NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.3701 0.0000 0.0000 62.6525 32.9219 177.8772 17 S 4.5690 8.8631 119.5565 58.2631 62.1293 173.6669 18 R 4.5052 8.3155 121.4906 54.3567 29.6774 175.7879 19 K 4.5711 7.7671 114.8612 56.1635 37.8100 175.6909 20 A 4.3373 7.4822 118.0953 50.2819 21.6894 173.4110 21 K 3.7838 7.8437 121.0049 56.2950 32.4510 175.4616 22 V 4.4776 8.1070 124.8646 63.5268 32.0987 177.9058 23 K 3.9754 8.2051 119.7635 59.0902 32.1384 176.8835 24 A 4.3867 7.8774 118.9630 52.5213 18.3367 178.1708 25 T 3.8063 7.5525 115.0323 64.5932 69.0106 174.0953 26 L 4.8742 7.3928 124.6372 53.2942 45.4995 177.4323 27 G 3.9595 8.3779 115.5624 46.4982 0.0000 174.5157 28 E 3.7971 8.0228 126.8661 55.6362 28.6366 176.3994 29 F 5.2391 8.5490 128.3182 56.2669 42.1688 173.4221 30 D 4.5532 8.7388 127.3333 53.2151 41.6671 175.3798 31 L 4.0890 8.1774 126.5045 55.1210 42.1951 177.6812 32 R 4.7007 8.2172 115.8903 55.0398 30.7232 174.2337 33 D 3.8170 7.2372 124.0207 52.9212 43.0181 175.4787 34 Y 5.4289 7.6242 121.7379 58.5302 37.0275 174.9785 35 R 4.2743 7.3006 118.2685 56.4893 30.4854 176.6531 36 N 5.6994 7.8821 114.3824 53.8421 38.6877 176.4175 37 V 3.4979 7.5436 121.7615 66.0883 32.8453 176.9789 38 E 3.8781 8.3954 118.1007 59.8144 28.8403 179.0886 39 V 3.4147 8.1517 119.1631 64.0461 31.9806 177.6339 40 L 4.7596 8.4716 119.0307 58.1519 41.4632 179.6281 41 K 4.0167 8.0030 116.0203 58.4097 32.3289 177.1729 42 R 4.2871 8.4894 118.7731 55.7941 30.0645 177.3166 43 F 4.9065 8.0694 117.4981 56.3430 40.5240 176.4338 44 L 4.3091 8.3912 122.9816 55.6025 42.2010 177.2057 45 S 3.4839 7.8295 113.6744 59.4038 62.1991 170.4363 46 E 4.1082 8.1250 115.2370 58.7588 30.5490 177.3480 47 T 5.0826 7.6078 116.7892 68.0221 67.3408 176.1350 48 G 4.4297 7.4067 103.4022 46.3857 0.0000 173.9596 49 K 4.2058 7.7848 124.0705 56.3181 32.7119 177.2379 50 I 4.2795 7.8644 120.5449 59.4356 37.2014 173.2538 51 L 4.1599 8.5706 128.0956 53.0300 41.7996 174.9673 52 P 4.1615 0.0000 0.0000 61.4254 32.8608 177.2921 53 R 3.8994 8.9020 118.0835 58.7327 29.9738 179.2046 54 R 3.8383 7.8054 115.8901 58.4353 30.8978 175.3870 55 R 4.8786 9.2600 116.1366 58.7041 37.7400 177.2052 56 T 4.1369 8.7527 107.6991 62.8779 68.9167 174.9473 57 G 3.8050 7.8546 109.7989 46.2949 0.0000 173.2832 58 L 4.3917 7.5582 122.0672 52.7654 42.1532 176.9245 59 S 4.1334 8.6364 119.1775 57.3463 64.1301 175.6738 60 G 3.9258 8.8760 107.3540 48.1675 0.0000 175.2924 61 K 3.8264 8.1764 122.1382 60.0835 31.9546 177.3514 62 E 3.9192 8.6112 118.6233 58.5499 29.1481 178.9421 63 Q 3.9072 8.0052 116.3172 59.6967 29.2103 179.9227 64 R 3.9025 8.0524 118.7449 59.4839 30.1230 179.1966 65 I 3.7153 7.9950 112.7869 63.7107 37.7346 177.8225 66 L 3.7790 8.1060 122.0091 59.3456 39.9230 178.3910 67 A 3.8865 8.3115 121.3558 53.9965 17.9973 179.4635 68 K 4.0043 8.6599 115.8621 59.6068 32.7593 179.0502 69 T 3.9059 8.4899 115.9969 67.1375 68.2036 177.4890 70 I 3.5824 7.7712 121.2929 64.7556 37.3626 177.3775 71 K 3.8669 8.7594 119.7458 59.0439 31.7407 179.3990 72 R 3.8584 8.8222 117.9917 59.5207 30.3352 178.8054 73 A 4.0661 8.5806 120.7788 55.4312 18.2590 179.7679 74 R 4.0758 8.1165 115.4404 59.6376 30.3299 178.0319 75 I 3.4853 8.2941 115.0239 64.2040 37.1337 176.9709 76 L 3.8899 6.8120 125.1579 59.2764 42.5444 178.6298 77 G 3.6193 8.8203 103.2722 45.1915 0.0000 171.8161 78 L 3.4274 8.0653 114.9869 54.1227 38.0087 176.5676 79 L 5.3841 7.3415 128.7767 54.9446 41.0828 172.8976 80 P 3.6380 0.0000 0.0000 65.4689 31.6736 