.4600 116.7229 58.1019 38.8574 174.5232 21 Y 5.3030 7.7484 117.3612 57.8891 41.7516 174.3188 22 Y 4.3500 8.9203 121.1453 58.4712 38.8054 177.7929 23 T 3.8063 8.2128 117.6179 63.2182 67.6357 172.1723 24 T 4.3014 8.5531 112.9849 61.5856 66.4213 171.2601 25 T 4.8206 7.4132 105.6142 59.3106 72.2711 173.0245 26 K 4.7222 7.8167 120.6402 56.7302 35.1015 173.0841 27 N 4.3524 7.5635 122.1823 52.0985 43.8619 174.6294 28 R 4.6137 6.4178 120.0843 55.4536 34.5359 175.2437 29 R 4.1428 8.4256 118.3839 57.3515 29.6394 177.6984 30 N 4.3734 8.1986 117.5835 56.7126 38.4957 176.0150 31 T 4.2018 7.5272 105.4645 60.5290 69.9148 173.6028 32 Q 3.9969 8.4316 120.1651 56.4936 29.1074 176.6657 33 A 4.5261 8.1787 122.2313 51.3458 20.5841 174.5639 34 K 3.9343 8.0556 117.8859 57.1803 30.8848 176.4939 35 L 4.0969 7.7180 123.4450 56.0161 43.3098 177.0443 36 E 4.9684 7.8871 117.8700 55.6047 30.9859 175.2575 37 L 4.3020 7.9558 121.6231 54.6054 43.3574 177.5262 38 K 4.4228 7.7839 121.6161 56.7969 35.6282 174.2034 39 K 4.2198 8.4464 125.6391 57.2892 36.1150 172.8406 40 Y 3.7871 8.9665 124.3141 56.0732 39.4026 168.4148 41 D 4.4619 8.2563 124.5242 54.2723 42.9462 174.6204 42 P 5.1607 0.0000 0.0000 62.7119 30.9918 176.4728 43 V 3.7495 8.7799 108.1591 62.6481 32.3907 175.4892 44 A 4.2927 7.4373 125.0481 50.3857 24.7789 179.2882 45 K 3.7629 9.7490 120.8168 59.3328 29.9879 174.8703 46 K 4.4418 8.2268 119.6199 57.4684 36.1783 176.0848 47 H 4.7518 8.0127 115.8525 55.2757 35.8582 175.2773 48 V 3.2469 7.7817 119.1539 60.1363 32.7657 172.5371 49 V 3.0090 8.5410 115.4349 64.7074 30.0100 173.4964 50 F 4.3999 9.0691 126.6519 57.1694 38.0070 175.3228 51 R 4.5797 8.4766 120.3974 55.1068 35.0326 173.2365 52 E 3.7623 8.1397 123.5261 55.8219 29.1692 172.4212 53 K 4.2461 7.5074 124.6547 55.5389 39.6353 174.9382 54 K 4.1740 7.9335 125.6328 56.4238 32.2019 176.2805 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 4.16 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 3 K 7.63 3.50 0.00 1.97 1.81 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.49 7.81 4 D 8.16 4.17 0.00 2.72 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 5 G 9.64 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 0.00 0.00 0.00 6 P 0.00 4.15 0.00 2.06 2.06 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 7 R 7.51 4.57 0.00 1.73 1.77 0.00 3.23 0.00 0.00 3.15 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 8 I 7.28 4.38 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 1.30 1.07 0.91 0.00 0.00 9 I 8.28 3.44 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 1.47 0.81 0.91 0.00 0.00 10 V 8.07 4.57 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 0.86 0.00 0.00 0.96 0.00 0.00 11 K 8.38 4.69 0.00 1.71 1.79 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.48 7.81 12 M 7.54 4.70 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 13 E 8.60 4.63 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 2.69 2.53 0.00 14 S 8.22 4.27 0.00 4.30 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.82 4.49 0.00 3.83 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 16 A 8.24 4.54 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.43 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.58 3.23 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 19 G 6.91 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 0.00 0.00 0.00 20 F 5.46 4.20 0.00 3.02 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 5.30 0.00 2.97 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 22 Y 8.92 4.35 0.00 3.07 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.21 3.81 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 24 T 8.55 4.30 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 1.16 0.00 0.00 25 T 7.41 4.82 4.20 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 1.23 0.00 0.00 26 K 7.82 4.72 0.00 1.68 1.74 0.00 1.97 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.53 1.65 7.81 27 N 7.56 4.35 0.00 2.72 2.60 0.00 0.00 5.70 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 28 R 6.42 4.61 0.00 1.92 2.15 0.00 3.14 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.38 0.00 29 R 8.43 4.14 0.00 1.84 1.94 0.00 3.28 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 1.64 1.66 0.00 30 N 8.20 4.37 0.00 2.69 2.88 0.00 0.00 6.90 7.09 0.00 0.00 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 T 7.53 4.20 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 1.20 0.00 0.00 32 Q 8.43 4.00 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 33 A 8.18 4.53 1.23 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 34 K 8.06 3.93 0.00 1.91 1.81 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.47 7.81 35 L 7.72 4.10 0.00 1.60 1.58 0.92 0.83 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 36 E 7.89 4.97 0.00 1.90 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 37 L 7.96 4.30 0.00 1.66 1.60 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.78 4.42 0.00 1.74 1.59 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.74 7.81 39 K 8.45 4.22 0.00 1.79 1.28 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.17 1.30 7.81 40 Y 8.97 3.79 0.00 2.93 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 41 D 8.26 4.46 0.00 2.41 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 0.00 0.00 0.00 0.00 42 P 0.00 5.16 0.00 2.10 1.15 0.00 3.91 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 1.92 1.88 0.00 43 V 8.78 3.75 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 0.51 0.00 0.00 0.80 0.00 0.00 44 A 7.44 4.29 0.95 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 0.00 0.00 45 K 9.75 3.76 0.00 1.83 1.62 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.48 7.81 46 K 8.23 4.44 0.00 1.67 1.63 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.35 7.81 47 H 8.01 4.75 0.00 3.12 3.30 0.00 5.85 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.78 3.25 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 0.33 0.00 0.00 0.76 0.00 0.00 49 V 8.54 3.01 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 0.77 0.00 0.00 0.91 0.00 0.00 50 F 9.07 4.40 0.00 3.29 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 51 R 8.48 4.58 0.00 1.75 1.91 0.00 3.35 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 52 E 8.14 3.76 0.00 2.38 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 2.32 2.36 0.00 53 K 7.51 4.25 0.00 1.61 1.60 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 1.39 7.81 54 K 7.93 4.17 0.00 1.75 1.65 0.00 1.95 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.38 7.81