NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.2739 8.4449 120.2252 55.3226 30.2892 175.4468 8 P 4.2620 0.0000 0.0000 61.8580 32.0555 173.6532 9 I 4.0377 7.2494 117.0087 60.1991 41.3549 172.8940 10 D 4.4838 8.2510 124.8586 52.4388 39.3207 175.4401 11 P 4.1728 0.0000 0.0000 64.7231 31.6026 177.7636 12 S 4.3691 8.1692 111.6402 59.1458 62.6696 174.5166 13 K 4.5178 7.9093 118.3889 55.9553 31.9925 176.0945 14 L 3.9986 7.4422 121.5996 55.2255 42.5949 175.9996 15 E 4.8107 8.4189 124.3625 55.0634 31.9648 174.9597 16 F 5.2804 8.9291 120.5616 56.0051 42.8261 174.0512 17 A 5.2479 9.3844 121.6899 50.7077 23.4240 174.8626 18 R 5.1762 8.9896 118.3858 54.3221 33.9168 174.2525 19 A 4.4930 9.2255 128.3310 52.2017 18.7947 178.3308 20 L 3.7669 9.1221 123.8601 56.7717 42.4285 176.4664 21 Y 4.9360 7.4691 113.6790 56.0464 42.3944 174.7372 22 D 4.9711 8.9035 120.3805 54.8869 42.0997 176.0906 23 F 5.0500 9.7299 123.6892 56.7791 43.0010 173.1647 24 V 4.1315 8.0601 126.0698 60.1311 32.7333 173.6281 25 P 4.0551 0.0000 0.0000 62.8584 31.5995 176.3817 26 E 4.0499 9.1853 123.5586 57.8474 30.0371 176.0397 27 N 4.7922 7.9125 116.3117 50.6662 39.6956 172.4957 28 P 4.5326 0.0000 0.0000 64.9833 31.8325 178.0082 29 E 4.1026 8.3370 118.2900 58.4594 29.9836 176.9836 30 M 4.6232 8.3409 116.9733 55.0371 34.1022 175.3673 31 E 5.4623 8.6022 117.2251 54.5555 32.3020 175.4357 32 V 4.7107 8.1996 114.0176 59.2863 34.4085 175.8268 33 A 4.4397 8.5864 124.8712 52.3202 19.3721 176.9609 34 L 5.0342 8.8680 119.0272 53.1322 46.5917 175.5793 35 K 5.0792 10.3825 122.6623 54.0550 35.0386 176.0148 36 K 3.9772 8.6110 123.0246 58.6537 32.5019 176.9732 37 G 4.0314 9.2221 111.9918 45.2938 0.0000 173.7930 38 D 4.6058 8.1754 119.6254 54.6933 41.7102 175.6224 39 L 5.3619 8.4023 120.7024 53.8679 44.6591 175.2547 40 M 5.1681 8.9011 117.5266 54.4148 35.2359 173.0149 41 A 4.5092 8.7825 122.5991 50.4010 21.0972 176.4927 42 I 4.0673 8.2596 124.7800 61.1956 36.8415 176.2222 43 L 4.1545 8.7943 129.0387 57.3347 42.4924 177.6350 44 S 4.3796 7.4958 109.5044 57.5326 65.3970 176.1998 45 K 3.8589 8.4781 123.7670 55.8780 32.2980 176.4875 46 K 4.5665 7.5677 119.2891 55.2450 33.4484 175.6817 47 D 4.9318 8.5419 120.6168 51.5633 40.8316 175.5689 48 P 4.5043 0.0000 0.0000 64.4910 31.1494 177.1898 49 L 4.4984 8.1300 116.9686 54.1568 41.9988 177.3152 50 G 3.9689 8.4602 107.0187 45.4391 0.0000 174.4093 51 R 4.3454 8.7439 119.3936 55.3970 31.5032 176.0440 52 D 4.8417 8.5800 121.1658 55.4190 41.6599 175.9023 53 S 4.7765 8.3954 113.9273 57.5240 65.4615 173.6085 54 D 4.6384 9.1909 124.7230 54.5248 41.9641 175.3033 55 W 4.9918 8.7966 119.9294 54.6640 31.3685 175.1734 56 W 5.3773 9.0767 124.4274 54.8000 32.2010 174.7674 57 K 4.1711 8.5532 124.7712 55.9173 32.9393 176.1702 58 V 5.0137 9.3474 120.4756 59.7213 36.9835 174.0541 59 R 5.1334 8.8523 122.2182 55.0432 32.7409 175.3542 60 T 4.6670 8.4823 117.0769 60.1102 71.5107 175.8386 61 K 3.9619 8.1643 120.5799 59.7986 31.8980 178.7909 62 N 4.3801 8.0543 113.3232 54.3078 37.2535 175.6148 63 G 4.0013 8.1857 107.6462 45.0317 0.0000 173.1872 64 N 4.7255 8.3656 117.4746 52.8739 39.9096 174.1824 65 I 4.9518 8.8290 122.9779 58.8973 39.9280 175.5936 66 G 4.0516 7.7213 111.1468 46.9822 0.0000 170.2610 67 Y 5.9822 8.4897 117.3593 56.2773 39.9747 175.4813 68 I 5.0290 8.3760 115.0845 58.2398 42.2506 172.6680 69 P 2.9856 0.0000 0.0000 61.6036 31.4421 177.0099 70 Y 3.2508 7.9167 122.9882 59.7531 37.5131 177.9227 71 N 4.1063 6.4148 113.9398 53.3157 37.6340 174.7455 72 Y 4.4032 8.0822 117.4754 58.3513 38.4410 174.3821 73 I 5.0442 7.1969 112.7061 58.8775 41.4206 174.2887 74 E 4.7106 8.9719 122.4865 54.2804 32.5570 174.6447 75 I 4.4811 8.6065 127.8892 61.4422 38.0569 175.4300 76 I 4.4124 9.0171 128.7992 60.1159 38.2910 176.2704 77 K 4.1988 8.4270 124.4782 57.0850 32.6671 175.9296 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 7 E 8.44 4.27 0.00 1.96 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 2.21 2.34 0.00 8 P 0.00 4.26 0.00 2.10 1.99 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 9 I 7.25 4.04 1.82 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 1.41 0.33 0.86 0.00 0.00 10 D 8.25 4.48 0.00 2.93 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 11 P 0.00 4.17 0.00 2.20 2.17 0.00 3.58 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 12 S 8.17 4.37 0.00 3.83 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 13 K 7.91 4.52 0.00 1.83 1.77 0.00 1.87 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.58 7.81 14 L 7.44 4.00 0.00 1.64 1.63 0.75 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.42 4.81 0.00 1.89 1.86 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 2.34 2.29 0.00 16 F 8.93 5.28 0.00 2.99 2.99 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 0.00 0.00 0.00 17 A 9.38 5.25 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 18 R 8.99 5.18 0.00 1.86 1.72 0.00 3.09 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 19 A 9.23 4.49 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 20 L 9.12 3.77 0.00 0.77 0.32 0.82 0.43 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 