NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3367 8.1233 123.5821 52.2448 21.2816 178.9469 3 N 4.1180 8.2490 113.4925 55.8254 38.5524 175.4832 4 L 4.0090 8.6564 122.4613 58.0109 42.6269 178.2977 5 N 4.2858 8.0637 116.1303 56.2328 38.6183 176.6824 6 Q 3.9432 7.7803 120.9143 59.4223 29.0520 178.7165 7 I 3.6629 7.5987 120.0952 64.4363 37.1723 177.9263 8 Q 3.9572 8.5849 120.6307 59.2786 28.7609 178.7728 9 K 3.9068 8.6265 119.4065 59.8073 32.1076 179.2843 10 E 4.0180 8.2138 118.6517 59.1708 29.2968 179.6966 11 V 3.5667 7.9885 118.5582 66.0771 31.6411 178.1935 12 S 4.1210 8.0582 114.9720 61.6294 62.6740 176.4408 13 E 3.9324 8.2080 121.9209 59.1520 29.2151 178.6619 14 I 3.6777 7.9287 120.1085 64.5498 37.0263 178.1158 15 L 3.9798 7.6759 119.6809 58.1141 42.1673 178.7828 16 S 4.2655 8.1748 114.3025 61.6018 62.7626 176.2239 17 D 4.3772 8.1219 122.4960 57.1666 40.3850 178.7609 18 Q 4.0958 7.8458 118.5265 58.9515 28.2176 178.9540 19 K 3.4446 7.9820 119.2008 59.0347 31.7481 178.8163 20 S 4.4445 7.7428 112.2305 59.9725 63.4062 176.1764 21 M 4.0874 7.7192 122.1448 58.5238 32.1956 177.8598 22 K 3.9235 9.0213 119.6575 59.5485 32.0772 179.1343 23 A 4.0439 7.7455 119.8477 55.0270 18.1998 179.5699 24 D 4.2753 7.7793 116.1451 57.6595 41.0691 178.8722 25 I 3.6905 7.8261 120.3015 64.2559 37.0627 178.3589 26 K 3.8951 8.1993 120.1372 59.5542 31.9284 178.7340 27 A 4.1112 7.7136 121.0546 55.2144 18.2457 179.7375 28 I 3.7159 7.9694 118.4851 64.4689 37.2608 178.6761 29 L 4.0500 8.0271 119.9546 57.7229 41.2760 179.2708 30 E 4.0752 8.6698 117.7264 58.5365 29.3845 178.3659 31 L 4.2674 7.3274 119.7488 57.2893 42.4982 178.2054 32 L 4.3077 8.0253 118.5166 57.0134 41.5955 177.9298 33 G 4.0597 7.7096 105.8534 45.3575 0.0000 174.0771 34 S 4.6573 8.0334 111.7920 57.3503 64.0207 173.5280 35 Q 4.6966 7.6605 118.5098 54.2312 30.7942 175.0988 36 N 4.5748 8.3643 116.4439 52.3209 39.4460 174.2001 37 P 4.4607 0.0000 0.0000 62.5675 33.4724 178.0469 38 I 3.7201 8.1547 120.9454 64.5389 37.1878 178.7567 39 K 4.0593 7.9864 120.0376 59.3828 31.9118 178.3361 40 E 3.9571 8.0874 119.2903 59.1822 29.7401 178.8121 41 S 4.1307 7.8825 115.0811 61.6243 62.8641 176.6959 42 L 4.0199 8.4307 122.0548 57.6464 41.3526 179.2707 43 E 3.9501 8.1466 118.5693 59.9629 29.3446 179.6627 44 T 3.9190 7.6509 115.6654 66.5431 68.4144 176.8789 45 V 3.6775 7.7605 119.3524 65.3557 31.5522 177.8999 46 A 3.9345 8.2319 120.5576 55.3207 18.3652 179.3246 47 A 3.9014 8.5172 119.4681 55.2856 18.2898 179.8871 48 K 3.8914 7.8177 117.9653 59.6242 32.3153 178.8605 49 I 3.6791 8.0781 120.4764 64.8263 37.0190 178.7418 50 V 3.6372 8.0918 113.0720 64.3276 31.4112 178.3127 51 N 4.3961 8.1236 116.6089 56.8815 38.9488 176.5662 52 D 4.3755 8.1562 120.2431 57.5044 40.9341 178.9901 53 L 4.0606 8.1040 119.2539 57.9372 41.0508 179.4429 54 T 3.9566 8.7422 116.3984 65.8842 68.2455 176.6721 55 K 3.9374 7.9191 120.7245 59.1397 32.2414 178.8333 56 L 3.9710 7.4927 118.5724 58.3326 42.3418 178.7936 57 I 3.8609 7.9442 119.7408 64.2663 36.7988 177.8298 58 N 4.5309 7.4636 116.3654 55.2174 38.5279 176.4330 59 D 4.3433 7.8872 119.4740 55.4158 42.6592 175.7694 60 C 3.8866 7.8658 114.6225 60.1418 25.4632 172.5096 61 P 4.2878 0.0000 0.0000 66.2509 31.0622 177.4460 62 C 4.1325 7.9673 114.2688 61.0869 28.2012 175.2256 63 N 4.3878 8.1200 119.2142 56.1914 38.0782 176.3463 64 K 3.7701 7.6284 120.6172 60.0636 32.1494 178.1304 65 E 4.6805 7.9764 119.7713 58.9053 29.6596 179.1576 66 I 3.7375 7.2220 119.3112 64.3642 37.2108 178.4200 67 L 4.2110 8.2135 119.6154 57.1649 41.4384 179.4364 68 E 3.8989 8.6241 119.2835 59.4855 29.2431 179.1914 69 A 4.0398 7.7380 119.2818 55.0595 18.5399 179.4036 70 L 4.0900 8.2669 116.9163 55.8144 41.7654 177.5456 71 G 4.0691 7.8218 112.3441 45.7283 0.0000 173.1368 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 2 A 8.12 4.34 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 3 N 8.25 4.12 0.00 2.90 2.88 0.00 0.00 6.80 5.85 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 4 L 8.66 4.01 0.00 1.75 1.66 0.92 0.64 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 5 N 8.06 4.29 0.00 2.85 2.85 0.00 0.00 6.76 7.74 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 6 Q 7.78 3.94 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 7 I 7.60 3.66 2.00 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 1.41 0.58 0.91 0.00 0.00 8 Q 8.58 3.96 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 9 K 8.63 3.91 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.60 7.81 10 E 8.21 4.02 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 2.33 2.55 0.00 11 V 7.99 3.57 2.18 0.00 0.00 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 0.94 0.00 0.00 12 S 8.06 4.12 0.00 4.18 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 13 E 8.21 3.93 0.00 2.05 2.10 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 2.30 2.35 0.00 14 I 7.93 3.68 2.00 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 1.41 0.64 0.91 0.00 0.00 15 L 7.68 3.98 0.00 1.64 1.83 