NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9433 8.3544 109.7365 45.7425 0.0000 172.8339 2 S 4.3277 8.0722 117.8728 56.0105 65.0800 172.4608 3 S 4.2939 8.8503 120.7559 58.2220 64.0370 173.0420 4 G 4.3189 8.1784 118.3414 44.3853 0.0000 172.2414 5 S 4.2559 8.6977 117.5437 58.3187 63.5154 174.3546 6 S 4.1113 8.6046 117.4322 58.1510 63.0456 174.3321 7 G 3.8127 8.6126 111.4401 46.5566 0.0000 171.7489 8 K 4.2227 8.6271 124.3546 57.9715 33.7595 176.5509 9 R 3.9695 7.8877 120.8492 56.5476 28.7669 175.1720 10 Q 4.5310 8.3849 122.9447 54.1641 31.2896 175.7121 11 K 4.5988 8.5263 127.3171 55.9110 33.0182 176.7796 12 I 4.1044 7.7895 120.4702 60.4093 37.5006 175.8017 13 H 4.7895 8.1739 121.1348 53.1858 30.5772 174.2735 14 L 4.1543 8.3061 121.4836 55.4050 42.7584 176.7935 15 G 4.1443 8.0963 109.1786 43.9519 0.0000 171.3237 16 D 4.5632 8.0688 120.6837 56.8956 42.7873 177.8109 17 R 3.8992 8.0199 116.4873 59.0228 30.2749 177.0811 18 S 4.0322 7.7713 110.7367 58.5873 63.1273 173.2842 19 Q 4.4605 8.3661 126.0631 53.6901 32.2701 173.8020 20 K 4.6756 8.2715 126.0507 55.2612 33.3137 175.9722 21 C 4.7792 9.0324 128.1858 60.0907 32.4136 173.7531 22 S 4.4775 8.7037 116.5809 59.3068 63.2482 175.4668 23 K 4.0941 7.9416 120.9315 58.8087 32.4890 177.0932 24 C 4.3001 8.0839 112.8355 59.1869 30.6116 174.9232 25 G 4.2191 8.3836 106.9120 46.1095 0.0000 172.6614 26 I 4.4065 7.7380 118.3995 59.3603 40.7341 173.9797 27 I 4.6817 8.2256 127.0533 60.2917 38.0716 175.1246 28 F 5.0397 8.3729 120.8797 55.5163 42.3285 173.3279 29 I 4.5936 8.4621 119.5260 59.3474 38.1637 176.4243 30 R 4.2811 8.6571 127.6083 56.4169 30.1742 176.4840 31 R 4.7183 8.3446 118.7492 53.4606 32.3716 175.4998 32 S 4.0712 8.4905 113.8451 59.7314 63.0869 174.3334 33 T 4.5187 8.0541 117.9586 60.3340 70.0151 173.2627 34 L 4.0185 8.5332 127.5466 54.8028 40.6499 176.4509 35 S 4.0135 8.2336 119.5328 58.8743 62.7717 173.7279 36 R 4.4016 8.7692 123.2557 57.3310 31.8290 175.4848 37 R 4.6481 7.7252 114.2844 54.2946 33.0973 176.2411 38 K 4.3564 8.2220 122.7870 54.8177 31.4054 176.2965 39 T 4.5327 7.0063 111.0670 60.3769 71.0057 171.9566 40 P 4.5930 0.0000 0.0000 63.5510 32.0380 174.4584 41 M 5.0577 8.5113 124.7542 53.3246 34.4484 175.9541 42 C 2.4879 8.5011 117.7217 57.0865 31.4770 174.5499 43 E 3.6612 8.0154 121.8856 59.5497 28.8555 179.5517 44 K 3.7809 7.8585 117.7314 59.9234 32.5150 177.9182 45 C 4.2109 7.9058 115.9312 62.9452 27.9655 175.9672 46 R 3.8372 7.8501 118.6301 59.6344 29.7599 178.5325 47 K 3.9918 7.6280 116.2565 59.0105 32.9225 177.1265 48 D 4.6917 8.5615 120.0006 53.8185 40.7308 177.7876 49 S 3.9723 7.8668 113.9297 59.4542 63.7807 173.5310 50 C 3.7870 7.3055 119.7883 60.8140 29.9330 173.0591 51 Q 4.2645 8.0386 119.8629 57.4372 30.1801 174.5646 52 E 3.9966 8.0354 117.5747 56.8882 28.5823 176.4081 53 A 4.1396 8.5103 126.7413 54.4290 19.3210 178.1099 54 A 4.1819 7.7164 117.3426 51.7963 19.1343 177.2462 55 L 4.0107 8.7067 121.9889 57.9072 41.8412 177.7674 56 N 4.4525 8.0088 114.7617 54.0144 39.3161 172.9964 57 K 4.4583 8.3878 116.7531 57.2406 34.4481 176.6641 58 D 4.6924 7.8399 116.5206 53.1979 44.6403 175.6744 59 E 4.6108 8.8760 124.5556 56.1320 30.4239 176.2086 60 G 4.0593 9.2930 103.3316 46.6649 0.0000 175.3551 61 N 4.5153 7.6163 116.4707 52.3847 40.7031 173.3981 62 E 4.2776 8.5211 128.6051 54.0031 28.7227 174.8320 63 S 4.1163 8.5849 120.3064 58.3740 63.1701 174.3390 64 G 4.1477 8.3666 114.0834 43.0290 0.0000 172.5227 65 K 4.1665 8.5057 123.3084 55.4780 32.8649 177.0051 66 K 3.7948 8.5242 120.3622 57.6184 32.4132 176.1644 67 T 4.6374 8.0968 116.6535 59.3673 70.5370 173.1943 68 S 3.9114 8.7521 120.3949 59.8561 62.9203 172.4516 69 G 4.0361 8.7956 117.6186 44.0236 0.0000 171.2281 70 P 4.4120 0.0000 0.0000 62.3779 32.2781 175.9310 71 S 4.5694 8.3065 114.5520 57.0724 62.6077 173.6014 72 S 4.6842 7.9635 118.5067 56.7323 65.7190 174.0344 73 G 3.7738 8.3657 111.1614 46.3665 0.0000 173.4837 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 G 8.35 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.07 4.33 0.00 3.87 3.69 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 3 S 8.85 4.29 0.00 3.87 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 4 G 8.18 4.32 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 0.00 5 S 8.70 4.26 0.00 3.87 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.60 4.11 0.00 3.97 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 7 G 8.61 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.63 4.22 0.00 1.70 1.80 0.00 1.79 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 1.32 1.42 7.81 9 R 7.89 3.97 0.00 1.84 1.92 0.00 3.20 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 10 Q 8.38 4.53 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.51 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 11 K 8.53 4.60 0.00 1.73 1.77 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.48 7.81 12 I 7.79 4.10 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 1.45 0.50 0.87 0.00 0.00 13 H 8.17 4.79 0.00 3.22 3.32 0.00 5.73 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.31 4.15 0.00 1.62 1.64 0.92 0.91 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 15 G 8.10 4.14 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 0.00 16 D 8.07 4.56 0.00 2.61 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 3.90 0.00 1.83 1.98 0.00 3.31 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 18 S 7.77 4.03 0.00 3.86 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 19 Q 8.37 4.46 0.00 1.