NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9920 8.3393 109.7363 44.5663 0.0000 173.8589 2 S 4.3007 8.0865 111.7105 54.9154 66.4654 173.1532 3 S 4.1487 8.8794 119.6214 58.1609 60.8728 174.8838 4 G 3.4699 7.7793 114.3273 44.6347 0.0000 171.8610 5 S 4.0184 8.2855 121.1630 57.9316 61.7390 170.6008 6 S 3.6295 8.3386 118.4621 58.2727 62.1408 169.0446 7 G 3.5583 8.9555 116.4002 45.5131 0.0000 173.3150 8 L 3.4141 8.4155 129.4349 54.1185 42.1246 173.9530 9 D 4.8054 8.0461 119.0261 51.8603 43.5053 176.6234 10 E 4.0405 8.7203 124.5213 59.3303 29.9550 178.7259 11 S 4.0733 8.2063 115.7114 61.6804 62.8483 177.0348 12 V 3.5605 7.6687 119.8823 65.9779 31.3788 177.7334 13 I 3.6684 7.2582 118.3106 64.6945 36.9630 177.9252 14 I 3.7757 8.6218 121.3802 65.2601 36.9174 177.6717 15 Q 3.9842 7.9775 117.2465 59.4700 28.1270 179.3368 16 L 4.0216 8.1941 119.1403 58.4271 41.8104 180.1168 17 V 3.9093 8.5776 119.5239 65.6276 31.1402 177.8701 18 E 4.0841 8.6142 117.9187 59.2409 29.3985 178.7380 19 M 4.3457 8.2962 118.2568 56.0660 32.9882 176.5414 20 G 4.2644 7.8795 108.9994 46.4367 0.0000 173.0786 21 F 4.9586 8.0792 116.1833 53.8592 43.6063 173.2524 22 P 4.4601 0.0000 0.0000 62.8891 32.2024 176.0933 23 M 3.8843 8.9248 122.4693 59.1988 31.9639 177.5289 24 D 4.7231 8.1266 117.4271 57.7485 41.0760 178.9356 25 A 4.0692 7.9912 120.0650 55.7836 17.9398 179.2723 26 C 4.1613 8.7611 115.2904 63.1228 28.2854 176.4841 27 R 4.0023 8.9862 120.0952 58.1840 29.6081 179.2969 28 K 3.6732 8.1657 119.1426 59.6793 32.1309 178.3693 29 A 2.5800 7.8925 120.7399 54.6154 18.0558 179.3775 30 V 3.5538 7.5091 115.6989 66.1789 31.7373 177.3291 31 Y 4.0961 7.7236 117.3911 61.2241 38.0899 177.5658 32 Y 3.7418 7.8854 119.4496 61.6287 38.4579 179.2697 33 T 3.9474 8.3050 110.6218 62.6459 68.6154 174.2475 34 G 3.2794 8.1544 109.4299 46.9378 0.0000 172.7341 35 N 3.9359 8.7233 118.9494 54.1892 37.5788 174.4670 36 S 4.5136 8.1065 125.2394 57.0051 64.3914 175.3520 37 G 3.9923 7.8216 102.2654 45.6543 0.0000 174.9784 38 A 3.9266 8.4756 119.9229 55.1163 18.4631 179.4403 39 E 3.9518 8.2974 116.4923 59.8010 29.6054 179.4370 40 A 3.9696 8.0355 119.3487 55.2118 18.5298 178.9246 41 A 3.9398 7.7963 118.5784 55.8531 18.0372 179.3181 42 M 3.8021 9.1937 117.2547 58.8894 32.1080 178.1830 43 N 4.1647 8.3352 116.8100 56.9326 39.0358 176.0762 44 W 4.2424 8.2259 129.0683 60.7510 30.5733 178.2011 45 V 3.5072 8.0077 117.7432 66.3243 30.8653 177.9446 46 M 3.4080 8.7510 117.5222 58.0555 31.8059 178.6032 47 S 4.2253 8.0846 115.5984 61.2393 62.9024 176.1807 48 H 3.6248 8.0080 119.2081 58.9556 28.2032 177.6538 49 M 3.4956 7.4980 118.4147 58.5211 30.6179 177.4625 50 D 4.3474 7.2216 118.1053 55.9027 41.8363 176.1660 51 D 4.9590 8.5632 118.9109 51.7518 42.8430 175.4259 52 P 4.6366 0.0000 0.0000 64.4967 31.7324 176.1622 53 D 5.2160 7.8587 117.7124 53.0173 39.9966 177.4819 54 F 4.6160 7.9302 121.8126 61.6251 39.8018 176.8144 55 A 3.5504 8.0654 121.5125 54.7205 18.4646 177.4363 56 N 4.2245 8.1056 112.5809 52.5348 39.3903 172.9745 57 P 4.7113 0.0000 0.0000 61.8018 32.8063 175.7459 58 L 4.3261 8.1575 117.9294 54.1817 42.0740 176.9811 59 I 3.6720 8.1928 120.0428 62.1842 37.5020 175.6871 60 L 4.6905 8.1927 123.8083 52.5778 43.5726 175.8465 61 P 4.4771 0.0000 0.0000 62.7752 29.2866 174.3123 62 G 3.7244 7.7697 114.8960 45.4975 0.0000 169.3350 63 S 4.0295 8.0758 117.0208 59.6686 63.5834 173.3187 64 S 4.5754 8.9277 117.4938 59.4088 64.6739 175.3691 65 G 4.0395 7.6360 112.9718 41.8486 0.0000 170.4099 66 P 4.5087 0.0000 0.0000 62.9000 32.9346 177.7392 67 G 4.1722 8.2346 107.0165 43.6576 0.0000 171.7643 68 S 4.6697 7.6534 113.2583 57.0869 66.1805 171.9019 69 S 4.2408 8.2850 117.6476 59.2452 63.9076 171.8351 70 G 3.7150 8.1218 120.8504 44.2095 0.0000 170.3476 71 P 4.3778 0.0000 0.0000 61.8228 32.1256 176.4910 72 S 4.1427 8.8349 118.5817 61.0740 62.4901 174.2291 73 S 4.7540 7.7788 114.7025 56.9663 64.6329 174.6076 74 G 3.7344 8.3899 109.9260 45.8315 0.0000 173.1297 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 G 8.34 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 0.00 0.00 0.00 2 S 8.09 4.30 0.00 4.01 3.79 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 0.00 0.00 0.00 3 S 8.88 4.15 0.00 3.85 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 4 G 7.78 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 5 S 8.29 4.02 0.00 4.04 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 6 S 8.34 3.63 0.00 4.02 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 7 G 8.96 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.42 3.41 0.00 1.72 1.61 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.05 4.81 0.00 2.81 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.72 4.04 0.00 2.18 2.19 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 2.35 2.39 0.00 11 S 8.21 4.07 0.00 3.88 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 12 V 7.67 3.56 2.21 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 1.02 0.00 0.00 0.93 0.00 0.00 13 I 7.26 3.67 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.77 0.92 0.00 0.00 14 I 8.62 3.78 2.10 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 1.53 0.67 0.93 0.00 0.00 15 Q 7.98 3.98 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 