NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4140 8.2493 123.5818 51.9257 22.1648 178.4926 2 K 3.9124 8.5976 111.1096 56.8919 31.1460 175.6515 3 T 4.4873 9.4692 105.1968 60.0943 74.2050 172.6047 4 I 3.5395 7.9289 130.3882 60.3098 37.6343 171.9731 5 K 5.0604 8.8867 124.1022 54.8279 34.8581 176.0862 6 I 4.6970 9.1086 126.4310 60.4428 40.2871 174.4332 7 T 4.8813 7.8701 117.6798 62.3818 72.5159 175.3195 8 Q 3.8828 8.8482 124.0550 57.0290 30.0671 177.4557 9 T 3.3954 7.9339 112.9091 63.2612 67.2792 172.2800 10 R 4.5962 8.1698 121.5688 54.3673 33.2082 176.3057 11 S 4.0869 8.5255 114.8149 59.0737 63.2979 174.4259 12 A 4.6865 8.1834 126.8905 51.1637 17.6681 175.8322 13 I 4.0438 6.7003 123.9135 62.6694 38.4257 177.3623 14 G 3.9681 7.8237 112.8528 46.2694 0.0000 173.2367 15 R 4.6617 7.7486 117.8585 53.7698 32.3709 177.2306 16 L 4.0522 8.4153 121.2764 54.6713 43.5803 176.9473 17 P 4.2696 0.0000 0.0000 65.8765 30.8915 179.2549 18 K 3.9817 8.1288 116.4156 59.2363 31.7599 178.8383 19 H 4.4453 7.9569 116.2450 58.6602 28.9440 177.3640 20 K 3.6727 8.0202 118.5293 59.5273 32.1100 178.9612 21 A 4.1391 8.4110 121.4948 55.3706 18.2734 179.6196 22 T 3.7843 7.5629 107.2688 65.0369 68.5739 175.8643 23 L 3.8496 8.6496 123.9082 57.8144 41.7022 178.8572 24 L 4.0430 7.9552 120.0639 58.2442 41.9715 179.0934 25 G 3.3769 7.5221 104.2221 47.4840 0.0000 174.4307 26 L 4.3796 7.7079 119.8459 54.2266 41.9594 178.4874 27 G 3.8927 8.9399 107.1818 45.1527 0.0000 173.2116 28 L 3.7304 7.1294 118.1308 55.3116 40.3594 177.0041 29 R 4.1230 7.7990 123.5855 58.0758 30.1896 179.2822 30 R 4.3024 7.5711 116.2944 55.6433 31.4937 177.4504 31 I 3.8341 8.1998 111.2612 62.6041 37.8765 176.6026 32 G 4.1490 7.3960 110.0209 45.4692 0.0000 173.5622 33 H 3.9154 8.4715 119.3789 58.4215 29.9540 171.2153 34 T 4.0881 8.3105 121.9516 62.5245 68.7565 171.7374 35 V 4.5691 7.7378 123.7171 60.0473 35.5511 173.5373 36 E 4.7757 8.7621 123.0646 54.6099 30.2398 174.5573 37 R 4.6427 8.6684 130.5970 56.8610 32.8322 173.3640 38 E 4.9104 8.6458 117.4042 55.5362 31.1508 175.8836 39 D 4.7898 8.4891 124.3093 54.2052 43.0373 176.8979 40 T 3.9332 7.9247 114.7804 63.3978 69.8017 172.9785 41 P 4.2588 0.0000 0.0000 65.6381 31.4978 178.5636 42 A 4.0859 7.8824 119.3378 55.2052 18.0348 179.2718 43 I 3.1031 7.7529 116.2731 63.7862 37.7985 176.8815 44 R 4.4166 7.8509 117.2188 56.8330 29.7904 177.0041 45 G 3.9540 8.7775 105.9286 47.0948 0.0000 176.0054 46 M 3.9744 7.8695 120.4252 58.4189 31.8378 178.1156 47 I 3.6941 7.4561 118.2773 64.2302 37.3281 177.2142 48 N 4.1206 7.8221 117.8213 56.7457 38.9448 175.4435 49 A 4.0342 7.0562 120.8358 55.7341 19.0553 178.9113 50 V 3.9639 7.8867 105.4612 60.9042 32.1505 179.3628 51 S 4.0727 8.5098 117.3557 61.6658 62.5549 176.3202 52 F 4.5334 8.6064 111.7383 57.8598 37.3123 174.7217 53 M 4.7196 7.9345 119.8143 54.7964 33.6892 175.3702 54 V 5.1573 7.9549 110.4382 60.4586 36.2457 174.9491 55 K 4.4619 8.4809 124.2016 54.1764 32.4432 176.0096 56 V 4.0541 8.0761 123.8327 63.0041 32.8871 174.6343 57 E 4.7651 8.9064 123.4751 54.8211 34.2466 175.6439 58 E 4.2513 8.7381 121.9120 56.5485 30.1188 175.8891 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 A 8.25 4.41 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.60 3.91 0.00 1.95 1.67 0.00 1.55 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.43 7.81 3 T 9.47 4.49 4.37 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 1.21 0.00 0.00 4 I 7.93 3.54 1.98 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 1.49 0.77 0.93 0.00 0.00 5 K 8.89 5.06 0.00 1.62 1.68 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.37 7.81 6 I 9.11 4.70 1.83 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 1.36 0.89 0.88 0.00 0.00 7 T 7.87 4.88 4.22 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 1.23 0.00 0.00 8 Q 8.85 3.88 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.30 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 9 T 7.93 3.40 4.19 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 0.00 0.00 1.19 0.00 0.00 10 R 8.17 4.60 0.00 1.73 1.83 0.00 3.31 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 11 S 8.53 4.09 0.00 3.82 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 