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 20 K 8.27 4.68 0.00 1.76 1.66 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.44 7.81 21 C 9.03 4.78 0.00 3.39 3.08 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 22 S 8.70 4.48 0.00 3.89 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.94 4.09 0.00 1.76 1.79 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 24 C 8.08 4.30 0.00 3.13 3.04 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 25 G 8.38 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 0.00 0.00 0.00 0.00 26 I 7.74 4.41 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 1.04 0.00 0.00 27 I 8.23 4.68 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.95 0.87 0.00 0.00 28 F 8.37 5.04 0.00 3.10 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.46 4.59 1.96 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 1.39 0.94 0.94 0.00 0.00 30 R 8.66 4.28 0.00 1.80 1.97 0.00 3.22 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.55 0.00 31 R 8.34 4.72 0.00 1.88 1.93 0.00 3.14 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 32 S 8.49 4.07 0.00 3.89 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 33 T 8.05 4.52 4.34 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 1.23 0.00 0.00 34 L 8.53 4.02 0.00 1.67 1.65 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.23 4.01 0.00 3.86 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.77 4.40 0.00 1.83 1.87 0.00 3.18 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 37 R 7.73 4.65 0.00 1.81 1.80 0.00 3.24 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 38 K 8.22 4.36 0.00 1.70 1.76 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.48 7.81 39 T 7.01 4.53 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 1.22 0.00 0.00 40 P 0.00 4.59 0.00 2.44 2.30 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 41 M 8.51 5.06 0.00 1.81 1.93 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 2.63 2.50 0.00 42 C 8.50 2.49 0.00 2.85 3.04 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 43 E 8.02 3.66 0.00 1.93 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 2.31 2.29 0.00 44 K 7.86 3.78 0.00 1.71 1.80 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.52 7.81 45 C 7.91 4.21 0.00 3.05 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 46 R 7.85 3.84 0.00 1.84 1.96 0.00 3.07 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 47 K 7.63 3.99 0.00 1.96 1.86 0.00 1.66 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.54 7.81 48 D 8.56 4.69 0.00 2.68 2.66 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 49 S 7.87 3.97 0.00 4.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.31 3.79 0.00 3.23 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 51 Q 8.04 4.26 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.96 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 52 E 8.04 4.00 0.00 1.99 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 2.31 2.25 0.00 53 A 8.51 4.14 1.27 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 0.00 0.00 0.00 54 A 7.72 4.18 1.24 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 0.00 0.00 55 L 8.71 4.01 0.00 1.64 1.77 0.92 1.00 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 56 N 8.01 4.45 0.00 2.65 2.74 0.00 0.00 6.74 6.68 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 57 K 8.39 4.46 0.00 1.73 1.77 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.41 7.81 58 D 7.84 4.69 0.00 2.58 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.88 4.61 0.00 2.03 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 2.16 2.26 0.00 60 G 9.29 4.06 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 0.00 0.00 0.00 61 N 7.62 4.52 0.00 2.63 2.68 0.00 0.00 7.15 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 62 E 8.52 4.28 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 63 S 8.58 4.12 0.00 4.01 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 64 G 8.37 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 65 K 8.51 4.17 0.00 1.76 1.75 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.45 7.81 66 K 8.52 3.79 0.00 1.74 1.80 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.47 7.81 67 T 8.10 4.64 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 68 S 8.75 3.91 0.00 4.01 3.92 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 69 G 8.80 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 70 P 0.00 4.41 0.00 2.19 2.10 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 71 S 8.31 4.57 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.96 4.68 0.00 3.75 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 73 G 8.37 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 0.00 0.00 0.00