NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5985 8.1633 120.6481 55.4894 34.0590 173.6822 2 I 4.8777 8.5483 126.2608 59.2898 39.5981 173.3129 3 I 4.5476 8.5948 128.5134 59.8351 39.2860 174.2419 4 N 5.3076 8.7941 123.6572 50.8160 40.2416 173.9794 5 N 4.8884 8.3433 117.1037 53.0437 39.6281 176.9516 6 L 3.7533 8.1434 122.7197 58.0296 41.9893 178.3808 7 K 3.9270 8.0192 119.0670 59.8479 31.9729 178.4627 8 L 3.9631 7.7656 118.3860 57.7565 41.6335 179.4979 9 I 3.6696 7.6677 119.7409 64.2157 37.0769 178.3358 10 R 3.8594 8.1695 119.7985 59.6499 29.8695 178.4298 11 E 3.9545 8.4068 118.5012 59.2329 29.2147 179.1544 12 K 3.9000 8.0302 118.8578 59.3985 32.3536 178.1997 13 K 4.2127 7.8334 115.3597 55.8881 32.1989 176.9316 14 K 3.8608 7.9253 117.8211 57.4850 29.9712 175.2521 15 I 4.8260 7.7558 119.0890 59.0611 38.5999 177.0388 16 S 4.4957 8.5198 120.4354 57.6000 65.3829 175.2406 17 Q 4.0187 8.5165 121.2582 59.2698 28.4903 179.4094 18 S 4.1266 8.0182 114.7318 61.2050 63.0770 175.9609 19 E 3.8749 8.0847 122.6885 59.0175 29.4474 178.5909 20 L 3.9054 8.0178 120.0938 58.0068 42.1824 178.6070 21 A 3.9838 8.1904 120.5812 55.1951 18.1823 179.4370 22 A 3.9089 8.0153 119.1296 55.2685 18.2462 179.6303 23 L 3.7356 7.6019 117.6230 57.8712 42.2659 178.3711 24 L 4.2397 7.8280 115.7454 53.7893 42.5587 176.1372 25 E 3.7611 7.7223 117.8020 57.7909 27.4312 173.5428 26 V 4.5727 7.6796 109.6982 58.6913 35.9583 176.5492 27 S 4.4630 8.2302 115.2199 58.0514 65.0599 174.9812 28 R 3.8790 8.5121 123.0124 59.7456 29.7534 178.4781 29 Q 3.9907 8.1607 118.8396 59.5490 29.0268 178.4435 30 T 4.4561 7.9425 117.9063 66.2772 68.5307 176.6340 31 I 3.7392 7.5395 121.7139 64.4719 37.0787 178.0491 32 N 4.4020 8.5838 118.3127 56.5474 38.7695 177.0332 33 G 3.4986 8.4774 107.5240 47.7897 0.0000 175.6885 34 I 3.5905 7.4655 122.0672 64.2283 36.9574 178.5248 35 E 4.0425 7.9307 117.9334 58.7105 29.2880 178.5079 36 K 4.3012 7.9563 116.4752 55.2874 32.3506 176.2175 37 N 4.1980 7.7694 115.3826 54.2820 36.5276 175.9139 38 K 4.1480 7.9031 119.5008 58.7575 32.8494 176.8068 39 Y 4.6130 6.5752 114.6525 56.6302 39.6828 172.2522 40 N 5.0123 8.8058 118.3678 51.4273 39.8986 173.7821 41 P 4.5650 0.0000 0.0000 62.0919 32.3788 176.7918 42 S 4.2526 8.3255 114.3118 58.1321 64.7268 174.9250 43 L 3.8036 8.3558 123.9663 58.5471 41.7880 179.0200 44 Q 3.9145 7.9726 118.7839 59.1207 28.9466 177.8984 45 L 3.9680 7.9889 121.1704 57.9376 42.1667 178.5076 46 A 3.9247 8.0197 120.8719 55.4206 18.2535 179.6903 47 L 4.0474 8.1111 117.3054 57.8092 41.6677 179.9585 48 K 4.0561 8.2265 118.5710 59.3688 31.9209 179.3646 49 I 3.8739 8.2931 120.2512 64.6145 37.1135 178.3889 50 A 4.0745 8.3199 121.4711 55.1267 18.2236 179.0009 51 Y 3.8355 8.2019 118.0537 61.3201 38.7259 178.0866 52 Y 4.2748 8.0920 116.1840 60.7144 38.1651 177.3494 53 L 4.2557 8.2836 117.2998 54.1539 42.5614 176.0875 54 N 4.0821 7.7813 116.6726 54.6435 37.9093 174.1535 55 T 4.6614 7.6380 111.4508 60.7911 72.9679 172.9580 56 P 4.2753 0.0000 0.0000 62.9003 32.1035 176.8725 57 L 4.0976 8.8824 123.9743 58.6742 41.7035 178.9183 58 E 4.6492 8.0300 117.2312 57.9760 29.6670 178.1918 59 D 4.4963 8.0134 118.5066 56.3500 41.0588 177.7628 60 I 4.1322 7.5165 119.6438 61.2793 37.8598 174.8563 61 F 4.9778 8.3458 119.7675 55.8378 42.0251 174.7105 62 Q 4.8285 9.0703 124.6977 53.5072 30.6637 175.2244 63 W 4.7492 8.9628 135.0000 57.5016 31.6494 175.4203 64 Q 4.0782 8.3130 127.0476 53.8278 28.6120 174.2749 65 P 2.0000 0.0000 0.0000 61.9360 31.9673 176.3754 66 E 4.0815 7.6994 122.1807 56.5563 29.6123 174.4647 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 8.16 4.60 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 2 I 8.55 4.88 2.17 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.10 1.18 0.00 0.00 3 I 8.59 4.55 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 0.90 0.00 0.00 4 N 8.79 5.31 0.00 2.38 2.87 0.00 0.00 6.03 8.04 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 5 N 8.34 4.89 0.00 2.71 2.72 0.00 0.00 6.79 7.43 0.00 0.00 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 8.14 3.75 0.00 1.53 1.69 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.02 3.93 0.00 1.83 1.77 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.53 7.81 8 L 7.77 3.96 0.00 1.69 1.67 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.67 3.67 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.84 0.89 0.00 0.00 10 R 8.17 3.86 0.00 1.92 2.10 0.00 3.10 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 1.80 1.69 0.00 11 E 8.41 3.95 0.00 2.21 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 0.00 2.32 2.45 0.00 12 K 8.03 3.90 0.00 2.15 1.97 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.36 7.81 13 K 7.83 