NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1803 8.3001 120.3264 56.0502 33.3367 169.7534 2 A 4.1674 8.6337 130.7807 52.3469 17.7568 175.6105 3 M 4.7676 7.5887 122.0677 53.6981 36.8143 172.8832 4 N 5.0750 8.3750 118.1983 51.6308 39.6609 174.1930 5 G 4.5115 9.3511 109.5277 44.8734 0.0000 170.9696 6 T 5.1434 9.0314 116.8755 61.4921 71.5772 174.1670 7 I 3.9622 8.4082 127.2374 61.7037 37.5416 175.3695 8 T 4.2430 8.7715 115.6975 63.1748 70.6987 174.4013 9 T 4.5847 7.7811 120.1106 60.8383 70.6695 173.4948 10 W 5.0515 8.0876 134.7559 56.4875 34.1303 173.4594 11 F 4.2192 8.1090 127.0247 55.3910 39.2989 176.3598 12 K 3.7910 8.2341 126.1416 58.8109 32.6188 177.7309 13 D 4.4069 8.0052 117.5998 56.9445 41.4358 177.1784 14 K 4.0448 7.5320 116.7065 59.6410 32.7177 178.7906 15 G 3.9917 7.9033 108.7600 45.2147 0.0000 173.0159 16 F 5.0970 6.2988 112.3317 54.6514 41.5062 173.5850 17 G 3.9626 7.4754 105.7453 46.1940 0.0000 171.0120 18 F 5.9494 8.7280 117.9942 54.9813 43.3751 174.0425 19 I 4.7331 8.6518 123.6592 59.1719 40.2529 174.1125 20 K 5.4437 8.9261 127.9504 54.1449 34.5091 175.5819 21 D 5.1350 8.7180 127.0931 51.9249 41.8666 175.1029 22 E 4.4393 8.8980 116.9901 56.6546 30.6707 176.3469 23 N 4.7040 8.5511 115.7119 55.2705 41.3933 175.2373 24 G 3.7555 9.3152 103.9169 45.1770 0.0000 174.1170 25 D 4.5512 6.0500 125.3863 54.1150 46.7053 173.4500 26 N 5.1295 9.0033 114.9521 53.5585 39.6439 175.0058 27 R 4.9755 9.0215 121.5000 54.3275 33.7791 174.3765 28 Y 4.6651 9.1842 123.4573 57.6422 39.8818 174.4414 29 F 4.9085 8.7859 125.4921 56.1162 42.8360 174.1458 30 H 5.3777 8.5545 119.4902 54.6611 32.9345 174.4655 31 V 3.8628 9.3429 125.7885 65.0082 31.2443 178.3556 32 I 3.7124 7.6718 119.2566 63.4265 38.0644 176.1828 33 K 4.4637 8.4858 118.3771 55.9628 32.0898 175.5746 34 V 4.7507 7.6201 119.3744 61.0637 33.0009 175.7341 35 A 4.3065 8.7030 130.1770 53.9967 19.1624 177.4383 36 N 5.0398 7.6362 112.7571 50.6733 37.1108 173.1158 37 P 4.2199 0.0000 0.0000 65.7704 32.4459 178.4525 38 D 4.5711 8.0043 116.6067 55.4060 41.3986 176.2119 39 L 4.2484 7.2875 117.0596 55.4522 42.1657 176.6423 40 I 3.5717 7.0611 120.3042 60.9731 36.9489 175.4691 41 K 4.5997 7.8782 123.8583 53.6974 36.1400 175.9259 42 K 4.1196 8.3667 122.0518 58.0521 32.4423 176.6040 43 D 4.4952 9.0527 124.1565 54.2878 40.9256 173.5889 44 A 4.4305 7.5646 119.2066 52.0370 20.3952 176.3549 45 A 5.1258 8.3211 120.8663 50.7272 21.4412 176.7492 46 V 5.0256 9.0166 114.4708 59.7261 36.7523 174.5724 47 T 5.4143 9.2317 111.8361 59.0764 71.9012 172.9403 48 F 5.5689 7.4625 117.1299 56.0394 41.9491 172.4867 49 E 4.9851 9.4759 119.9329 54.5627 31.2723 174.1355 50 P 4.8699 0.0000 0.0000 63.3508 32.8526 174.9497 51 T 4.3829 8.1321 115.0451 62.2044 71.4634 171.5465 52 T 4.9272 8.3689 118.9723 61.7251 71.4103 173.0756 53 N 5.0277 8.9650 121.6704 51.7091 42.7641 174.9156 54 N 4.3592 8.9023 119.9337 56.0540 39.1003 175.6049 55 K 4.3685 8.8141 114.7713 56.2246 34.3555 178.0818 56 G 4.1865 6.1309 108.2940 46.5009 0.0000 173.2036 57 L 5.0687 7.9246 125.2980 53.3793 44.5975 174.7063 58 S 4.8506 8.4877 114.5748 57.2164 67.0282 172.3667 59 A 4.8235 7.1321 121.1130 50.3019 22.0966 174.7479 60 Y 4.9329 8.4238 116.2651 55.2933 42.6225 175.1647 61 A 3.7223 8.3297 120.3367 53.3915 16.0877 177.1517 62 V 4.4298 8.3350 122.5342 61.7889 33.5061 175.8292 63 K 5.1067 9.0579 127.5905 55.0334 35.0603 175.9643 64 V 3.9824 9.2277 125.3031 62.7081 32.5991 176.2324 65 V 4.3168 8.3887 127.5127 60.5216 30.7173 173.0746 66 P 4.4290 0.0000 