NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5768 8.1476 118.3247 55.2899 33.4174 173.6315 2 Q 5.4074 8.4955 117.0920 52.0276 31.8096 172.7390 3 I 4.5431 8.5954 114.6005 59.1604 42.3559 174.8171 4 F 5.4368 8.7012 120.7309 55.7859 42.3238 175.0852 5 V 5.0181 9.3494 121.5185 61.0970 34.5023 174.3835 6 K 5.1855 9.1761 127.2289 55.3247 35.9654 175.7994 7 T 5.2458 8.3968 112.4790 59.6330 70.6904 175.7688 8 L 3.9728 8.6272 122.0194 58.0483 41.7556 178.8831 9 T 3.9182 7.7816 111.7564 63.1482 67.4601 174.8214 10 G 4.0372 8.1577 108.2131 44.6810 0.0000 173.6826 11 K 4.0943 7.9078 121.7741 56.8342 33.1782 175.5315 12 T 5.1952 8.5583 123.7758 61.8301 71.1444 173.3353 13 I 4.6516 9.4637 128.4443 59.6480 39.9364 174.5088 14 T 5.0361 8.6237 117.0662 60.1448 70.5131 173.8680 15 L 4.8184 9.0590 124.9034 52.7915 45.7590 174.9060 16 E 4.7991 8.6274 122.5174 54.9760 30.7241 175.1667 17 V 4.7377 9.2540 120.5134 60.0178 36.6828 174.2873 18 E 4.7214 8.8965 119.7623 53.9680 32.7761 176.0429 19 P 4.4286 0.0000 0.0000 65.6294 31.5559 178.2719 20 S 4.3928 7.8967 110.2444 59.1759 63.8343 174.2098 21 D 4.3851 8.3694 123.6638 54.8823 41.2349 176.3448 22 T 4.7616 8.2576 113.4453 60.9856 70.4948 175.6987 23 I 3.6887 8.8079 124.2709 64.7328 37.2420 178.3503 24 E 3.9586 8.3179 119.9839 59.3848 28.9228 178.4158 25 N 4.4622 8.1680 117.0863 56.2418 39.1467 177.1990 26 V 3.6430 7.5865 119.4076 65.7714 31.7037 177.9694 27 K 4.4950 8.3819 119.4150 59.0339 31.9350 179.1330 28 A 4.1428 7.6428 119.7344 55.0919 18.3435 179.7299 29 K 4.0518 7.6882 115.6348 59.1879 32.1042 179.6830 30 I 3.7800 7.5900 120.2073 64.2048 36.9836 178.0437 31 Q 4.4548 8.4509 122.2444 58.7782 28.6240 178.1376 32 D 4.3121 7.7778 118.8991 57.2652 40.9873 178.4362 33 K 4.2758 7.8315 116.6610 57.5455 32.2621 177.3898 34 E 4.5012 8.6657 116.8274 55.0321 31.3830 177.6410 35 G 3.7945 8.8219 107.0712 45.1393 0.0000 173.7447 36 I 3.8949 7.1594 121.8809 60.0808 37.4343 173.9372 37 P 4.5024 0.0000 0.0000 61.8559 32.1346 175.3917 38 P 4.2240 0.0000 0.0000 65.9307 31.2864 177.9291 39 D 4.5354 8.0738 114.2923 55.1036 39.5639 176.3212 40 Q 4.4794 8.3467 119.1190 56.2049 30.5094 175.0224 41 Q 4.8215 8.1220 119.7574 54.6189 31.2202 175.1659 42 R 4.6583 8.5278 121.4133 54.6664 33.8817 174.0866 43 L 5.2121 8.4903 124.1341 53.2155 44.4740 175.8479 44 I 5.1741 8.7132 122.5903 59.6775 41.7208 174.1781 45 F 5.0996 9.1483 127.5104 57.0894 43.0644 174.2802 46 A 3.4172 8.9249 127.9819 53.1319 15.8623 177.9313 47 G 3.8772 8.2588 106.4497 46.3948 0.0000 173.8347 48 K 4.5242 7.8842 121.4763 54.1852 34.3585 174.3886 49 Q 4.6547 8.4610 126.9094 55.5888 29.7158 175.1352 50 L 3.9978 8.7247 127.4387 54.4231 42.8115 176.0566 51 E 4.5883 9.5111 122.8343 54.8017 31.2238 176.8551 52 D 4.4629 9.1764 124.3117 57.7618 41.0717 179.1919 53 G 3.7330 8.0089 105.1693 46.9706 0.0000 173.6885 54 R 4.4371 8.3065 120.5022 55.4777 31.6700 175.2375 55 T 5.0753 9.0994 109.4852 59.6141 71.1991 175.6522 56 L 4.1322 8.5449 122.6933 57.9034 41.9908 180.2670 57 S 4.1261 8.1553 113.4268 61.1685 63.1898 176.1777 58 D 4.1512 7.8005 120.2978 56.8808 40.5209 176.7730 59 Y 4.6269 7.8696 113.5780 56.9889 38.1070 174.8528 60 N 4.2210 8.1728 116.1167 54.1464 36.8054 174.5928 61 I 3.4327 7.9921 119.5212 61.0281 37.6934 176.2465 62 Q 4.4959 8.2120 124.2229 53.6429 30.9350 174.5786 63 R 3.9495 8.4011 117.6000 58.2604 30.0965 175.5171 64 E 3.5523 8.7281 123.1414 57.3791 27.8723 174.9823 65 S 4.6399 7.6581 113.9372 58.9220 64.4847 173.2447 66 T 5.1564 8.6953 117.6641 62.0568 70.7101 173.6973 67 L 4.9878 9.2858 