NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3561 8.2649 123.5889 51.9860 19.6388 178.5328 2 R 4.2565 5.8400 111.9728 54.5143 31.8842 174.5950 3 K 4.8610 8.6878 119.8043 54.7163 36.7098 174.8935 4 F 5.4901 8.3242 118.5295 56.2040 40.8211 172.5398 5 Y 4.8624 8.2078 117.4341 56.1981 41.9373 173.1810 6 V 4.6137 8.4837 119.6583 61.4316 33.6000 174.9296 7 D 4.8551 9.3890 128.4848 53.3699 40.4702 176.8765 8 Q 4.1991 8.8665 126.3766 58.4934 29.1965 178.7360 9 D 4.4635 8.4105 117.0480 56.7205 40.9377 176.9942 10 E 4.4043 7.8760 116.5892 56.7561 30.6749 176.1127 11 C 4.0902 7.6031 119.1011 59.8616 31.4247 172.9833 12 I 4.2047 8.5070 119.4603 60.2046 37.3885 175.4473 13 A 3.8640 8.2937 120.8444 53.4373 16.4688 179.2984 14 C 3.6225 7.4903 114.8364 61.0985 29.6319 175.4744 15 E 3.8390 7.9240 117.5098 56.9504 27.9445 176.0445 16 S 4.0512 7.6133 115.7235 61.9388 62.8324 176.2773 17 C 3.6642 7.8089 116.3001 61.3556 28.8072 176.0229 18 V 3.8169 7.4875 112.8854 63.3699 31.4012 177.9784 19 E 4.1120 7.8609 118.2274 59.3212 29.4177 178.9859 20 I 3.9592 7.8846 118.7885 62.9994 38.9180 176.6081 21 A 5.0632 8.2147 121.5996 48.5180 18.4508 174.6931 22 P 4.4467 0.0000 0.0000 64.3680 32.3049 179.0074 23 G 3.7268 8.1762 107.2028 46.8359 0.0000 174.5854 24 A 4.5769 8.0063 120.7890 52.1709 21.4517 176.5511 25 F 5.2999 8.3433 112.1819 55.8464 42.1989 175.0718 26 A 4.7202 8.1626 121.7536 50.6708 23.0934 175.0399 27 M 4.7341 8.5405 119.0330 54.6858 33.5286 176.0911 28 D 4.7695 9.4030 124.2533 52.4392 40.9840 175.1888 29 P 4.3553 0.0000 0.0000 65.5381 31.7438 177.5943 30 E 4.0502 8.0932 118.6400 58.4487 29.4966 177.2729 31 I 4.2209 7.6462 107.9467 59.8349 39.0922 174.8360 32 E 3.8728 7.8727 119.9849 57.7037 27.3039 174.0964 33 K 4.8689 7.3057 117.2369 54.4569 37.2868 177.4088 34 A 5.1000 8.6599 123.9974 52.0743 20.1614 175.9743 35 Y 4.8987 8.3762 116.6552 55.7810 42.2806 174.1215 36 V 3.8536 8.4064 120.7211 62.0268 31.3205 175.6997 37 K 4.3094 8.3007 128.1529 58.2761 33.8438 176.8419 38 D 4.2045 7.3886 118.0280 53.3763 42.8593 176.1887 39 V 3.1848 8.3900 127.5662 63.9389 31.3165 176.6961 40 E 4.5317 8.3846 119.0524 56.2603 29.4823 176.9551 41 G 4.0886 8.3673 106.3594 44.8831 0.0000 173.4034 42 A 4.5152 7.3139 119.7627 49.7088 22.5011 177.5064 43 S 4.5118 8.2840 115.2467 57.6891 65.5080 175.0712 44 Q 4.0549 8.6143 122.3842 59.6186 28.6916 178.3187 45 E 4.0117 8.1245 119.0675 59.3197 29.0595 178.7570 46 E 3.9707 8.2196 119.4292 59.1003 29.5907 179.0319 47 V 3.5487 7.9560 118.4949 65.8927 31.4785 177.8426 48 E 3.9178 8.3203 118.4046 59.2693 29.3068 178.7578 49 E 3.8610 8.2465 119.0937 59.3651 29.6977 178.8892 50 A 3.8238 7.8355 120.4610 55.2712 18.1838 179.4707 51 M 3.7926 7.8458 116.3286 58.7696 32.1271 178.5799 52 D 4.4487 8.1936 117.9463 57.4955 41.0271 178.6608 53 T 4.1971 7.8104 115.5061 64.8570 68.6937 173.8682 54 C 3.8352 7.5433 121.6829 58.8195 31.4996 172.1846 55 P 4.1732 0.0000 0.0000 65.4686 30.6705 177.4598 56 V 4.1276 7.6915 108.8619 59.9880 32.1541 175.4924 57 Q 3.2000 7.6357 118.3291 57.4065 26.7290 173.9184 58 C 4.6085 7.6653 109.0359 58.0651 31.7012 173.7476 59 I 4.6038 7.3199 120.9333 60.4681 38.0868 174.6732 60 H 4.9482 8.2145 123.5646 53.3552 32.5168 173.3519 61 W 4.9050 8.7685 120.3800 56.5925 30.5692 175.0975 62 E 4.7952 8.9279 124.4562 56.7243 29.5389 175.8985 63 D 4.9057 9.7281 124.3551 54.1191 38.9514 175.5297 64 E 4.2369 7.9521 122.7090 56.9088 29.4753 176.7552 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 A 8.26 4.36 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 2 R 5.84 4.26 0.00 2.16 2.53 0.00 3.30 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.91 0.00 3 K 8.69 4.86 0.00 1.87 1.80 0.00 1.77 0.00 0.00 1.91 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.49 7.81 4 F 8.32 5.49 0.00 2.67 2.49 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 0.00 0.00 0.00 5 Y 8.21 4.86 0.00 3.07 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 6 V 8.48 4.61 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.16 0.00 0.00 7 D 9.39 4.86 0.00 3.02 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.87 4.20 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.42 6.64 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 9 D 8.41 4.46 0.00 2.87 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 10 E 7.88 4.40 0.00 2.15 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 0.00 2.30 2.40 0.00 11 C 7.60 4.09 0.00 2.99 2.89 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 12 I 8.51 4.20 1.86 0.00 0.00 0.84 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 0.69 0.96 0.00 0.00 13 A 