NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2362 0.0000 0.0000 62.7236 33.2808 177.7106 17 S 3.7223 8.1668 110.8251 57.8040 60.8000 170.3363 18 R 4.3377 8.0215 119.4727 55.7510 30.1567 177.4392 19 K 3.9438 7.8094 117.6954 57.0382 32.0833 177.2312 20 A 4.3362 8.5900 121.2781 51.6088 21.2115 174.8801 21 K 3.8946 8.0512 120.2937 57.8414 31.2022 176.5387 22 V 3.7517 8.5321 123.3588 65.3583 31.7482 177.1872 23 K 4.3205 7.9028 120.3427 58.9630 31.9609 177.6265 24 A 4.1667 7.3827 121.2755 55.2449 18.9690 178.8907 25 T 4.2598 7.6311 106.4588 59.2664 66.5397 173.3869 26 L 4.3613 7.0658 126.5566 55.5752 45.0679 173.8595 27 G 4.0985 8.3851 112.7692 44.1351 0.0000 172.6604 28 E 4.1983 8.6525 119.3687 56.2984 29.8499 176.5968 29 F 4.8731 7.8679 117.3806 55.0632 41.0136 174.1221 30 D 4.4361 8.6890 122.3367 53.5603 39.9655 176.7525 31 L 4.2031 8.2251 127.3463 57.0243 41.7695 178.2634 32 R 4.2800 7.8509 117.1978 55.9712 29.8100 175.2872 33 D 4.5030 8.3523 118.6076 53.6889 40.6109 175.2815 34 Y 4.6874 7.9367 125.0346 57.2311 38.1056 176.3071 35 R 4.5582 7.4967 117.0406 56.2515 33.0220 175.7733 36 N 5.4041 7.7112 117.5591 52.2341 37.5420 175.3432 37 V 3.5548 7.8073 123.4621 66.2056 32.1696 177.2314 38 E 4.1486 8.2514 115.8627 57.8157 29.7589 178.0321 39 V 3.7611 8.1516 118.3870 63.3016 33.4461 177.7521 40 L 3.9310 7.9912 120.3160 57.4046 41.7914 179.3517 41 K 3.4288 7.7686 117.3518 59.5698 32.1512 179.0259 42 R 3.7695 7.5224 117.8862 58.6690 30.2088 176.8812 43 F 5.0618 8.9316 116.7443 57.1638 39.0251 174.8515 44 L 5.2149 7.3995 120.5138 52.6991 44.1943 177.9404 45 S 4.5410 8.5108 116.7774 57.9545 64.8337 173.3610 46 E 4.0399 8.8641 118.2389 60.2333 29.4144 177.3854 47 T 4.3656 7.3206 114.2691 62.7129 70.3984 174.7782 48 G 3.9849 8.5354 111.3367 46.1162 0.0000 174.0485 49 K 4.1994 7.7352 120.4838 56.1062 33.2870 176.3948 50 I 4.3150 8.2984 125.7148 61.1024 37.5853 176.1015 51 L 4.2402 8.9913 127.8109 54.0813 42.5027 175.5116 52 P 4.5325 0.0000 0.0000 62.2633 32.3785 177.7849 53 R 4.6499 8.6433 117.4595 58.5557 30.1389 178.9843 54 R 4.1594 7.9942 111.5939 57.5084 29.8081 176.5367 55 R 4.4712 7.7338 116.5538 58.3315 32.4873 177.6905 56 T 4.0105 8.5544 107.5095 62.3812 68.9308 175.8880 57 G 3.9748 8.3450 109.7660 46.0185 0.0000 174.0074 58 L 4.4844 7.4933 119.4418 53.8309 43.4986 176.2469 59 S 4.9354 8.2128 113.3263 57.2923 66.9189 174.3477 60 G 3.7219 8.3577 105.6576 48.1106 0.0000 175.6842 61 K 3.8489 7.9917 120.7749 58.9275 32.4001 178.7910 62 E 3.8545 7.8404 117.4123 59.2859 29.4159 178.7046 63 Q 3.8029 8.5686 119.6375 59.6175 28.7347 179.1602 64 R 3.8702 8.1508 119.3870 59.7067 29.9419 178.5387 65 I 3.8095 7.5572 119.0658 63.7286 37.0408 178.1826 66 L 3.9694 7.9961 121.3920 58.0665 41.9027 178.5119 67 A 3.9272 7.9688 120.6303 55.4347 18.2000 179.3313 68 K 3.7284 7.7523 117.2518 60.0063 32.0324 179.0394 69 T 3.9987 7.6159 115.9488 66.5936 68.5576 176.6888 70 I 3.7201 8.1446 122.0481 64.7814 37.0730 178.6008 71 K 3.8337 8.2661 118.9701 59.3434 31.7659 179.7458 72 R 3.8171 7.5282 117.8603 58.9557 29.9895 178.5965 73 A 4.0510 8.0818 120.6167 55.5154 18.1531 179.7737 74 R 4.5021 7.7612 116.5696 59.0619 30.0773 179.1510 75 I 4.0809 7.2685 118.2986 64.2357 37.1482 178.2158 76 L 4.2165 7.7163 119.4427 56.0472 41.4914 178.1779 77 G 4.1483 7.9246 105.6766 45.2414 0.0000 174.2525 78 L 4.2768 7.7201 119.2169 55.9578 42.4461 176.8495 79 L 4.8420 7.4713 117.5784 51.9581 45.3777 174.1384 80 P 4.9563 0.0000 0.0000 62.4364 32.5481 175.9023 