NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3526 8.1933 116.7968 61.0297 64.3487 173.6146 3 R 3.5073 7.9526 112.6457 56.5775 28.0452 171.4392 4 V 4.1651 7.3796 112.1952 59.9768 33.6330 175.8373 5 C 3.9385 8.4247 125.5241 60.9643 31.6665 174.1396 6 Q 4.1127 8.3917 123.9447 56.7872 28.0819 174.7107 7 V 3.7969 7.7893 115.2856 63.8933 31.7325 176.6703 8 T 4.3426 7.7718 106.9867 60.1992 70.0284 174.8539 9 G 3.8336 8.3419 109.6081 45.3865 0.0000 173.3369 10 K 3.7963 7.7500 119.7305 57.0354 32.0182 176.8230 11 R 4.6165 8.2561 122.8874 53.4884 32.4097 174.0034 12 P 4.8390 0.0000 0.0000 61.9894 31.6829 176.7693 13 V 4.2526 8.5022 118.6037 60.9415 33.6887 175.1594 14 T 4.7071 8.0471 112.1643 60.2176 71.4425 174.3047 15 G 4.3372 7.7916 107.4924 46.4098 0.0000 171.8743 16 N 5.5899 8.8306 118.2374 51.7039 42.6277 174.3949 17 N 4.2376 9.6197 118.8953 55.3557 39.4836 176.5980 18 R 4.1599 7.8780 116.5274 57.1083 27.5428 174.0455 19 S 4.3230 7.3291 119.6345 57.9809 64.5613 173.5700 20 H 3.8984 8.6015 119.5179 57.2805 29.8104 175.0451 21 A 3.5966 8.2656 121.2428 51.6884 16.0690 177.4866 22 L 3.6094 7.1328 113.8589 56.3897 40.0508 174.8391 23 N 4.7550 7.7627 114.8335 52.4202 40.0822 175.5554 24 A 4.4849 8.5960 126.5667 52.0673 19.6014 176.9728 25 T 4.4428 8.4118 118.6029 61.2341 71.7629 173.2795 26 K 4.6089 8.6724 125.7484 56.7214 32.4675 176.3696 27 R 4.3584 8.1988 123.6164 54.7438 34.6214 175.4067 28 R 4.5451 7.6374 112.0670 55.6627 31.1500 174.5008 29 F 4.7784 9.3579 121.6358 55.5829 40.3783 174.4755 30 L 4.2857 8.2995 123.5171 54.0007 41.6437 176.5058 31 P 4.4540 0.0000 0.0000 63.1042 31.1238 174.4570 32 N 4.4078 8.4802 115.5847 54.6447 39.6012 174.4781 33 L 4.0561 7.4710 119.1906 54.8047 41.0631 174.1391 34 H 4.4935 8.8573 113.6515 55.2390 33.9728 173.2914 35 S 4.2302 8.0977 113.2614 57.9770 60.6642 170.6103 36 H 4.5687 8.0819 125.1620 54.7666 32.2890 174.1537 37 R 4.1358 7.5558 123.0340 55.3457 29.8803 175.4329 38 F 4.9250 8.4724 123.8086 55.9977 41.1537 175.8781 39 W 5.5863 9.3750 133.4967 55.9576 29.2783 176.5954 40 V 3.3323 8.4521 118.4953 62.0746 30.8484 176.5546 41 E 2.0000 5.9000 118.7761 56.3860 30.6403 176.2606 42 S 3.9632 7.7414 114.2501 61.5809 63.3663 176.0091 43 E 3.8505 7.9056 121.2987 55.8163 29.4931 178.5260 44 K 3.6048 7.7601 116.8386 57.6045 33.7180 176.8818 45 R 4.6605 7.4098 120.5444 55.2062 29.0398 176.4487 46 F 6.2003 8.8808 118.7549 57.9020 41.5008 173.2135 47 V 3.8199 7.6571 111.5054 61.8428 32.8616 175.5638 48 T 4.9665 8.7566 117.3717 59.4354 69.7219 172.7655 49 L 4.7027 8.6357 128.9991 54.0027 43.8955 176.0047 50 R 4.9105 8.4044 121.1646 55.8062 28.2621 175.5907 51 V 4.3570 8.0163 123.5002 61.9882 33.6927 174.1877 52 S 5.2456 8.4812 119.3480 56.0557 65.6591 173.4599 53 A 4.1063 8.6918 124.5301 53.7159 19.0339 177.5172 54 K 4.2652 9.1093 126.0305 57.9228 31.7486 178.4785 55 G 3.7575 7.5789 104.3793 47.7092 0.0000 175.4864 56 M 4.2406 8.0003 120.7312 58.4578 32.3712 178.4156 57 R 3.9398 8.1063 118.2686 59.2329 29.9823 179.3022 58 V 3.6224 7.3347 116.7793 65.9940 31.7495 177.7921 59 I 3.7606 7.6438 119.0020 64.6855 36.8028 177.7072 60 D 4.5893 8.0982 116.5376 55.5729 40.5868 177.0119 61 K 4.3596 7.0952 117.2028 57.9906 33.7716 177.7873 62 K 4.1971 8.6105 118.3461 59.4156 32.2917 175.9991 63 G 3.9583 7.4241 104.5238 44.8309 0.0000 174.3350 64 I 3.4047 8.6147 127.4815 64.9537 36.9420 177.9390 65 D 4.4127 7.8705 118.7406 57.3723 40.8254 178.8007 66 T 3.8604 7.5817 115.9523 66.2437 68.5329 176.9063 67 V 3.5926 9.1505 120.3501 66.0710 31.4489 178.2237 68 L 3.5981 8.1582 118.3634 56.7228 41.0248 179.3644 69 A 3.8940 7.7292 121.0504 56.4251 19.0608 178.7249 70 E 4.3307 8.3036 124.5193 54.7016 30.6149 176.9111 71 L 3.7458 9.2049 122.5201 