0.0000 62.0447 32.1726 177.3111 67 L 4.2234 8.2599 119.5177 55.9717 42.1323 176.2473 68 E 4.5570 7.4844 116.4195 55.1910 33.4794 174.8214 69 H 4.8233 9.0784 118.1714 54.1482 29.2640 172.5640 70 H 5.1289 8.2376 120.0357 53.6114 31.1513 174.3533 71 H 4.5324 8.6483 118.7845 55.7655 29.1644 175.1590 72 H 4.7089 8.4873 119.6007 54.2635 29.9890 171.5112 73 H 4.7358 8.1772 120.7745 55.1490 32.8139 173.0399 74 H 4.3586 8.5953 124.7481 56.4374 29.7201 174.7027 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 4.18 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 2 A 8.63 4.17 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 3 M 7.59 4.77 0.00 1.85 1.65 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 4 N 8.38 5.07 0.00 2.76 2.84 0.00 0.00 5.52 7.26 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 5 G 9.35 4.51 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 0.00 6 T 9.03 5.14 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 1.24 0.00 0.00 7 I 8.41 3.96 1.86 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.59 0.64 0.00 0.00 8 T 8.77 4.24 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 1.22 0.00 0.00 9 T 7.78 4.58 4.71 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 1.45 0.00 0.00 10 W 8.09 5.05 0.00 3.19 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.11 4.22 0.00 1.89 2.42 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 12 K 8.23 3.79 0.00 1.84 1.85 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.87 1.59 7.81 13 D 8.01 4.41 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.53 4.04 0.00 1.01 1.70 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.20 1.17 7.81 15 G 7.90 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 16 F 6.30 5.10 0.00 3.08 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 17 G 7.48 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 18 F 8.73 5.95 0.00 3.01 3.01 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 0.00 19 I 8.65 4.73 0.56 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.11 0.74 0.00 0.00 20 K 8.93 5.44 0.00 2.05 1.68 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.25 7.81 21 D 8.72 5.13 0.00 2.93 3.06 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 22 E 8.90 4.44 0.00 1.94 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 2.22 2.28 0.00 23 N 8.55 4.70 0.00 2.71 3.03 0.00 0.00 6.88 8.00 0.00 0.00 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 G 9.32 3.76 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 0.00 0.00 0.00 25 D 6.05 4.55 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.00 5.13 0.00 2.64 2.86 0.00 0.00 6.66 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 27 R 9.02 4.98 0.00 1.75 1.57 0.00 2.95 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 28 Y 9.18 4.67 0.00 3.16 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 29 F 8.79 4.91 0.00 2.96 2.92 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 0.00 0.00 0.00 30 H 8.55 5.38 0.00 2.95 3.08 0.00 5.72 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.34 3.86 2.32 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 0.67 0.00 0.00 1.06 0.00 0.00 32 I 7.67 3.71 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.85 1.07 0.00 0.00 33 K 8.49 4.46 0.00 2.06 1.95 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.53 1.77 7.81 34 V 7.62 4.75 2.22 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 0.80 0.00 0.00 1.05 0.00 0.00 35 A 8.70 4.31 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 36 N 7.64 