12 A 8.18 4.69 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 13 I 6.70 4.04 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.62 0.92 0.00 0.00 14 G 7.82 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 15 R 7.75 4.66 0.00 1.85 1.99 0.00 3.37 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 16 L 8.42 4.05 0.00 1.52 1.57 0.90 0.94 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 P 0.00 4.27 0.00 2.16 2.10 0.00 3.60 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 2.18 0.00 18 K 8.13 3.98 0.00 1.76 1.91 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.49 7.81 19 H 7.96 4.45 0.00 3.52 3.37 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.02 3.67 0.00 1.85 1.91 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.51 1.87 7.81 21 A 8.41 4.14 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 T 7.56 3.78 4.23 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 1.33 0.00 0.00 23 L 8.65 3.85 0.00 1.87 1.89 0.96 0.40 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 24 L 7.96 4.04 0.00 1.81 1.87 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.52 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 0.00 0.00 0.00 26 L 7.71 4.38 0.00 1.71 1.66 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.94 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 0.00 0.00 0.00 28 L 7.13 3.73 0.00 1.68 1.76 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.80 4.12 0.00 1.93 1.88 0.00 3.25 0.00 0.00 3.25 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 30 R 7.57 4.30 0.00 1.91 1.87 0.00 3.14 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 31 I 8.20 3.83 1.86 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 1.34 0.52 0.93 0.00 0.00 32 G 7.40 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 0.00 0.00 0.00 33 H 8.47 3.92 0.00 3.34 3.29 0.00 5.87 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.31 4.09 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 1.32 0.00 0.00 35 V 7.74 4.57 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 0.78 0.00 0.00 0.91 0.00 0.00 36 E 8.76 4.78 0.00 1.98 1.89 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 2.20 2.27 0.00 37 R 8.67 4.64 0.00 1.80 1.60 0.00 3.30 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 38 E 8.65 4.91 0.00 1.94 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 39 D 8.49 4.79 0.00 2.56 2.56 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 40 T 7.92 3.93 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 41 P 0.00 4.26 0.00 2.01 2.15 0.00 3.68 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 2.04 2.18 0.00 42 A 7.88 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.75 3.10 1.86 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 1.67 1.19 0.95 0.00 0.00 44 R 7.85 4.42 0.00 1.84 2.06 0.00 3.33 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 45 G 8.78 3.95 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 0.00 0.00 0.00 46 M 7.87 3.97 0.00 2.06 2.10 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 2.89 2.62 0.00 47 I 7.46 3.69 1.86 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 1.73 0.72 0.89 0.00 0.00 48 N 7.82 4.12 0.00 2.69 3.01 0.00 0.00 6.91 7.96 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 49 A 7.06 4.03 1.28 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 50 V 7.89 3.96 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.90 0.00 0.00 51 S 8.51 4.07 0.00 4.05 4.30 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 52 F 8.61 4.53 0.00 3.22 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.93 4.72 0.00 1.47 1.31 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.38 0.00 54 V 7.95 5.16 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 0.53 0.00 0.00 0.99 0.00 0.00 55 K 8.48 4.46 0.00 1.58 1.72 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.66 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.38 7.81 56 V 8.08 4.05 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 0.82 0.00 0.00 0.92 0.00 0.00 57 E 8.91 4.77 0.00 2.06 1.75 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 2.22 2.42 0.00 58 E 8.74 4.25 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00