56.9919 42.8619 176.3106 72 R 4.0228 6.9355 115.9480 59.3197 29.5971 178.9576 73 A 4.0128 7.9344 121.3413 54.9717 18.5660 179.1053 74 R 4.2404 7.7935 110.6705 56.3622 30.0038 176.8131 75 G 3.7758 8.0818 107.7427 46.4798 0.0000 173.5953 76 E 4.4201 8.1501 121.3016 54.4346 31.4396 179.3818 77 K 4.3644 8.0888 119.9555 56.3932 31.8029 176.2974 78 Y 3.9744 8.7342 118.3861 57.8954 39.5079 168.7849 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 2 S 8.19 4.35 0.00 3.91 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 3 R 7.95 3.51 0.00 1.96 2.01 0.00 3.20 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 4 V 7.38 4.17 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 0.68 0.00 0.00 0.95 0.00 0.00 5 C 8.42 3.94 0.00 3.01 3.07 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 0.00 0.00 0.00 0.00 6 Q 8.39 4.11 0.00 2.40 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.54 0.00 7 V 7.79 3.80 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 0.85 0.00 0.00 0.93 0.00 0.00 8 T 7.77 4.34 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 9 G 8.34 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 0.00 0.00 0.00 10 K 7.75 3.80 0.00 1.82 1.81 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.43 7.81 11 R 8.26 4.62 0.00 1.80 1.87 0.00 3.21 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 1.56 1.84 0.00 12 P 0.00 4.84 0.00 2.10 2.11 0.00 3.38 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 13 V 8.50 4.25 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 0.84 0.00 0.00 1.02 0.00 0.00 14 T 8.05 4.71 4.30 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 0.00 0.00 0.00 1.25 0.00 0.00 15 G 7.79 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 0.00 0.00 0.00 0.00 16 N 8.83 5.59 0.00 2.71 2.69 0.00 0.00 6.79 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 17 N 9.62 4.24 0.00 2.67 2.87 0.00 0.00 7.09 8.14 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 18 R 7.88 4.16 0.00 1.88 2.24 0.00 3.09 0.00 0.00 3.94 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 19 S 7.33 4.32 0.00 4.06 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 20 H 8.60 3.90 0.00 3.25 3.27 0.00 5.98 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.27 3.60 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 22 L 7.13 3.61 0.00 1.83 1.71 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.76 4.76 0.00 2.67 2.75 0.00 0.00 6.98 7.21 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 24 A 8.60 4.48 1.23 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 0.00 0.00 25 T 8.41 4.44 4.23 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 1.20 0.00 0.00 26 K 8.67 4.61 0.00 1.63 1.77 0.00 2.15 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.42 7.81 27 R 8.20 4.36 0.00 1.58 1.46 0.00 2.21 0.00 0.00 2.61 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.52 0.00 28 R 7.64 4.55 0.00 1.94 1.88 0.00 2.94 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.48 0.00 29 F 9.36 4.78 0.00 2.94 3.05 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 30 L 8.30 4.29 0.00 1.77 1.68 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.45 0.00 2.07 2.11 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 32 N 8.48 4.41 0.00 2.67 2.85 0.00 0.00 7.00 7.78 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 33 L 7.47 4.06 0.00 1.72 1.60 0.