NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3189 8.1927 115.2675 57.8571 63.7094 174.0673 2 I 3.4697 8.2903 127.9653 62.3596 37.8983 176.3606 3 S 4.1199 7.8328 115.1097 61.5547 63.2941 176.0418 4 S 4.1388 7.9475 117.6249 61.0621 62.8013 176.5315 5 R 3.9592 7.9769 121.9663 58.7471 29.6489 179.4390 6 V 3.6425 8.1127 119.3055 64.8770 31.5635 178.1016 7 K 4.3840 8.3914 122.7612 58.4401 31.8111 178.6996 8 S 4.2558 8.3306 114.2434 61.0687 63.2189 176.3912 9 K 4.0495 8.2789 123.6962 59.0815 31.8918 179.1182 10 R 3.9667 8.4214 116.8989 59.4034 29.6236 178.7060 11 I 3.6998 7.7838 121.0244 64.0592 36.9192 177.9511 12 Q 4.2245 7.7586 116.5181 57.9187 28.9004 177.2406 13 L 4.3430 7.6415 119.3619 54.0950 42.2649 176.3485 14 G 3.8128 7.7802 106.4464 46.7905 0.0000 173.7333 15 L 4.6243 8.0618 118.6881 52.8806 44.1557 176.4259 16 N 4.9411 8.2794 118.0897 51.2285 40.7294 176.0862 17 Q 3.9594 8.4659 119.2577 59.3334 28.6817 179.2596 18 A 3.9977 7.9652 121.0312 54.9755 18.4081 179.4281 19 E 3.9027 9.6045 118.5883 59.2608 29.4371 179.2237 20 L 3.8600 8.3062 120.5478 58.2764 42.0552 178.6801 21 A 3.7686 8.0380 120.6906 55.2515 18.2001 179.5742 22 Q 4.1020 7.7039 117.8477 59.4202 29.0260 178.4330 23 K 3.9694 7.5372 117.7040 59.4203 32.1941 179.1294 24 V 3.8200 7.9767 117.0905 63.2729 31.5311 176.1955 25 G 3.8149 7.6938 105.5453 47.1402 0.0000 173.1352 26 T 4.5617 8.4648 117.2339 60.4773 69.8962 172.6342 27 T 4.5582 7.8373 108.6123 59.8784 71.4688 175.0248 28 Q 3.9453 8.4461 122.5460 59.4873 29.0803 178.3660 29 Q 4.0219 7.6695 119.2836 58.5843 28.6754 178.6737 30 S 4.3609 7.8726 116.2116 61.0960 62.9445 176.6011 31 I 3.7993 7.5394 122.1154 64.2991 36.9348 177.7106 32 E 3.9649 8.4390 120.3669 59.5702 29.4407 178.6295 33 Q 4.0235 7.9964 117.8267 59.1345 28.8838 178.8630 34 L 3.9420 8.1183 120.9313 58.3839 42.3417 178.8545 35 E 4.1224 9.1478 118.9501 58.6451 29.0764 178.1768 36 N 5.0837 8.1738 115.5709 52.5443 39.4982 175.5668 37 G 3.9022 7.7757 106.4529 46.2228 0.0000 175.2958 38 K 4.3237 8.1373 117.7513 56.9683 32.5680 177.0948 39 T 4.6585 7.4629 115.3441 61.7711 72.3987 173.3234 40 K 4.2068 8.7584 124.4645 57.9666 33.8824 176.6822 41 R 4.3223 7.4398 118.8400 52.9936 31.9435 172.8532 42 P 4.2614 0.0000 0.0000 61.8183 32.1932 178.2631 43 R 3.9069 8.2090 119.1681 58.9577 30.3333 177.4789 44 F 4.9241 7.4297 111.9938 56.7616 38.4444 176.8040 45 L 3.8363 7.6154 125.4431 58.5977 41.6020 177.5097 46 P 4.2952 0.0000 0.0000 65.6263 31.3424 178.5138 47 E 4.0633 8.2136 117.0678 59.0381 28.9276 179.0007 48 L 4.0196 8.4619 120.5545 58.2903 42.2040 178.9921 49 A 4.1324 8.0677 120.6069 55.1691 18.0373 179.5665 50 S 4.0604 7.9242 110.9082 61.0145 62.5638 175.2614 51 A 4.4650 8.0304 121.0391 52.2721 18.6148 177.3406 52 L 4.6134 7.1854 115.2531 53.3882 43.0035 176.5862 53 G 3.9764 8.2310 105.9070 46.8415 0.0000 173.2545 54 V 4.5201 8.0093 112.3560 59.1854 35.7140 174.9885 55 S 4.8696 8.3674 113.7068 56.4975 65.2135 175.0206 56 V 3.5702 8.6312 122.3377 66.5868 30.9604 177.8687 57 D 4.3403 7.8755 116.3501 57.1456 41.1162 178.1076 58 W 4.2678 8.5094 128.9068 60.0029 30.4170 178.2174 59 L 3.7042 7.8484 118.1260 57.6403 41.3401 178.8851 60 L 4.1527 7.6933 117.4438 57.1204 41.6842 177.8718 61 N 4.7428 7.7388 111.7960 51.6015 40.5227 174.9126 62 G 3.7320 7.6211 106.0565 46.3146 0.0000 173.8152 63 T 4.3123 7.4396 111.0582 61.8040 68.9865 174.2397 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 S 8.19 4.32 0.00 3.82 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 2 I 8.29 3.47 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.85 0.00 0.00 3 S 7.83 4.12 0.00 4.28 4.28 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 4 S 7.95 4.14 0.00 4.06 4.14 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 5 R 7.98 3.96 0.00 1.86 1.68 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.36 0.00 6 V 8.11 3.64 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 1.01 0.00 0.00 1.05 0.00 0.00 7 K 8.39 4.38 0.00 1.99 1.89 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.49 7.81 8 S 8.33 4.26 0.00 4.17 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 0.00 9 K 8.28 4.05 0.00 2.31 1.95 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.50 7.81 10 R 8.42 3.97 0.00 2.09 2.33 0.00 2.90 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 11 I 7.78 3.70 1.90 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 1.89 1.18 0.93 0.00 0.00 12 Q 7.76 4.22 0.00 2.16 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.62 2.41 0.00 13 L 7.64 4.34 0.00 1.80 1.75 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.78 3.81 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 0.00 0.00 0.00 15 L 8.06 4.62 0.00 1.62 1.60 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.28 4.94 0.00 3.00 2.93 0.00 0.00 7.38 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 17 Q 8.47 3.96 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 18 A 7.97 4.