81 F 4.4107 8.7091 116.8926 59.2256 39.9316 176.4018 82 T 4.5241 7.3979 110.6989 61.2800 69.7363 171.7693 83 E 4.8487 8.5764 125.8006 54.1602 33.1716 175.8524 84 K 4.1639 8.3648 120.1178 55.9744 32.9264 176.7099 85 L 4.2269 8.2572 124.8016 53.9427 42.2407 176.8105 86 V 3.9229 8.0988 126.1828 63.0272 33.2712 176.5767 87 R 3.7678 8.5406 118.2234 58.2011 27.1722 176.6425 88 K 4.1860 8.7447 122.2814 57.8226 32.8294 176.5848 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 4.24 0.00 2.24 2.37 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 17 S 8.17 3.72 0.00 4.11 3.99 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 18 R 8.02 4.34 0.00 2.02 1.93 0.00 3.38 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 19 K 7.81 3.94 0.00 1.74 1.66 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 20 A 8.59 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 8.05 3.89 0.00 2.02 1.84 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.58 7.81 22 V 8.53 3.75 2.54 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 0.54 0.00 0.00 1.11 0.00 0.00 23 K 7.90 4.32 0.00 2.00 1.93 0.00 1.91 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.58 7.81 24 A 7.38 4.17 1.36 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 0.00 0.00 25 T 7.63 4.26 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 1.21 0.00 0.00 26 L 7.07 4.36 0.00 1.47 1.57 0.71 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.39 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 0.00 0.00 0.00 0.00 28 E 8.65 4.20 0.00 1.99 1.91 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 2.32 2.37 0.00 29 F 7.87 4.87 0.00 3.12 2.96 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 30 D 8.69 4.44 0.00 2.78 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 31 L 8.23 4.20 0.00 1.59 1.74 0.83 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.85 4.28 0.00 1.77 2.19 0.00 3.27 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 33 D 8.35 4.50 0.00 2.91 2.68 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 0.00 0.00 0.00 0.00 34 Y 7.94 4.69 0.00 3.09 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 35 R 7.50 4.56 0.00 1.59 1.88 0.00 3.14 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.16 0.00 36 N 7.71 5.40 0.00 3.18 2.73 0.00 0.00 7.06 7.59 0.00 0.00 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 7.81 3.55 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 0.97 0.00 0.00 0.96 0.00 0.00 38 E 8.25 4.15 0.00 2.08 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 2.30 2.21 0.00 39 V 8.15 3.76 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 0.74 0.00 0.00 0.20 0.00 0.00 40 L 7.99 3.93 0.00 1.72 1.82 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.77 3.43 0.00 1.74 1.84 0.00 1.63 0.00 0.00 1.54 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.60 7.81 42 R 7.52 3.77 0.00 1.58 1.20 0.00 3.24 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 43 F 8.93 5.06 0.00 3.13 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 44 L 7.40 5.21 0.00 1.71 1.56 0.91 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.51 4.54 0.00 3.96 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 46 E 8.86 4.04 0.00 1.97 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 2.32 2.40 0.00 47 T 7.32 4.37 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 1.31 0.00 0.00 48 G 8.54 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.74 4.20 0.00 1.75 1.76 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.50 