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.86 4.49 0.00 3.10 3.23 0.00 5.85 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 35 S 8.10 4.23 0.00 4.10 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 36 H 8.08 4.57 0.00 3.06 2.57 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.56 4.14 0.00 1.32 1.39 0.00 2.21 0.00 0.00 2.58 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.26 0.00 38 F 8.47 4.92 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.38 5.59 0.00 3.65 3.22 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 40 V 8.45 3.33 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 0.90 0.00 0.00 0.65 0.00 0.00 41 E 5.90 2.00 0.00 1.66 1.52 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 2.61 2.44 0.00 42 S 7.74 3.96 0.00 3.94 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 43 E 7.91 3.85 0.00 1.98 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 0.00 2.36 2.29 0.00 44 K 7.76 3.60 0.00 1.79 1.86 0.00 1.91 0.00 0.00 1.59 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.48 7.81 45 R 7.41 4.66 0.00 1.82 1.18 0.00 3.44 0.00 0.00 3.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 46 F 8.88 6.20 0.00 3.22 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 47 V 7.66 3.82 2.39 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 0.94 0.00 0.00 1.14 0.00 0.00 48 T 8.76 4.97 4.10 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 1.18 0.00 0.00 49 L 8.64 4.70 0.00 1.88 2.00 1.21 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.40 4.91 0.00 1.88 1.93 0.00 3.24 0.00 0.00 3.17 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 51 V 8.02 4.36 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 1.16 0.00 0.00 1.31 0.00 0.00 52 S 8.48 5.25 0.00 3.93 3.95 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 53 A 8.69 4.11 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 54 K 9.11 4.27 0.00 1.95 1.92 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.37 7.81 55 G 7.58 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 56 M 8.00 4.24 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.95 0.00 57 R 8.11 3.94 0.00 2.05 2.01 0.00 3.14 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 58 V 7.33 3.62 2.20 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 0.99 0.00 0.00 0.98 0.00 0.00 59 I 7.64 3.76 1.70 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.91 0.34 0.00 0.00 60 D 8.10 4.59 0.00 2.66 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 K 7.10 4.36 0.00 1.86 1.98 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.42 7.81 62 K 8.61 4.20 0.00 1.72 1.79 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.42 7.81 63 G 7.42 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 64 I 8.61 3.40 1.75 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.23 0.64 0.00 0.00 65 D 7.87 4.41 0.00 2.62 2.65 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 0.00 0.00 0.00 0.00 66 T 7.58 3.86 4.18 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 0.00 0.00 0.00 1.17 0.00 0.00 67 V 9.15 3.59 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 0.85 0.00 0.00 0.81 0.00 0.00 68 L 8.16 3.60 0.00 1.44 1.08 0.77 -0.22 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 69 A 7.73 3.89 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 70 E 8.30 4.33 0.00 2.13 1.72 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 2.30 2.47 0.00 71 L 9.20 3.75 0.00 1.81 1.42 1.17 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 72 R 6.94 4.02 0.00 2.19 2.62 0.00 2.89 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.73 0.00 73 A 7.93 4.01 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 74 R 7.79 4.24 0.00 1.99 2.06 0.00 3.34 0.00 0.00 3.24 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.71 0.00 75 G 8.08 3.78 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 0.00 0.00 0.00 76 E 8.15 4.42 0.00 1.94 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 2.38 2.35 0.00 77 K 8.09 4.36 0.00 1.95 1.56 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.60 7.81 78 Y 8.73 3.97 0.00 3.10 3.05 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