NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 A 4.2755 8.2644 123.5813 51.7790 19.9242 176.5482 -3 M 3.9642 8.4314 121.8913 54.5460 32.9400 174.2271 -2 A 4.1841 8.1047 126.2780 52.2215 20.2450 177.4776 -1 I 3.9534 8.3604 115.0270 62.7502 38.4674 176.4915 0 S 4.6446 7.8176 115.3787 56.3388 64.3647 173.0959 1 I 4.7393 8.0787 125.1392 59.5259 40.5968 174.4632 2 T 5.0375 8.2777 115.0243 60.3385 72.0046 173.8624 3 C 4.7063 8.9864 120.8371 55.0981 42.0823 171.9640 4 P 4.6195 0.0000 0.0000 60.9933 32.5528 173.9912 5 P 4.6272 0.0000 0.0000 62.1471 31.6096 175.0257 6 P 4.5695 0.0000 0.0000 62.1494 32.0791 176.1159 7 M 4.2934 8.4205 117.3987 55.1762 31.8225 176.1423 8 S 4.4512 8.3473 114.7806 57.9193 64.4943 173.5640 9 V 4.1900 7.9274 121.6591 60.4615 33.4666 174.7759 10 E 3.9509 8.5178 126.0072 58.2296 29.8329 176.4816 11 H 3.8811 8.7902 118.5750 56.3739 26.1746 173.5922 12 A 5.2160 7.7347 119.5511 50.4673 22.7244 174.9833 13 D 4.6642 9.1190 118.0351 53.0469 45.6855 173.6903 14 I 4.5099 7.1453 119.3687 59.2296 40.9607 174.1359 15 W 4.3486 8.8182 128.8889 54.4979 29.9325 175.1274 16 V 3.7665 7.8901 123.2687 61.7465 31.3100 176.2169 17 K 4.1799 9.0207 127.5008 58.7865 32.3681 177.6388 18 S 4.6321 8.5339 112.1844 57.0250 65.3371 172.8984 19 Y 4.6236 8.7720 123.5918 58.1858 38.3690 175.6280 20 S 4.6699 7.8179 117.0650 57.3686 63.7197 173.3866 21 L 3.5251 7.6088 124.3505 57.2313 41.8644 177.4759 22 Y 4.0331 8.4187 122.0921 57.9081 36.8244 169.5447 23 S 4.3045 7.8471 115.5960 59.1845 63.5645 173.0743 24 R 5.3142 8.6342 124.1659 54.7579 31.9250 174.9442 25 E 4.8368 9.1943 121.3393 55.2023 34.8238 174.2598 26 R 5.0162 8.0609 118.4573 54.9893 34.0196 175.0414 27 Y 4.4538 8.8765 120.7823 57.7465 39.4536 175.0769 28 I 4.7356 8.9433 122.0003 59.5225 40.8225 174.6066 29 C 4.8492 9.0941 124.7904 56.9957 42.0241 173.5802 30 N 4.7215 9.2284 120.7263 52.9845 39.7490 174.5650 31 S 4.2772 8.6843 115.2722 60.3120 62.9060 174.6625 32 G 3.8967 9.3573 115.8110 44.7776 0.0000 172.3329 33 F 5.4286 8.0588 116.8737 55.6318 42.5273 174.9460 34 K 4.7351 9.3656 119.0340 54.3023 36.5186 176.0224 35 R 4.2141 8.9078 124.1970 56.7680 30.6191 175.9286 36 K 4.1127 9.2944 128.6196 56.2138 33.2446 175.9888 37 A 4.0676 8.7456 130.0012 54.2044 18.5815 177.7619 38 G 3.9699 8.9942 109.7679 45.5878 0.0000 173.2596 39 T 4.6244 7.8540 109.8996 59.6389 71.3330 172.9078 40 S 4.9681 8.3531 117.4533 56.6580 65.0068 174.4593 41 S 4.6390 8.8192 120.1243 58.9748 64.2874 173.5176 42 L 4.7127 7.8973 124.2622 55.6295 42.6139 175.9050 43 T 4.9613 9.2527 120.4552 60.4245 70.8196 172.3049 44 E 5.5190 9.3944 126.1869 54.6727 34.2271 174.3424 45 C 4.2331 8.7529 123.3953 56.1522 45.0750 172.8248 46 V 4.7613 8.4944 119.3965 59.3866 35.8082 174.0720 47 L 4.6959 8.2384 123.2212 53.3054 43.8382 175.3476 48 N 4.6086 8.9922 125.4476 53.0480 38.5208 175.5413 49 K 4.0730 8.5762 125.5869 58.1642 32.8566 178.5553 50 A 4.1460 8.2534 121.4008 54.6711 18.4304 178.1794 51 T 4.2818 7.8526 109.7772 62.7043 70.0741 175.0728 52 N 4.2257 8.3635 118.0293 53.7136 38.3162 173.2822 53 V 4.0754 7.4008 117.3339 62.0338 32.7190 174.9737 54 A 4.6890 8.5341 130.5079 52.2837 19.2320 175.7372 55 H 4.8520 8.7888 116.1596 53.9332 32.8554 172.3186 56 W 5.0931 8.7268 118.7530 56.0370 29.9267 176.9575 57 T 4.2846 8.9190 114.5101 62.0015 69.3367 174.1887 58 T 4.2470 8.4578 120.6238 62.2614 69.0736 173.2705 59 P 4.5766 0.0000 0.0000 62.6737 32.0729 176.3615 60 S 4.4220 8.4822 113.7127 58.6716 63.7411 173.7872 61 L 3.9412 7.2761 122.5746 55.2175 42.4866 176.1412 62 K 4.5235 8.6239 126.0919 54.7990 35.2556 175.0694 63 C 5.2980 8.9289 125.6287 56.0725 