7.81 50 I 8.30 4.31 1.87 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 1.35 0.46 0.91 0.00 0.00 51 L 8.99 4.24 0.00 1.62 1.65 1.08 1.09 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 52 P 0.00 4.53 0.00 2.18 1.99 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 53 R 8.64 4.65 0.00 1.85 1.95 0.00 3.59 0.00 0.00 3.41 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.53 0.00 54 R 7.99 4.16 0.00 1.90 2.05 0.00 3.03 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 1.60 1.71 0.00 55 R 7.73 4.47 0.00 2.00 1.98 0.00 3.31 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 56 T 8.55 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 1.22 0.00 0.00 57 G 8.35 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 58 L 7.49 4.48 0.00 1.67 1.65 0.72 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.21 4.94 0.00 3.99 3.90 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 60 G 8.36 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.99 3.85 0.00 1.81 1.80 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.53 7.81 62 E 7.84 3.85 0.00 2.23 1.90 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 2.27 2.28 0.00 63 Q 8.57 3.80 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 64 R 8.15 3.87 0.00 2.03 2.05 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 65 I 7.56 3.81 1.97 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 1.40 0.79 0.92 0.00 0.00 66 L 8.00 3.97 0.00 1.63 1.77 1.08 0.56 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 67 A 7.97 3.93 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 68 K 7.75 3.73 0.00 1.88 2.01 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.56 7.81 69 T 7.62 4.00 4.52 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 1.39 0.00 0.00 70 I 8.14 3.72 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.96 0.87 0.00 0.00 71 K 8.27 3.83 0.00 1.76 1.82 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.60 7.81 72 R 7.53 3.82 0.00 2.12 1.69 0.00 3.12 0.00 0.00 2.77 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.73 0.00 73 A 8.08 4.05 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 74 R 7.76 4.50 0.00 1.45 0.66 0.00 2.72 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 75 I 7.27 4.08 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.74 0.95 0.00 0.00 76 L 7.72 4.22 0.00 1.88 1.78 1.13 1.09 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 77 G 7.92 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 78 L 7.72 4.28 0.00 1.68 1.76 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.47 4.84 0.00 1.58 1.42 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.96 0.00 2.23 2.09 0.00 3.72 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 1.97 2.14 0.00 81 F 8.71 4.41 0.00 2.98 3.19 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 0.00 0.00 0.00 0.00 82 T 7.40 4.52 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 1.27 0.00 0.00 83 E 8.58 4.85 0.00 2.08 1.81 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 2.21 2.31 0.00 84 K 8.36 4.16 0.00 1.75 1.74 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.43 7.81 85 L 8.26 4.23 0.00 1.59 1.59 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.10 3.92 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 0.86 0.00 0.00 0.93 0.00 0.00 87 R 8.54 3.77 0.00 2.03 1.92 0.00 3.46 0.00 0.00 3.15 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 88 K 8.74 4.19 0.00 1.89 1.89 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.41 7.81