126.8191 53.6985 44.3573 175.0981 68 H 5.2536 9.4307 120.3443 54.1311 31.2359 173.4218 69 L 5.2985 9.0759 125.9688 53.1412 44.7139 175.2791 70 V 4.7544 8.4952 124.8571 59.8640 34.4857 174.3835 71 L 4.8467 8.5329 124.5648 53.7020 42.5684 176.8932 72 R 4.2196 8.5249 120.6375 56.2824 29.9457 176.5611 73 L 4.4074 8.5408 119.2996 55.5122 42.7483 177.0069 74 R 4.7123 7.1269 115.4092 54.4284 33.9597 176.5475 75 G 3.0158 7.2810 101.3072 43.7098 0.0000 174.9467 76 G 3.4116 8.7344 112.2943 44.7381 0.0000 173.0052 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 8.15 4.58 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 Q 8.50 5.41 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.16 1.89 0.00 3 I 8.60 4.54 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.79 0.74 0.00 0.00 4 F 8.70 5.44 0.00 2.99 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 5 V 9.35 5.02 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 1.01 0.00 0.00 0.93 0.00 0.00 6 K 9.18 5.19 0.00 1.87 1.82 0.00 1.33 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.09 1.24 7.81 7 T 8.40 5.25 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 8 L 8.63 3.97 0.00 1.67 1.80 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.78 3.92 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 10 G 8.16 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 0.00 0.00 0.00 11 K 7.91 4.09 0.00 1.87 1.71 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.57 7.81 12 T 8.56 5.20 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 13 I 9.46 4.65 1.90 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 1.30 1.01 0.93 0.00 0.00 14 T 8.62 5.04 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 1.51 0.00 0.00 15 L 9.06 4.82 0.00 1.45 1.51 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.63 4.80 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 17 V 9.25 4.74 2.13 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 0.71 0.00 0.00 0.91 0.00 0.00 18 E 8.90 4.72 0.00 1.99 1.76 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 2.18 2.37 0.00 19 P 0.00 4.43 0.00 2.15 2.10 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 20 S 7.90 4.39 0.00 3.96 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 21 D 8.37 4.39 0.00 2.82 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 4.76 4.48 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 1.22 0.00 0.00 23 I 8.81 3.69 2.01 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 1.77 1.12 0.97 0.00 0.00 24 E 8.32 3.96 0.00 2.25 1.97 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 2.32 2.34 0.00 25 N 8.17 4.46 0.00 2.89 2.91 0.00 0.00 6.75 7.37 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 26 V 7.59 3.64 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 0.99 0.00 0.00 0.97 0.00 0.00 27 K 8.38 4.49 0.00 1.86 1.84 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.59 1.42 7.81 28 A 7.64 4.14 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 29 K 7.69 4.05 0.00 2.01 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.66 7.81 30 I 7.59 3.78 2.16 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 1.40 0.84 0.91 0.00 0.00 31 Q 8.45 4.45 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 32 D 7.78 4.31 0.00 2.91 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 33 K 7.83 4.28 0.00 1.77 1.86 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.62 7.81 34 E 8.67 4.50 0.00 2.02 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 2.21 2.36 0.00 35 G 8.82 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 0.00 0.00 