16 L 8.19 4.02 0.00 1.87 1.67 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.58 3.91 2.36 0.00 0.00 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 0.00 0.00 1.10 0.00 0.00 18 E 8.61 4.08 0.00 2.16 2.04 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 2.38 2.38 0.00 19 M 8.30 4.35 0.00 2.33 2.64 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.66 0.00 20 G 7.88 4.26 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 0.00 21 F 8.08 4.96 0.00 3.04 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 P 0.00 4.46 0.00 2.18 2.15 0.00 4.06 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 1.68 1.86 0.00 23 M 8.92 3.88 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.73 0.00 24 D 8.13 4.72 0.00 2.68 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 25 A 7.99 4.07 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 26 C 8.76 4.16 0.00 3.08 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 27 R 8.99 4.00 0.00 1.87 1.85 0.00 3.08 0.00 0.00 3.11 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 28 K 8.17 3.67 0.00 2.06 2.09 0.00 2.19 0.00 0.00 1.83 0.00 0.00 3.12 0.00 0.00 3.58 0.00 0.00 0.00 0.00 1.39 1.62 7.81 29 A 7.89 2.58 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 0.00 0.00 0.00 0.00 0.00 30 V 7.51 3.55 2.02 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 1.17 0.00 0.00 0.97 0.00 0.00 31 Y 7.72 4.10 0.00 2.90 2.59 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 32 Y 7.89 3.74 0.00 2.21 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.30 3.95 4.21 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 1.06 0.00 0.00 34 G 8.15 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 0.00 0.00 0.00 35 N 8.72 3.94 0.00 2.74 2.79 0.00 0.00 6.79 5.92 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 36 S 8.11 4.51 0.00 3.83 3.76 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 0.00 0.00 0.00 0.00 37 G 7.82 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 0.00 0.00 0.00 38 A 8.48 3.93 1.32 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 0.00 0.00 0.00 39 E 8.30 3.95 0.00 2.02 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 2.42 2.42 0.00 40 A 8.04 3.97 1.40 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 41 A 7.80 3.94 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 42 M 9.19 3.80 0.00 2.03 2.37 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 43 N 8.34 4.16 0.00 2.98 2.93 0.00 0.00 6.93 8.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.23 4.24 0.00 3.47 3.39 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 0.00 0.00 0.00 0.00 45 V 8.01 3.51 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 0.75 0.00 0.00 1.19 0.00 0.00 46 M 8.75 3.41 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.81 0.00 47 S 8.08 4.23 0.00 3.84 3.61 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 0.00 0.00 0.00 0.00 48 H 8.01 3.62 0.00 2.37 3.10 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 M 7.50 3.50 0.00 1.33 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 50 D 7.22 4.35 0.00 2.56 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.56 4.96 0.00 2.81 2.76 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 0.00 0.00 0.00 0.00 52 P 0.00 4.64 0.00 2.21 2.20 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 53 D 7.86 5.22 0.00 2.85 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 7.93 4.62 0.00 3.07 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 55 A 8.07 3.55 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.11 4.22 0.00 2.89 2.84 0.00 0.00 6.96 8.07 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 57 P 0.00 4.71 0.00 2.18 2.08 0.00 3.79 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 58 L 8.16 4.33 0.00 1.58 1.62 0.68 0.57 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 59 I 8.19 3.67 1.96 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.49 0.97 0.00 0.00 60 L 8.19 4.69 0.00 1.65 1.59 0.94 1.06 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 61 P 0.00 4.48 0.00 2.18 2.09 0.00 3.89 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 1.98 1.96 0.00 62 G 7.77 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.08 4.03 0.00 3.88 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 64 S 8.93 4.58 0.00 3.93 3.93 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 0.00 0.00 0.00 65 G 7.64 4.04 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 0.00 66 P 0.00 4.51 0.00 2.20 2.07 0.00 3.71 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 1.99 1.97 0.00 67 G 8.23 4.17 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 0.00 68 S 7.65 4.67 0.00 3.78 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.29 4.24 0.00 3.81 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 70 G 8.12 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.38 0.00 2.39 2.08 0.00 3.79 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 1.99 1.95 0.00 72 S 8.83 4.14 0.00 3.85 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 73 S 7.78 4.75 0.00 3.89 3.76 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 0.00 0.00 0.00 0.00 74 G 8.39 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 0.00 0.00 0.00