NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4214 8.1593 112.9343 60.6128 69.8636 173.1626 2 W 4.6247 8.1696 123.2672 54.3103 30.0092 174.3137 3 L 4.4649 6.1568 120.8134 52.1266 42.0485 174.6499 4 P 4.2825 0.0000 0.0000 64.7939 32.0598 177.0449 5 T 4.5694 7.3525 105.9982 60.6125 71.4675 172.9584 6 L 4.5448 8.2123 118.9821 54.3088 42.6563 176.7858 7 V 3.9292 7.1316 119.8859 62.1521 32.0242 175.0645 8 T 4.7872 8.1628 119.8689 59.8156 70.3500 173.5187 9 A 4.3126 8.5349 130.3315 55.0459 18.7782 178.6989 10 T 4.3202 7.5220 104.0789 58.2120 73.1615 172.8028 11 P 2.0000 0.0000 0.0000 65.3504 30.8417 178.6362 12 Q 3.8498 7.8133 117.2452 59.1577 28.7096 178.0821 13 E 4.2947 7.4943 119.4898 58.5996 29.7119 178.9662 14 G 4.0779 8.2488 106.3775 47.9093 0.0000 175.6056 15 F 4.2332 8.8579 123.2312 61.0480 39.3890 177.0663 16 D 4.4118 8.0554 117.8479 57.3613 40.6226 178.3025 17 L 4.0035 8.0537 120.5735 58.4025 41.8967 178.9666 18 A 3.9931 8.1743 120.4865 55.0603 17.9388 179.7092 19 V 3.5327 7.4620 116.5259 65.4041 31.4676 178.3537 20 K 3.9460 7.9839 119.6467 59.5171 31.6364 178.5766 21 L 3.9725 8.0353 119.3685 58.2889 41.4424 179.9557 22 S 4.2784 7.9027 114.6086 61.1444 62.6131 176.8250 23 R 4.0959 7.5321 120.9145 58.6994 30.1486 178.8689 24 I 3.4609 7.8872 112.8586 63.6760 37.2242 178.1033 25 A 4.0947 7.5741 121.6031 54.7313 18.0294 179.8646 26 V 3.4933 7.4025 116.4683 65.7893 31.5759 177.7607 27 K 3.7688 7.7595 118.0967 59.6438 32.0977 177.7823 28 K 3.9684 8.0943 117.6151 59.4905 32.0996 178.4105 29 T 4.1434 7.4143 107.2792 63.0639 69.2243 174.8350 30 Q 4.3308 7.9540 122.6717 53.8351 29.3163 172.2314 31 P 4.4263 0.0000 0.0000 63.3317 32.2693 177.8495 32 D 4.4641 7.9329 119.2590 53.9295 40.0466 175.3966 33 A 3.9801 8.5340 128.8092 55.1974 18.2098 178.8200 34 Q 3.9097 7.9974 117.7399 59.5205 29.1977 178.8918 35 V 3.6708 7.7236 112.9628 64.3230 31.5697 178.5819 36 R 4.0681 7.8443 117.9473 59.2875 29.7860 178.7677 37 D 4.3932 8.0760 118.4777 57.6394 40.9572 178.9916 38 T 3.8924 7.6091 116.3536 66.7352 68.4046 176.8674 39 L 4.2185 8.5836 121.2133 57.3269 41.5430 179.3939 40 R 4.1042 8.5324 119.1737 59.6789 29.8790 178.2963 41 A 4.5083 7.5070 119.9405 54.5383 18.6194 179.6371 42 V 3.6805 7.3867 115.8075 66.3245 31.7897 177.7245 43 Y 4.3976 8.5064 117.3413 58.9286 38.3258 177.2365 44 E 3.4013 7.8389 119.6641 58.0435 29.8953 178.2125 45 K 4.2955 7.3587 116.3592 56.3567 32.9409 175.8096 46 D 4.7468 7.9630 119.7822 52.7565 42.4259 175.9597 47 A 3.9802 8.6386 129.4667 55.8459 18.3976 178.7074 48 N 4.2983 8.3081 113.6214 56.3204 38.5917 177.4134 49 A 4.0410 8.4848 122.1586 55.2384 18.4888 179.7168 50 L 4.0206 8.0804 117.5414 57.8612 41.6486 179.7436 51 I 3.6934 7.8343 119.5800 64.5256 36.8989 178.3523 52 A 4.0369 7.8446 119.9986 54.9300 18.4111 179.6589 53 V 3.6324 8.3454 117.3019 66.3932 31.7664 178.2888 54 S 4.1620 8.5610 112.9272 61.2443 62.2270 176.0255 55 A 4.0453 7.9743 123.8096 54.9336 18.0211 179.7070 56 V 3.5632 7.6871 116.6984 66.0966 31.5115 178.6483 57 V 3.7354 8.0217 119.4072 63.6296 31.4106 178.0627 58 A 4.0886 7.8569 121.7748 55.4271 18.2471 179.6627 59 T 3.7926 7.7886 113.6211 67.1282 68.5487 176.4088 60 H 4.1945 7.8291 118.1198 59.1922 28.7844 177.5431 61 F 4.3455 8.6343 122.4513 61.2418 39.1556 176.7370 62 Q 4.0066 8.1552 119.2908 59.6436 28.9853 178.7655 63 T 3.7847 7.6133 115.9531 66.7408 68.5403 176.7235 64 I 3.6300 8.1907 120.7056 63.7100 37.9830 177.7215 65 A 2.9979 7.9861 122.0810 54.5431 18.1090 179.3297 66 A 2.9795 7.4228 118.7883 54.8086 18.1537 179.5863 67 A 3.7010 7.0142 117.5660 55.3808 18.7046 179.0357 68 N 4.1344 7.1920 112.2312 52.3137 38.0370 175.0068 69 D 4.0398 7.7575 118.3004 55.3021 40.2394 173.5447 70 Y 3.4083 7.5814 110.7801 57.1821 36.1861 170.2130 71 W 3.9141 7.5799 125.9306 57.3802 29.8351 174.0836 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 T 8.16 4.42 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 2 W 8.17 4.62 0.00 3.64 3.23 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 0.00 3 L 6.16 4.46 0.00 0.27 0.43 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.28 0.00 2.17 2.09 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 5 T 7.35 4.57 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 1.17 0.00 0.00 6 L 8.21 4.54 0.00 1.55 1.64 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.13 3.93 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 0.73 0.00 0.00 0.86 0.00 0.00 8 T 8.16 4.79 4.53 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 0.00 0.00 0.00 1.67 0.00 0.00 9 A 8.53 4.31 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.52 4.32 4.01 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 1.15 0.00 0.00 11 P 0.00 2.00 0.00 1.88 1.90 0.00 3.23 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.82 0.00 12 Q 7.81 3.85 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 13 E 7.49 4.29 0.00 2.21 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 0.00 2.32 2.29 0.00 14 G 