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.17 4.27 0.00 4.10 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 0.00 17 D 8.12 4.38 0.00 3.10 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 18 Q 7.85 4.10 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 19 K 7.98 3.44 0.00 1.94 1.87 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 20 S 7.74 4.44 0.00 4.09 4.11 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 21 M 7.72 4.09 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 22 K 9.02 3.92 0.00 1.72 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 23 A 7.75 4.04 1.41 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 0.00 0.00 24 D 7.78 4.28 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 25 I 7.83 3.69 1.87 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 1.41 0.88 0.91 0.00 0.00 26 K 8.20 3.90 0.00 1.90 1.97 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.46 7.81 27 A 7.71 4.11 1.39 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 0.00 0.00 28 I 7.97 3.72 1.87 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 1.52 0.95 0.91 0.00 0.00 29 L 8.03 4.05 0.00 1.82 1.71 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.67 4.08 0.00 1.88 2.01 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 2.34 2.47 0.00 31 L 7.33 4.27 0.00 1.78 1.80 0.92 1.20 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 32 L 8.03 4.31 0.00 1.67 1.71 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.71 4.06 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 0.00 34 S 8.03 4.66 0.00 3.94 4.09 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 0.00 0.00 0.00 0.00 35 Q 7.66 4.70 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.05 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 36 N 8.36 4.57 0.00 2.73 2.79 0.00 0.00 6.98 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 37 P 0.00 4.46 0.00 2.15 1.97 0.00 3.70 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 2.11 2.17 0.00 38 I 8.15 3.72 1.87 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 1.52 0.52 0.91 0.00 0.00 39 K 7.99 4.06 0.00 1.82 1.80 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.50 7.81 40 E 8.09 3.96 0.00 2.07 1.92 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 2.37 2.39 0.00 41 S 7.88 4.13 0.00 4.03 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 42 L 8.43 4.02 0.00 1.75 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.15 3.95 0.00 2.07 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 2.33 2.58 0.00 44 T 7.65 3.92 4.36 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 0.00 0.00 0.00 1.21 0.00 0.00 45 V 7.76 3.68 2.08 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 1.07 0.00 0.00 0.97 0.00 0.00 46 A 8.23 3.93 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 47 A 8.52 3.90 1.38 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 0.00 0.00 48 K 7.82 3.89 0.00 1.79 2.02 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.43 1.47 7.81 49 I 8.08 3.68 2.00 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 1.52 0.67 0.91 0.00 0.00 50 V 8.09 3.64 2.08 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 0.85 0.00 0.00 1.00 0.00 0.00 51 N 8.12 4.40 0.00 2.92 2.99 0.00 0.00 7.18 8.46 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 52 D 8.16 4.38 0.00 3.05 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 53 L 8.10 4.06 0.00 1.70 1.70 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.74 3.96 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 1.21 0.00 0.00 55 K 7.92 3.94 0.00 2.04 1.84 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.52 7.81 56 L 7.49 3.97 0.00 1.63 1.70 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.94 3.86 1.87 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 1.52 0.80 0.91 0.00 0.00 58 N 7.46 4.53 0.00 3.02 2.87 0.00 0.00 6.97 7.94 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 59 D 7.89 4.34 0.00 2.81 2.91 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 0.00 0.00 0.00 60 C 7.87 3.89 0.00 3.32 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 61 P 0.00 4.29 0.00 2.26 2.31 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 62 C 7.97 4.13 0.00 2.99 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 63 N 8.12 4.39 0.00 3.02 2.86 0.00 0.00 6.48 7.85 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 64 K 7.63 3.77 0.00 1.79 1.77 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 65 E 7.98 4.68 0.00 2.07 1.93 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 2.38 2.27 0.00 66 I 7.22 3.74 1.87 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 1.52 0.43 0.91 0.00 0.00 67 L 8.21 4.21 0.00 1.83 1.71 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.62 3.90 0.00 2.16 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 2.33 2.48 0.00 69 A 7.74 4.04 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 70 L 8.27 4.09 0.00 1.59 1.74 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.82 4.07 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 0.00 0.00 0.00