0.00 36 I 7.16 3.89 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 1.30 1.27 0.91 0.00 0.00 37 P 0.00 4.50 0.00 2.29 1.97 0.00 3.63 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.22 0.00 2.17 2.13 0.00 3.60 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 2.12 2.11 0.00 39 D 8.07 4.54 0.00 2.78 2.80 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 0.00 0.00 0.00 40 Q 8.35 4.48 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 41 Q 8.12 4.82 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 42 R 8.53 4.66 0.00 1.81 1.80 0.00 3.10 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 43 L 8.49 5.21 0.00 1.55 1.52 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.71 5.17 1.90 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 1.10 0.65 0.91 0.00 0.00 45 F 9.15 5.10 0.00 2.95 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 46 A 8.92 3.42 0.77 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 0.00 0.00 47 G 8.26 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 0.00 0.00 0.00 48 K 7.88 4.52 0.00 1.79 1.80 0.00 1.95 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.40 7.81 49 Q 8.46 4.65 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 50 L 8.72 4.00 0.00 1.38 1.23 0.70 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.51 4.59 0.00 1.98 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 2.39 2.50 0.00 52 D 9.18 4.46 0.00 2.75 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 53 G 8.01 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.31 4.44 0.00 2.28 1.85 0.00 3.14 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.56 0.00 55 T 9.10 5.08 4.42 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 1.26 0.00 0.00 56 L 8.54 4.13 0.00 1.84 1.70 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.16 4.13 0.00 4.02 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 0.00 58 D 7.80 4.15 0.00 2.44 2.29 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 59 Y 7.87 4.63 0.00 2.98 3.09 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 60 N 8.17 4.22 0.00 2.99 2.97 0.00 0.00 6.93 8.27 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 61 I 7.99 3.43 1.78 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.35 0.50 0.00 0.00 62 Q 8.21 4.50 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 63 R 8.40 3.95 0.00 1.76 1.89 0.00 3.40 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 64 E 8.73 3.55 0.00 2.22 2.28 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 2.16 2.20 0.00 65 S 7.66 4.64 0.00 3.67 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.70 5.16 4.41 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 1.22 0.00 0.00 67 L 9.29 4.99 0.00 1.75 1.59 0.73 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 68 H 9.43 5.25 0.00 3.10 3.25 0.00 5.76 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 69 L 9.08 5.30 0.00 1.71 1.49 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.50 4.75 2.09 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 0.83 0.00 0.00 0.94 0.00 0.00 71 L 8.53 4.85 0.00 1.55 1.64 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 72 R 8.52 4.22 0.00 1.93 1.93 0.00 3.11 0.00 0.00 3.46 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 73 L 8.54 4.41 0.00 1.65 1.76 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.13 4.71 0.00 1.74 1.78 0.00 3.23 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 75 G 7.28 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 0.00 0.00 0.00 76 G 8.73 3.41 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 0.00