8.25 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.86 4.23 0.00 2.88 2.95 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 16 D 8.06 4.41 0.00 2.99 2.77 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 17 L 8.05 4.00 0.00 1.99 2.01 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.17 3.99 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 19 V 7.46 3.53 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 0.98 0.00 0.00 0.86 0.00 0.00 20 K 7.98 3.95 0.00 1.92 2.03 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.19 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.51 7.81 21 L 8.04 3.97 0.00 1.61 1.38 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.90 4.28 0.00 3.93 3.91 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 23 R 7.53 4.10 0.00 1.96 1.90 0.00 3.14 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 24 I 7.89 3.46 1.19 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.46 0.71 0.00 0.00 25 A 7.57 4.09 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 26 V 7.40 3.49 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 1.02 0.00 0.00 0.88 0.00 0.00 27 K 7.76 3.77 0.00 1.67 1.82 0.00 1.77 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.42 7.81 28 K 8.09 3.97 0.00 1.69 1.82 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 1.31 7.81 29 T 7.41 4.14 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 1.26 0.00 0.00 30 Q 7.95 4.33 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 31 P 0.00 4.43 0.00 2.19 2.11 0.00 3.80 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 32 D 7.93 4.46 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.53 3.98 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 34 Q 8.00 3.91 0.00 2.11 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 35 V 7.72 3.67 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 0.74 0.00 0.00 1.00 0.00 0.00 36 R 7.84 4.07 0.00 2.02 2.00 0.00 3.10 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 37 D 8.08 4.39 0.00 2.94 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 38 T 7.61 3.89 4.38 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 1.22 0.00 0.00 39 L 8.58 4.22 0.00 1.70 1.79 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.53 4.10 0.00 2.09 2.22 0.00 2.75 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 41 A 7.51 4.51 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 7.39 3.68 2.33 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 1.09 0.00 0.00 1.00 0.00 0.00 43 Y 8.51 4.40 0.00 3.22 3.19 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 0.00 44 E 7.84 3.40 0.00 1.79 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 2.10 2.09 0.00 45 K 7.36 4.30 0.00 1.96 1.86 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.33 7.81 46 D 7.96 4.75 0.00 2.75 2.79 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 47 A 8.64 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.31 4.30 0.00 2.93 2.90 0.00 0.00 6.88 7.13 0.00 0.00 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 8.48 4.04 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 4.02 0.00 1.94 1.79 0.93 1.03 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 51 I 7.83 3.69 2.04 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 1.48 0.79 0.93 0.00 0.00 52 A 7.84 4.04 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 53 V 8.35 3.63 2.25 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 1.03 0.00 0.00 1.01 0.00 0.00 54 S 8.56 4.16 0.00 4.01 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 55 A 7.97 4.05 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 56 V 7.69 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 1.04 0.00 0.00 1.00 0.00 0.00 57 V 8.02 3.74 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 1.05 0.00 0.00 0.41 0.00 0.00 58 A 7.86 4.09 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 59 T 7.79 3.79 4.31 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 1.18 0.00 0.00 60 H 7.83 4.19 0.00 3.16 3.38 0.00 5.63 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.63 4.35 0.00 3.14 3.20 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 62 Q 8.16 4.01 0.00 2.41 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 63 T 7.61 3.78 4.40 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 1.19 0.00 0.00 64 I 8.19 3.63 1.89 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.38 1.06 0.00 0.00 65 A 7.99 3.00 1.05 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 0.00 0.00 0.00 0.00 0.00 66 A 7.42 2.98 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 67 A 7.01 3.70 1.17 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 68 N 7.19 4.13 0.00 1.44 1.42 0.00 0.00 6.83 8.17 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 69 D 7.76 4.04 0.00 2.59 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.58 3.41 0.00 3.14 3.10 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 71 W 7.58 3.91 0.00 3.68 3.10 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