NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2897 8.3293 118.8159 55.5753 29.9548 174.2875 2 V 3.7409 7.9465 117.6385 61.0046 32.0703 174.0697 3 Y 3.9414 9.4444 120.4855 57.4597 38.9189 176.9737 4 K 4.3857 8.5941 125.7006 54.9896 32.6041 177.4829 5 G 3.9706 8.3382 119.4635 42.8550 0.0000 172.9987 6 G 4.6459 7.0789 109.4225 45.7646 0.0000 173.0595 7 Y 3.9191 7.9877 118.5194 58.2599 38.9338 174.0534 8 A 3.7675 8.2735 134.5939 52.7035 17.0613 177.2809 9 R 4.2315 7.4324 115.1720 54.4908 30.9759 173.7597 10 P 4.4200 0.0000 0.0000 63.8189 32.4401 176.4597 11 I 3.2591 8.3393 123.4459 61.9705 34.3633 173.8660 12 P 4.5604 0.0000 0.0000 61.2957 30.2385 176.0629 13 R 3.9718 7.7458 122.6401 56.2090 30.9093 174.4173 14 P 4.4771 0.0000 0.0000 61.7163 32.1541 174.4054 15 P 4.4722 0.0000 0.0000 61.7811 32.1005 174.5918 16 P 4.6232 0.0000 0.0000 61.7556 32.9541 175.5790 17 F 4.3271 8.6360 119.8021 58.4288 39.8436 174.6532 18 V 4.0817 6.3894 124.5526 60.2336 34.1343 175.1647 19 R 3.8313 8.2325 126.3007 55.5573 29.9735 174.6825 20 P 4.4188 0.0000 0.0000 62.1264 32.4442 175.4081 21 L 4.5397 7.9676 119.0839 52.3002 43.1098 173.6578 22 P 4.4236 0.0000 0.0000 62.6366 32.0056 176.2522 23 G 3.6392 8.6768 111.1314 47.1513 0.0000 175.3255 24 G 4.0164 7.9521 104.6162 43.4078 0.0000 170.9848 25 P 4.4474 0.0000 0.0000 62.4185 32.0021 176.3250 26 I 4.0429 8.1358 120.6337 61.6648 38.3672 175.4463 27 G 3.9155 8.4672 111.8172 45.9831 0.0000 171.5973 28 P 4.3569 0.0000 0.0000 65.8798 32.8132 177.9638 29 Y 4.2025 7.7700 120.8936 56.3647 37.1208 174.3224 30 N 5.1531 7.8323 117.4270 51.8984 40.6456 175.0979 31 G 4.8606 7.3685 109.3447 45.9780 0.0000 175.3955 32 C 4.9790 7.1678 112.9190 55.0987 43.1945 170.8091 33 P 4.6419 0.0000 0.0000 61.7657 32.0825 178.7376 34 V 3.6639 8.4396 119.8192 66.0951 30.7472 177.2628 35 S 4.1812 8.1158 113.2120 59.1215 62.4282 174.8681 36 C 4.2971 7.9080 115.7303 58.3515 38.0164 172.8021 37 R 4.6475 7.4385 117.8529 55.8133 31.6477 176.5604 38 G 3.9366 9.3997 108.7780 45.7236 0.0000 173.0412 39 I 4.6644 7.2429 110.3355 57.8015 40.7987 175.4964 40 S 4.4796 8.3027 117.6309 57.7711 64.8764 175.4487 41 F 4.0669 8.6874 124.4582 61.8352 39.1721 177.2144 42 S 4.0209 8.2013 112.1593 61.2049 62.3361 175.9382 43 Q 3.9116 7.9189 120.2517 58.9186 28.5200 178.3965 44 A 3.9410 8.0614 121.8314 55.1282 18.3500 179.9203 45 R 3.6924 7.6576 116.6555 59.2464 30.0601 179.1742 46 S 4.1194 8.0742 113.0000 61.6071 62.4252 175.5002 47 C 4.2621 8.0449 120.7285 59.4778 43.2167 174.5753 48 C 4.7346 7.8728 121.4141 59.1091 42.9986 175.3036 49 S 4.0426 7.4847 111.4373 60.4017 62.1173 175.8219 50 R 4.2557 7.6499 120.3307 58.3833 29.9473 177.6225 51 L 4.6356 8.0439 115.0872 54.2288 43.9664 176.0252 52 G 3.9963 8.1976 105.7203 46.6687 0.0000 174.1819 53 R 4.5342 7.6139 117.1753 55.1627 33.1846 176.5410 54 C 4.2125 8.6471 117.4904 58.3916 36.9401 174.4492 55 C 4.2665 8.0368 115.6816 58.1467 41.1406 174.4044 56 H 4.7899 7.8067 119.2477 55.2328 29.8636 174.3212 57 V 3.5968 7.6563 118.6252 63.6106 32.0378 174.2301 58 G 4.0010 10.6573 117.3515 46.0487 0.0000 172.3642 59 K 4.2533 8.4770 122.8549 56.3798 35.0107 176.2129 60 G 3.9215 8.6763 114.5149 44.6122 0.0000 172.2295 61 Y 4.3505 8.3049 119.1773 57.3617 39.4217 174.7504 62 S 4.2519 6.4396 117.7018 57.3061 66.2622 174.2067 63 G 4.0548 8.4110 109.2438 46.1776 0.0000 173.6221 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 Q 8.33 4.29 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 2 V 7.95 3.74 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 0.72 0.00 0.00 1.01 0.00 0.00 3 Y 9.44 3.94 0.00 2.99 3.03 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 0.00 0.00 0.00 4 K 8.59 4.39 0.00 1.77 1.85 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.43 7.81 5 G 8.34 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.08 4.65 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 0.00 0.00 0.00 7 Y 7.99 3.92 0.00 2.93 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 8 A 8.27 3.77 1.06 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 0.00 0.00 9 R 7.43 4.23 0.00 1.87 1.84 0.00 3.20 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 10 P 0.00 4.42 0.00 2.22 2.04 0.00 3.96 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 1.98 1.97 0.00 11 I 8.34 3.26 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.44 0.92 0.00 0.00 12 P 0.00 4.56 0.00 2.22 2.13 