177.5986 81 F 3.6665 7.9973 111.6737 57.2008 36.3842 175.4828 82 T 3.6940 8.0595 118.8845 62.3833 68.0697 170.2053 83 E 5.1242 8.6485 125.4973 55.6447 31.9964 175.7690 84 K 4.1625 8.3370 123.1310 56.1580 32.7298 175.4230 85 L 4.3385 8.3615 125.1633 53.5393 42.8949 175.8051 86 V 3.9564 9.1029 126.5197 63.5232 31.5197 173.2705 87 R 4.3274 9.6704 133.2326 57.3125 27.1111 173.9570 88 K 5.1935 6.7189 123.1606 55.4597 32.8074 174.5112 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 16 P 0.00 4.37 0.00 2.06 1.17 0.00 3.62 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 1.93 2.08 0.00 17 S 8.86 4.57 0.00 3.90 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 18 R 8.32 4.51 0.00 1.84 1.88 0.00 3.43 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 19 K 7.77 4.57 0.00 1.69 1.78 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.44 7.81 20 A 7.48 4.34 1.22 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 21 K 7.84 3.78 0.00 1.85 1.80 0.00 1.91 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.48 7.81 22 V 8.11 4.48 2.23 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 0.50 0.00 0.00 1.09 0.00 0.00 23 K 8.21 3.98 0.00 2.13 1.88 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.52 7.81 24 A 7.88 4.39 1.28 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 0.00 0.00 0.00 0.00 0.00 25 T 7.55 3.81 4.11 0.00 0.00 0.00 0.00 0.00 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 26 L 7.39 4.87 0.00 1.38 1.33 0.83 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.38 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 28 E 8.02 3.80 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 2.35 2.34 0.00 29 F 8.55 5.24 0.00 3.07 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.74 4.55 0.00 2.60 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.18 4.09 0.00 1.50 1.48 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.22 4.70 0.00 2.02 1.81 0.00 3.25 0.00 0.00 3.10 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 33 D 7.24 3.82 0.00 2.27 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 0.00 0.00 0.00 0.00 34 Y 7.62 5.43 0.00 3.29 3.25 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 0.00 35 R 7.30 4.27 0.00 1.94 2.07 0.00 3.27 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.19 0.00 36 N 7.88 5.70 0.00 2.97 2.88 0.00 0.00 6.78 7.81 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 37 V 7.54 3.50 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 1.05 0.00 0.00 1.02 0.00 0.00 38 E 8.40 3.88 0.00 2.15 2.23 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 2.36 2.33 0.00 39 V 8.15 3.41 2.19 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 0.47 0.00 0.00 0.47 0.00 0.00 40 L 8.47 4.76 0.00 1.86 1.88 1.06 0.88 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 41 K 8.00 4.02 0.00 2.00 1.89 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.58 7.81 42 R 8.49 4.29 0.00 0.94 1.23 0.00 2.96 0.00 0.00 2.92 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.56 0.00 43 F 8.07 4.91 0.00 3.14 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 44 L 8.39 4.31 0.00 1.91 1.98 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.83 3.48 0.00 4.15 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 46 E 8.13 4.11 0.00 1.97 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 2.28 2.39 0.00 47 T 7.61 5.08 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 1.29 0.00 0.00 48 G 7.41 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.78 