NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2767 8.3044 120.3477 55.3284 33.2612 175.0157 2 L 4.3065 8.1728 127.2354 52.7955 41.7865 174.0636 3 I 4.0883 8.7143 127.3300 60.8078 38.9073 175.1533 4 L 4.8140 8.0382 122.2075 53.8088 45.6805 176.6358 5 T 4.4587 8.0406 116.2027 61.8729 69.0744 174.2625 6 R 4.3550 8.0509 124.2660 55.0107 31.9862 176.4458 7 K 4.4280 8.9371 119.4957 54.7470 33.5747 176.8848 8 V 3.7969 8.0508 120.9492 64.5997 31.7051 176.3747 9 G 3.9631 9.1529 116.5643 45.1152 0.0000 173.1167 10 E 4.4662 7.7814 118.9727 56.0112 32.3956 174.6927 11 S 5.0354 8.1886 113.5648 57.9397 66.5636 172.3897 12 I 4.9496 8.4725 120.7743 59.5460 41.5315 174.2569 13 N 5.4936 8.5744 120.7004 52.3076 42.3454 173.4196 14 I 4.5351 8.6996 124.1826 60.5253 41.8324 175.8197 15 G 3.7072 9.5790 111.7590 45.6770 0.0000 174.1507 16 D 4.4672 8.2621 115.5285 54.8050 39.9544 173.1750 17 D 4.9581 7.8976 113.4799 54.1915 43.2292 175.4432 18 I 4.9180 8.1745 119.8561 59.7199 41.3423 174.6121 19 T 4.9460 9.0455 121.7230 62.0358 72.8363 173.1448 20 I 4.8846 8.8293 127.1604 59.7473 38.7529 174.9894 21 T 4.5622 8.5070 123.0255 62.3529 70.4887 173.8563 22 I 4.5006 8.1812 124.9655 59.4469 38.4632 175.9061 23 L 4.0568 8.8399 130.7901 55.3770 42.4217 177.8592 24 G 3.9657 6.9555 105.2979 45.0999 0.0000 170.9614 25 V 4.7851 7.6864 117.8266 60.2430 34.5713 176.1328 26 S 4.6389 8.6377 116.5034 57.8047 65.0775 175.5621 27 G 3.7862 7.7468 117.4565 46.7366 0.0000 172.9948 28 Q 4.1448 9.0535 125.1650 56.7052 28.9205 174.3508 29 Q 4.7733 7.9608 115.5976 54.7523 32.2280 174.0659 30 V 4.7290 7.9302 117.3748 61.3773 35.2388 174.1136 31 R 4.5812 9.1056 126.9993 54.8308 31.9099 174.6115 32 I 4.8927 8.5173 126.7089 59.4533 40.8166 175.8589 33 G 3.9664 8.8424 111.4431 44.5137 0.0000 172.1299 34 I 4.3440 8.3602 128.3808 60.3903 37.9687 175.9413 35 N 4.8919 9.3984 126.8713 51.6319 39.5162 174.0160 36 A 5.1028 8.2142 124.3868 49.0382 22.8600 173.8296 37 P 4.3708 0.0000 0.0000 62.3839 32.0792 177.3036 38 K 4.1781 8.4287 119.5839 57.7410 32.1535 177.2841 39 D 4.4756 7.9775 116.8827 56.8379 41.4195 175.5787 40 V 4.4920 7.5606 110.3617 59.6525 35.3226 174.4257 41 A 4.7630 8.2261 123.7477 50.8918 20.9796 177.3091 42 V 4.3906 7.8667 118.6423 61.0628 33.6878 173.6710 43 H 4.9298 8.4502 121.0190 53.5762 33.0396 173.4091 44 R 4.2480 8.3299 117.8758 55.6810 30.2629 177.3461 45 E 4.0432 8.6756 120.1040 59.0449 29.7830 177.4618 46 E 4.3627 8.1304 114.0903 57.0393 30.2891 176.6838 47 I 4.5526 7.4780 118.5487 60.7665 39.7088 176.6589 48 Y 4.1956 8.3659 121.6822 60.7930 38.0163 177.7245 49 Q 3.7174 7.9961 117.5530 57.7530 28.8850 177.9650 50 R 3.9705 7.6391 119.9074 59.0663 29.8206 178.4319 51 I 3.7296 7.0079 118.8930 64.1076 37.1818 177.6255 52 Q 4.1296 7.3181 114.9745 56.8306 28.5367 176.1354 53 A 4.2406 7.5096 128.6831 52.2258 19.3603 175.8076 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 M 8.30 4.28 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 L 8.17 4.31 0.00 1.69 1.56 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.71 4.09 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 0.52 0.91 0.00 0.00 4 L 8.04 4.81 0.00 1.56 1.51 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.04 4.46 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 6 R 8.05 4.36 0.00 1.79 1.85 0.00 3.39 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 7 K 8.94 4.43 0.00 1.95 1.71 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.40 7.81 8 V 8.05 3.80 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 0.73 0.00 0.00 0.93 0.00 0.00 9 G 9.15 3.96 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 0.00 0.00 0.00 10 E 7.78 4.47 0.00 2.11 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 2.31 2.25 0.00 11 S 8.19 5.04 0.00 3.84 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.47 