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.60 3.90 0.00 2.12 2.00 0.00 0.00 0.00 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 2.54 0.00 20 L 8.31 3.86 0.00 1.73 1.87 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.04 3.77 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.70 4.10 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 23 K 7.54 3.97 0.00 1.74 1.85 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.58 7.81 24 V 7.98 3.82 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 0.55 0.00 0.00 0.97 0.00 0.00 25 G 7.69 3.81 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 0.00 0.00 0.00 26 T 8.46 4.56 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 0.62 0.00 0.00 27 T 7.84 4.56 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 1.18 0.00 0.00 28 Q 8.45 3.95 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 29 Q 7.67 4.02 0.00 2.37 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 30 S 7.87 4.36 0.00 4.03 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 0.00 31 I 7.54 3.80 2.01 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.30 0.94 0.00 0.00 32 E 8.44 3.96 0.00 1.99 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 2.33 2.52 0.00 33 Q 8.00 4.02 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 34 L 8.12 3.94 0.00 2.01 1.96 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.15 4.12 0.00 2.10 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 0.00 2.37 2.55 0.00 36 N 8.17 5.08 0.00 2.74 2.81 0.00 0.00 6.99 7.25 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 37 G 7.78 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 38 K 8.14 4.32 0.00 1.76 1.86 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.56 7.81 39 T 7.46 4.66 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 1.12 0.00 0.00 40 K 8.76 4.21 0.00 1.80 1.88 0.00 1.49 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.39 7.81 41 R 7.44 4.32 0.00 1.69 1.79 0.00 3.16 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 42 P 0.00 4.26 0.00 0.53 1.34 0.00 3.48 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 1.52 1.58 0.00 43 R 8.21 3.91 0.00 1.84 2.07 0.00 3.22 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 44 F 7.43 4.92 0.00 3.26 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 45 L 7.62 3.84 0.00 1.88 1.68 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.30 0.00 2.23 2.10 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 47 E 8.21 4.06 0.00 2.17 2.05 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 2.44 2.46 0.00 48 L 8.46 4.02 0.00 2.24 2.05 1.13 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.07 4.13 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 50 S 7.92 4.06 0.00 4.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 4.47 1.35 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 0.00 0.00 0.00 52 L 7.19 4.61 0.00 1.71 1.71 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.23 3.98 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 0.00 0.00 0.00 54 V 8.01 4.52 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 0.64 0.00 0.00 1.17 0.00 0.00 55 S 8.37 4.87 0.00 4.02 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 56 V 8.63 3.57 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 1.03 0.00 0.00 0.96 0.00 0.00 57 D 7.88 4.34 0.00 2.92 2.72 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 58 W 8.51 4.27 0.00 3.47 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 3.70 0.00 1.88 1.68 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.69 4.15 0.00 1.59 1.67 0.89 0.73 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 61 N 7.74 4.74 0.00 2.61 2.71 0.00 0.00 7.31 7.53 0.00 0.00 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 G 7.62 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 63 T 7.44 4.31 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00