37.3305 173.1767 64 I 4.7241 8.6710 118.3664 58.9050 40.0957 175.4081 65 R 3.6188 8.6992 122.1069 56.6428 30.6794 176.0487 66 D 4.3804 8.8390 124.2479 54.1716 41.9058 175.6526 67 P 4.2310 0.0000 0.0000 65.8627 31.2756 178.4203 68 A 4.0377 8.3079 119.6726 54.1911 18.2259 178.5184 69 L 4.4263 7.7138 115.5227 55.8607 43.3629 178.0729 70 V 3.9004 7.8233 115.7293 62.9448 32.0677 175.2072 71 H 4.9797 7.3125 114.6992 54.8244 31.0590 174.4369 72 Q 4.1502 8.2930 118.9574 56.8302 27.9916 174.1777 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 -4 A 8.26 4.28 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 -3 M 8.43 3.96 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 -2 A 8.10 4.18 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.36 3.95 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.65 0.90 0.00 0.00 0 S 7.82 4.64 0.00 3.97 3.89 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 0.00 0.00 0.00 0.00 1 I 8.08 4.74 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.65 0.75 0.00 0.00 2 T 8.28 5.04 4.35 0.00 0.00 0.00 0.00 0.00 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 3 C 8.99 4.71 0.00 2.16 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.62 0.00 2.28 2.14 0.00 3.75 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 2.23 2.08 0.00 5 P 0.00 4.63 0.00 2.12 2.08 0.00 3.74 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 2.05 2.08 0.00 6 P 0.00 4.57 0.00 1.79 0.85 0.00 3.76 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 1.60 1.19 0.00 7 M 8.42 4.29 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 8 S 8.35 4.45 0.00 3.96 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.93 4.19 1.72 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 0.78 0.00 0.00 0.02 0.00 0.00 10 E 8.52 3.95 0.00 1.86 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 11 H 8.79 3.88 0.00 2.89 2.16 0.00 5.58 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.73 5.22 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 13 D 9.12 4.66 0.00 2.46 1.70 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 0.00 0.00 0.00 0.00 14 I 7.15 4.51 0.73 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.55 0.28 0.00 0.00 15 W 8.82 4.35 0.00 3.28 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 16 V 7.89 3.77 1.59 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 -0.13 0.00 0.00 0.29 0.00 0.00 17 K 9.02 4.18 0.00 1.90 1.86 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.42 7.81 18 S 8.53 4.63 0.00 3.78 3.71 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 19 Y 8.77 4.62 0.00 3.21 3.02 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 20 S 7.82 4.67 0.00 3.91 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 3.53 0.00 1.26 1.22 0.41 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.42 4.03 0.00 3.18 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 23 S 7.85 4.30 0.00 3.95 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 24 R 8.63 5.31 0.00 1.77 1.87 0.00 3.26 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 25 E 9.19 4.84 0.00 1.50 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.12 0.00 26 R 8.06 5.02 0.00 1.64 1.81 0.00 3.23 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 27 Y 8.88 4.45 0.00 2.84 2.89 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 0.00 0.00 0.00 0.00 28 I 8.94 4.74 2.24 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 1.35 1.10 1.05 0.00 0.00 29 C 9.09 4.85 0.00 2.96 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 30 N 9.23 4.72 0.00 2.67 2.85 0.00 0.00 6.47 7.50 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 31 S 8.68 4.28 0.00 3.91 