4.95 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 1.11 0.83 0.90 0.00 0.00 13 N 8.57 5.49 0.00 2.66 2.61 0.00 0.00 6.77 7.91 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 14 I 8.70 4.54 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 1.15 0.80 0.90 0.00 0.00 15 G 9.58 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 0.00 0.00 0.00 16 D 8.26 4.47 0.00 2.79 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 17 D 7.90 4.96 0.00 2.54 2.61 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 18 I 8.17 4.92 2.02 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 1.22 0.85 0.95 0.00 0.00 19 T 9.05 4.95 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 1.25 0.00 0.00 20 I 8.83 4.88 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 1.22 1.56 0.90 0.00 0.00 21 T 8.51 4.56 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 1.26 0.00 0.00 22 I 8.18 4.50 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 1.22 1.56 0.99 0.00 0.00 23 L 8.84 4.06 0.00 1.69 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 24 G 6.96 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 25 V 7.69 4.79 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 0.76 0.00 0.00 0.98 0.00 0.00 26 S 8.64 4.64 0.00 3.82 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.75 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 0.00 0.00 0.00 28 Q 9.05 4.14 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 29 Q 7.96 4.77 0.00 2.23 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.52 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 30 V 7.93 4.73 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 0.76 0.00 0.00 0.93 0.00 0.00 31 R 9.11 4.58 0.00 1.87 1.75 0.00 3.09 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 32 I 8.52 4.89 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 1.27 0.77 0.96 0.00 0.00 33 G 8.84 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 34 I 8.36 4.34 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 1.33 0.45 0.90 0.00 0.00 35 N 9.40 4.89 0.00 2.69 2.76 0.00 0.00 6.46 7.65 0.00 0.00 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 A 8.21 5.10 1.16 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 0.00 0.00 37 P 0.00 4.37 0.00 2.23 2.19 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 38 K 8.43 4.18 0.00 1.74 1.86 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.43 7.81 39 D 7.98 4.48 0.00 2.66 2.68 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 40 V 7.56 4.49 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 0.70 0.00 0.00 0.99 0.00 0.00 41 A 8.23 4.76 1.29 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 0.00 0.00 42 V 7.87 4.39 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 0.77 0.00 0.00 0.90 0.00 0.00 43 H 8.45 4.93 0.00 3.16 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.33 4.25 0.00 2.02 2.08 0.00 2.99 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 45 E 8.68 4.04 0.00 1.95 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 2.32 2.41 0.00 46 E 8.13 4.36 0.00 2.14 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 0.00 2.29 2.35 0.00 47 I 7.48 4.55 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.51 0.98 0.00 0.00 48 Y 8.37 4.20 0.00 3.12 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 49 Q 8.00 3.72 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 50 R 7.64 3.97 0.00 1.84 2.06 0.00 3.10 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 51 I 7.01 3.73 1.88 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 1.48 0.79 0.84 0.00 0.00 52 Q 7.32 4.13 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.61 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 53 A 7.51 4.24 1.14 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 0.00 0.00