8.29 3.86 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 14 C 7.49 3.62 0.00 3.11 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 15 E 7.92 3.84 0.00 2.20 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 0.00 2.20 2.44 0.00 16 S 7.61 4.05 0.00 3.82 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 17 C 7.81 3.66 0.00 1.59 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.49 3.82 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 0.79 0.00 0.00 0.95 0.00 0.00 19 E 7.86 4.11 0.00 2.10 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 2.32 0.00 20 I 7.88 3.96 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.41 0.88 0.00 0.00 21 A 8.21 5.06 1.42 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 0.00 0.00 22 P 0.00 4.45 0.00 2.21 2.34 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 23 G 8.18 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 24 A 8.01 4.58 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 25 F 8.34 5.30 0.00 2.82 2.83 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 26 A 8.16 4.72 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.54 4.73 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 28 D 9.40 4.77 0.00 2.77 2.82 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 0.00 0.00 0.00 29 P 0.00 4.36 0.00 2.24 2.21 0.00 3.87 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 2.01 1.99 0.00 30 E 8.09 4.05 0.00 1.99 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 0.00 2.32 2.25 0.00 31 I 7.65 4.22 1.88 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 1.53 0.94 0.91 0.00 0.00 32 E 7.87 3.87 0.00 2.09 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 2.29 2.41 0.00 33 K 7.31 4.87 0.00 1.75 1.72 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.24 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.51 7.81 34 A 8.66 5.10 1.26 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 0.00 0.00 0.00 35 Y 8.38 4.90 0.00 3.08 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 36 V 8.41 3.85 1.89 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 0.21 0.00 0.00 0.78 0.00 0.00 37 K 8.30 4.31 0.00 1.79 1.65 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.26 7.81 38 D 7.39 4.20 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.39 3.18 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 0.86 0.00 0.00 0.30 0.00 0.00 40 E 8.38 4.53 0.00 2.07 2.02 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 2.27 2.40 0.00 41 G 8.37 4.09 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 0.00 0.00 0.00 42 A 7.31 4.52 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 43 S 8.28 4.51 0.00 4.09 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 44 Q 8.61 4.05 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.95 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 45 E 8.12 4.01 0.00 2.03 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 2.41 2.32 0.00 46 E 8.22 3.97 0.00 2.08 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 0.00 2.34 2.32 0.00 47 V 7.96 3.55 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 -0.10 0.00 0.00 0.75 0.00 0.00 48 E 8.32 3.92 0.00 2.26 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 0.00 2.51 2.65 0.00 49 E 8.25 3.86 0.00 2.16 2.12 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 2.27 2.31 0.00 50 A 7.84 3.82 1.13 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 0.00 0.00 0.00 51 M 7.85 3.79 0.00 1.81 2.12 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.25 0.00 52 D 8.19 4.45 0.00 2.63 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.81 4.20 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 1.14 0.00 0.00 54 C 7.54 3.84 0.00 2.92 2.83 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 55 P 0.00 4.17 0.00 2.18 2.15 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 56 V 7.69 4.13 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 0.74 0.00 0.00 0.93 0.00 0.00 57 Q 7.64 3.20 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 58 C 7.67 4.61 0.00 3.11 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 59 I 7.32 4.60 1.66 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 1.28 0.46 1.00 0.00 0.00 60 H 8.21 4.95 0.00 2.37 3.04 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.77 4.91 0.00 3.42 3.16 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 62 E 8.93 4.80 0.00 2.27 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 0.00 2.39 2.45 0.00 63 D 9.73 4.91 0.00 2.86 3.13 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 0.00 64 E 7.95 4.24 0.00 2.22 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 2.54 2.66 0.00