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.36 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.06 5.43 0.00 3.02 3.05 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 34 K 9.37 4.74 0.00 1.59 1.66 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.64 7.81 35 R 8.91 4.21 0.00 1.86 1.91 0.00 3.50 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 36 K 9.29 4.11 0.00 1.94 1.69 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.42 7.81 37 A 8.75 4.07 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 38 G 8.99 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 39 T 7.85 4.62 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 1.21 0.00 0.00 40 S 8.35 4.97 0.00 3.94 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 41 S 8.82 4.64 0.00 4.23 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 0.00 42 L 7.90 4.71 0.00 1.75 1.67 1.00 0.94 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 43 T 9.25 4.96 4.57 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 0.95 0.00 0.00 44 E 9.39 5.52 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 45 C 8.75 4.23 0.00 1.64 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 46 V 8.49 4.76 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 0.75 0.00 0.00 0.83 0.00 0.00 47 L 8.24 4.70 0.00 1.56 1.53 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.99 4.61 0.00 2.84 2.83 0.00 0.00 6.88 6.73 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 49 K 8.58 4.07 0.00 1.80 1.86 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.61 7.81 50 A 8.25 4.15 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 51 T 7.85 4.28 4.24 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 1.21 0.00 0.00 52 N 8.36 4.23 0.00 2.84 2.91 0.00 0.00 7.09 8.39 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 53 V 7.40 4.08 2.09 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 0.90 0.00 0.00 0.92 0.00 0.00 54 A 8.53 4.69 1.04 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 55 H 8.79 4.85 0.00 3.19 3.35 0.00 5.26 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 W 8.73 5.09 0.00 3.31 3.26 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 57 T 8.92 4.28 4.34 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 1.29 0.00 0.00 58 T 8.46 4.25 4.27 0.00 0.00 0.00 0.00 0.00 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 59 P 0.00 4.58 0.00 2.08 2.21 0.00 3.63 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 60 S 8.48 4.42 0.00 3.89 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 61 L 7.28 3.94 0.00 1.77 1.50 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.62 4.52 0.00 1.86 1.61 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.51 7.81 63 C 8.93 5.30 0.00 2.84 3.08 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 64 I 8.67 4.72 1.92 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 1.44 0.93 0.96 0.00 0.00 65 R 8.70 3.62 0.00 1.64 1.75 0.00 3.08 0.00 0.00 2.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 66 D 8.84 4.38 0.00 2.67 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.23 0.00 2.17 2.20 0.00 3.74 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 2.03 1.99 0.00 68 A 8.31 4.04 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 69 L 7.71 4.43 0.00 1.68 1.65 0.86 0.85 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 70 V 7.82 3.90 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 0.84 0.00 0.00 0.85 0.00 0.00 71 H 7.31 4.98 0.00 3.34 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.29 4.15 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.65 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00