21 Y 7.47 4.94 0.00 2.72 2.79 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 22 D 8.90 4.97 0.00 2.70 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 23 F 9.73 5.05 0.00 3.00 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 24 V 8.06 4.13 1.94 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 0.73 0.00 0.00 0.88 0.00 0.00 25 P 0.00 4.06 0.00 1.97 2.07 0.00 3.50 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.02 0.00 26 E 9.19 4.05 0.00 1.92 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 2.36 2.48 0.00 27 N 7.91 4.79 0.00 2.58 2.69 0.00 0.00 7.25 7.71 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 28 P 0.00 4.53 0.00 2.07 2.08 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 29 E 8.34 4.10 0.00 1.92 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 0.00 2.29 2.34 0.00 30 M 8.34 4.62 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 31 E 8.60 5.46 0.00 2.04 2.43 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 2.18 2.38 0.00 32 V 8.20 4.71 2.18 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 0.73 0.00 0.00 1.09 0.00 0.00 33 A 8.59 4.44 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.87 5.03 0.00 1.84 1.65 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 35 K 10.38 5.08 0.00 1.60 1.72 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.56 7.81 36 K 8.61 3.98 0.00 1.76 1.73 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.31 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.52 1.71 7.81 37 G 9.22 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.18 4.61 0.00 2.66 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 39 L 8.40 5.36 0.00 1.65 1.66 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 M 8.90 5.17 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 41 A 8.78 4.51 0.92 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 0.00 0.00 42 I 8.26 4.07 1.75 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 0.76 0.00 0.00 43 L 8.79 4.15 0.00 1.54 1.63 0.86 0.73 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 44 S 7.50 4.38 0.00 3.76 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 45 K 8.48 3.86 0.00 1.26 0.82 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.30 0.60 7.81 46 K 7.57 4.57 0.00 1.83 1.70 0.00 1.92 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.50 7.81 47 D 8.54 4.93 0.00 2.82 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 48 P 0.00 4.50 0.00 2.05 2.21 0.00 3.49 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.10 0.00 49 L 8.13 4.50 0.00 1.73 1.66 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.46 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 0.00 0.00 0.00 51 R 8.74 4.35 0.00 2.29 1.88 0.00 3.15 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 52 D 8.58 4.84 0.00 2.59 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 53 S 8.40 4.78 0.00 4.00 4.21 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 0.00 0.00 0.00 0.00 54 D 9.19 4.64 0.00 2.81 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 55 W 8.80 4.99 0.00 3.16 3.36 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 0.00 56 W 9.08 5.38 0.00 3.35 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 57 K 8.55 4.17 0.00 1.15 1.41 0.00 1.48 0.00 0.00 1.46 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.16 0.80 7.81 58 V 9.35 5.01 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 0.89 0.00 0.00 1.02 0.00 0.00 59 R 8.85 5.13 0.00 1.80 1.72 0.00 3.07 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 60 T 8.48 4.67 4.29 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 1.28 0.00 0.00 61 K 8.16 3.96 0.00 1.66 1.95 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.53 1.66 7.81 62 N 8.05 4.38 0.00 2.85 2.97 0.00 0.00 6.29 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.37 4.73 0.00 2.87 2.78 0.00 0.00 6.84 6.83 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 65 I 8.83 4.95 1.88 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 1.27 0.58 0.93 0.00 0.00 66 G 7.72 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 0.00 0.00 0.00 67 Y 8.49 5.98 0.00 3.33 3.26 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 68 I 8.38 5.03 1.60 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 1.38 0.91 1.12 0.00 0.00 69 P 0.00 2.99 0.00 1.24 0.75 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 70 Y 7.92 3.25 0.00 1.43 2.14 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 71 N 6.41 4.11 0.00 2.42 1.89 0.00 0.00 5.98 7.55 0.00 0.00 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 Y 8.08 4.40 0.00 2.82 3.01 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 0.00 0.00 0.00 73 I 7.20 5.04 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.65 0.91 0.00 0.00 74 E 8.97 4.71 0.00 1.97 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 2.20 2.26 0.00 75 I 8.61 4.48 1.98 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.90 1.00 0.00 0.00 76 I 9.02 4.41 1.96 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 1.32 0.58 0.92 0.00 0.00 77 K 8.43 4.20 0.00 1.82 1.75 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.41 7.81