4.21 0.00 1.93 1.84 0.00 1.90 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.60 7.81 14 K 7.93 3.86 0.00 1.90 1.91 0.00 1.70 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.54 7.81 15 I 7.76 4.83 1.98 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 0.99 1.84 0.91 0.00 0.00 16 S 8.52 4.50 0.00 4.05 3.99 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 17 Q 8.52 4.02 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 18 S 8.02 4.13 0.00 4.04 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 19 E 8.08 3.87 0.00 2.09 2.23 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 2.29 2.30 0.00 20 L 8.02 3.91 0.00 1.82 1.78 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.19 3.98 1.47 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 22 A 8.02 3.91 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.60 3.74 0.00 1.50 1.72 0.48 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.83 4.24 0.00 1.67 1.72 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.72 3.76 0.00 2.03 1.99 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 2.23 2.23 0.00 26 V 7.68 4.57 2.11 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 0.80 0.00 0.00 0.97 0.00 0.00 27 S 8.23 4.46 0.00 4.06 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 28 R 8.51 3.88 0.00 1.91 1.99 0.00 3.20 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 29 Q 8.16 3.99 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 30 T 7.94 4.46 4.51 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 1.34 0.00 0.00 31 I 7.54 3.74 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.86 0.93 0.00 0.00 32 N 8.58 4.40 0.00 2.95 2.83 0.00 0.00 7.15 8.61 0.00 0.00 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 G 8.48 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.47 3.59 2.04 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.63 1.09 0.00 0.00 35 E 7.93 4.04 0.00 2.07 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 2.39 2.43 0.00 36 K 7.96 4.30 0.00 1.65 1.80 0.00 1.86 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.60 7.81 37 N 7.77 4.20 0.00 2.86 2.89 0.00 0.00 6.94 7.76 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 38 K 7.90 4.15 0.00 1.68 2.06 0.00 1.80 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.35 7.81 39 Y 6.58 4.61 0.00 3.17 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 40 N 8.81 5.01 0.00 2.78 2.77 0.00 0.00 6.96 8.02 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 41 P 0.00 4.57 0.00 2.06 2.08 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.68 0.00 42 S 8.33 4.25 0.00 4.03 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 43 L 8.36 3.80 0.00 1.71 1.67 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.97 3.91 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 45 L 7.99 3.97 0.00 1.83 1.63 0.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.02 3.92 1.03 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 0.00 0.00 47 L 8.11 4.05 0.00 1.87 1.74 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.23 4.06 0.00 2.08 2.04 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.64 7.81 49 I 8.29 3.87 2.31 0.00 0.00 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 1.61 0.90 1.09 0.00 0.00 50 A 8.32 4.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.20 3.84 0.00 3.06 2.96 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 0.00 0.00 0.00 0.00 52 Y 8.09 4.27 0.00 3.26 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 53 L 8.28 4.26 0.00 1.75 1.74 0.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.78 4.08 0.00 2.71 2.77 0.00 0.00 6.87 7.89 0.00 0.00 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 T 7.64 4.66 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 1.20 0.00 0.00 56 P 0.00 4.28 0.00 2.19 2.01 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 2.12 2.09 0.00 57 L 8.88 4.10 0.00 1.80 1.77 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.03 4.65 0.00 2.01 2.07 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 2.40 2.41 0.00 59 D 8.01 4.50 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.52 4.13 1.73 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.82 0.19 0.00 0.00 61 F 8.35 4.98 0.00 2.97 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 62 Q 9.07 4.83 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.60 2.28 0.00 63 W 8.96 4.75 0.00 3.28 3.23 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 64 Q 8.31 4.08 0.00 1.70 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 65 P 0.00 2.00 0.00 1.75 1.70 0.00 3.36 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 66 E 7.70 4.08 0.00 1.71 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 2.23 2.28 0.00