4.21 0.00 1.82 1.85 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.64 7.81 50 I 7.86 4.28 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 0.92 0.00 0.00 51 L 8.57 4.16 0.00 1.73 1.86 1.11 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.16 0.00 2.20 2.24 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 53 R 8.90 3.90 0.00 1.87 2.05 0.00 3.62 0.00 0.00 3.39 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 54 R 7.81 3.84 0.00 1.76 2.02 0.00 3.33 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 55 R 9.26 4.88 0.00 1.86 1.92 0.00 3.36 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 56 T 8.75 4.14 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 1.56 0.00 0.00 57 G 7.85 3.80 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 0.00 0.00 0.00 58 L 7.56 4.39 0.00 1.83 1.61 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.64 4.13 0.00 3.99 4.05 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 60 G 8.88 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.18 3.83 0.00 1.86 1.83 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.61 7.81 62 E 8.61 3.92 0.00 2.23 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 2.33 2.37 0.00 63 Q 8.01 3.91 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 64 R 8.05 3.90 0.00 2.00 1.96 0.00 3.11 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 65 I 8.00 3.72 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.61 0.88 0.00 0.00 66 L 8.11 3.78 0.00 1.69 1.83 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.31 3.89 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 68 K 8.66 4.00 0.00 1.86 1.95 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.59 7.81 69 T 8.49 3.91 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 1.34 0.00 0.00 70 I 7.77 3.58 2.04 0.00 0.00 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 1.47 0.80 0.96 0.00 0.00 71 K 8.76 3.87 0.00 1.99 1.78 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.51 7.81 72 R 8.82 3.86 0.00 2.02 2.03 0.00 3.17 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.02 0.00 73 A 8.58 4.07 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.08 0.00 2.15 2.64 0.00 3.72 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.06 0.00 75 I 8.29 3.49 2.07 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 1.44 0.67 0.91 0.00 0.00 76 L 6.81 3.89 0.00 1.61 1.73 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.82 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.07 3.43 0.00 1.83 1.78 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.34 5.38 0.00 1.86 1.88 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 3.64 0.00 2.35 2.18 0.00 3.73 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 1.98 1.96 0.00 81 F 8.00 3.67 0.00 3.06 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.06 3.69 4.36 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 0.00 0.00 0.00 1.39 0.00 0.00 83 E 8.65 5.12 0.00 2.10 1.77 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 2.11 2.17 0.00 84 K 8.34 4.16 0.00 1.80 1.76 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.44 7.81 85 L 8.36 4.34 0.00 1.59 1.58 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 86 V 9.10 3.96 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 0.83 0.00 0.00 0.93 0.00 0.00 87 R 9.67 4.33 0.00 1.90 2.11 0.00 3.31 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.35 0.00 88 K 6.72 5.19 0.00 1.80 1.78 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.49 7.81