5.04 0.00 2.80 2.90 0.00 0.00 6.04 8.00 0.00 0.00 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 4.22 0.00 2.34 2.41 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 1.99 0.00 38 D 8.00 4.57 0.00 2.66 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 39 L 7.29 4.25 0.00 1.76 1.62 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.06 3.57 1.46 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.35 -0.80 0.00 0.00 41 K 7.88 4.60 0.00 1.67 1.58 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.51 7.81 42 K 8.37 4.12 0.00 1.70 1.70 0.00 1.85 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.36 7.81 43 D 9.05 4.50 0.00 2.78 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 44 A 7.56 4.43 1.19 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 0.00 0.00 45 A 8.32 5.13 1.20 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 0.00 0.00 46 V 9.02 5.03 2.22 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 0.52 0.00 0.00 1.07 0.00 0.00 47 T 9.23 5.41 4.13 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 0.00 0.00 0.00 1.14 0.00 0.00 48 F 7.46 5.57 0.00 3.22 3.37 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 0.00 49 E 9.48 4.99 0.00 2.00 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 0.00 2.56 2.49 0.00 50 P 0.00 4.87 0.00 2.10 2.12 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 51 T 8.13 4.38 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 0.10 0.00 0.00 52 T 8.37 4.93 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 1.20 0.00 0.00 53 N 8.97 5.03 0.00 2.68 2.71 0.00 0.00 7.16 6.44 0.00 0.00 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 N 8.90 4.36 0.00 2.69 2.77 0.00 0.00 6.93 6.66 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 55 K 8.81 4.37 0.00 1.77 1.73 0.00 0.61 0.00 0.00 1.15 0.00 0.00 2.64 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.45 1.17 7.81 56 G 6.13 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 0.00 0.00 0.00 0.00 57 L 7.92 5.07 0.00 1.64 1.57 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.49 4.85 0.00 3.54 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.13 4.82 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.42 4.93 0.00 2.92 2.75 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 61 A 8.33 3.72 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 62 V 8.34 4.43 2.30 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 1.07 0.00 0.00 1.26 0.00 0.00 63 K 9.06 5.11 0.00 1.79 1.89 0.00 1.41 0.00 0.00 1.87 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.49 7.81 64 V 9.23 3.98 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 0.75 0.00 0.00 0.90 0.00 0.00 65 V 8.39 4.32 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 0.81 0.00 0.00 0.93 0.00 0.00 66 P 0.00 4.43 0.00 2.40 1.99 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 67 L 8.26 4.22 0.00 1.60 1.70 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 68 E 7.48 4.56 0.00 1.74 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 69 H 9.08 4.82 0.00 3.06 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.24 5.13 0.00 3.13 3.17 0.00 5.71 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.65 4.53 0.00 3.30 3.34 0.00 5.47 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.49 4.71 0.00 3.11 3.28 0.00 5.76 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.18 4.74 0.00 3.10 3.17 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 H 8.60 4.36 0.00 3.10 3.07 0.00 5.81 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