0.00 3.88 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 2.03 2.07 0.00 13 R 7.75 3.97 0.00 1.81 1.91 0.00 3.41 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 14 P 0.00 4.48 0.00 2.24 2.06 0.00 3.84 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 15 P 0.00 4.47 0.00 2.19 2.09 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 16 P 0.00 4.62 0.00 2.27 2.18 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 17 F 8.64 4.33 0.00 3.00 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 18 V 6.39 4.08 1.76 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 0.80 0.00 0.00 0.84 0.00 0.00 19 R 8.23 3.83 0.00 1.80 1.80 0.00 3.30 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 20 P 0.00 4.42 0.00 2.23 2.07 0.00 3.85 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 2.06 2.10 0.00 21 L 7.97 4.54 0.00 1.52 1.57 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.42 0.00 2.23 2.05 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 23 G 8.68 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 0.00 0.00 0.00 0.00 24 G 7.95 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 25 P 0.00 4.45 0.00 2.19 2.07 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 26 I 8.14 4.04 1.88 0.00 0.00 0.87 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 0.83 0.92 0.00 0.00 27 G 8.47 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.24 2.22 0.00 3.82 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 2.07 1.99 0.00 29 Y 7.77 4.20 0.00 3.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.83 5.15 0.00 2.81 2.74 0.00 0.00 7.17 7.70 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 31 G 7.37 4.86 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 32 C 7.17 4.98 0.00 2.67 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.64 0.00 2.28 2.19 0.00 3.69 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 2.06 2.01 0.00 34 V 8.44 3.66 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 0.81 0.00 0.00 1.05 0.00 0.00 35 S 8.12 4.18 0.00 3.92 3.85 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 0.00 0.00 0.00 36 C 7.91 4.30 0.00 3.19 3.15 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 37 R 7.44 4.65 0.00 1.96 1.83 0.00 3.36 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 38 G 9.40 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.24 4.66 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 0.93 0.00 0.00 40 S 8.30 4.48 0.00 4.00 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 41 F 8.69 4.07 0.00 3.11 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 42 S 8.20 4.02 0.00 4.01 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 43 Q 7.92 3.91 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 44 A 8.06 3.94 1.24 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 0.00 0.00 45 R 7.66 3.69 0.00 1.88 1.82 0.00 2.38 0.00 0.00 2.90 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.99 0.00 46 S 8.07 4.12 0.00 4.00 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 47 C 8.04 4.26 0.00 2.98 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 48 C 7.87 4.73 0.00 3.08 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 49 S 7.48 4.04 0.00 3.93 3.84 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 50 R 7.65 4.26 0.00 2.04 1.93 0.00 3.21 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 51 L 8.04 4.64 0.00 1.50 1.62 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.20 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.61 4.53 0.00 1.78 1.79 0.00 3.62 0.00 0.00 3.47 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 54 C 8.65 4.21 0.00 3.07 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 55 C 8.04 4.27 0.00 2.96 3.14 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 56 H 7.81 4.79 0.00 3.04 3.28 0.00 5.92 0.00 0.00 0.00 0.00 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.66 3.60 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.94 0.00 0.00 58 G 10.66 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.48 4.25 0.00 1.68 1.65 0.00 1.89 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.46 7.81 60 G 8.68 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.30 4.35 0.00 2.93 2.94 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 0.00 0.00 0.00 62 S 6.44 4.25 0.00 3.74 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.41 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00