NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.1477 0.0000 0.0000 61.7200 33.6574 178.6627 17 S 3.5534 7.1799 115.2841 58.5243 60.4389 171.7364 18 R 3.8606 8.6535 127.6135 56.6746 29.9855 179.5257 19 K 3.6246 8.9047 124.5280 58.0452 35.4384 173.6699 20 A 4.5217 8.1464 123.2762 50.4593 21.1580 176.2764 21 K 4.1972 8.7041 122.6169 56.5422 34.4464 180.9621 22 V 3.9070 8.6001 119.8395 62.0347 29.9954 181.5370 23 K 3.7076 8.8004 112.3368 58.0848 34.8683 174.2083 24 A 4.1619 8.8313 123.5044 55.7000 18.7430 180.2604 25 T 4.2162 7.3769 98.6950 62.3498 68.3482 173.8807 26 L 4.8284 8.1312 121.9139 54.5427 45.5474 174.0974 27 G 4.0829 8.4007 109.0415 45.6816 0.0000 173.7849 28 E 4.1773 8.7513 114.5331 56.1677 26.9378 175.8021 29 F 4.7979 7.3335 116.9688 55.2330 40.6339 176.9109 30 D 4.6618 8.4837 121.0356 52.4329 39.4817 176.1977 31 L 4.4480 8.4879 123.7006 56.1687 42.2719 177.1943 32 R 4.4851 8.2261 116.5956 56.3464 31.7429 175.3677 33 D 4.2989 8.1852 118.0331 54.0695 41.1577 175.3981 34 Y 4.2556 8.2009 125.9416 59.9889 38.2227 176.9752 35 R 3.8856 6.6530 119.8577 57.5806 30.6508 173.8902 36 N 4.1998 9.1069 129.1703 53.5445 39.3063 176.8406 37 V 4.2247 7.9085 130.2776 59.2856 32.4860 177.8861 38 E 3.6793 9.4048 129.7938 57.8976 27.2056 176.0061 39 V 3.2909 8.4123 124.7045 65.7591 31.8259 178.6333 40 L 4.0961 7.7841 122.6365 57.0705 42.0761 179.3633 41 K 4.1776 8.2865 116.5125 58.1345 32.3085 178.4423 42 R 3.9531 8.2327 118.2350 58.9235 30.4271 177.4229 43 F 4.5596 7.8044 118.7807 57.3643 38.2986 175.0928 44 L 5.0633 7.3899 118.9097 52.5693 45.4476 177.4913 45 S 4.4182 8.4129 117.4416 57.7383 63.7677 173.8084 46 E 4.0484 8.6092 120.1885 59.4445 29.7715 177.4505 47 T 4.3382 7.2734 114.8093 63.2359 69.9289 173.8945 48 G 3.9569 8.4992 109.6474 46.4838 0.0000 174.0255 49 K 3.9996 7.9642 119.5326 56.9980 33.3400 176.0488 50 I 4.4255 8.1645 122.8373 60.9338 38.0490 175.9556 51 L 4.3895 8.2296 126.5125 54.0328 42.2629 175.5054 52 P 4.5960 0.0000 0.0000 62.1420 32.7632 177.3651 53 R 3.9732 8.6865 119.1725 59.9396 29.7465 178.8963 54 R 3.9453 8.0588 115.8432 59.0686 30.3720 178.1154 55 R 4.5481 8.8588 116.1598 56.0971 30.9343 177.4311 56 T 4.4771 7.4618 109.0424 61.4793 69.0945 175.4395 57 G 3.8619 7.6713 108.7619 46.9723 0.0000 174.8089 58 L 4.5054 7.5185 122.7713 53.1674 43.0107 177.2727 59 S 4.6978 8.6936 115.5571 57.2440 65.5574 175.3703 60 G 3.9031 8.5716 109.3195 48.0810 0.0000 175.7396 61 K 3.8946 7.9021 120.2782 59.4646 32.7326 177.8482 62 E 3.9054 9.5685 118.6835 59.8123 29.3719 178.9969 63 Q 3.8991 9.4485 119.3373 59.7438 29.0591 179.1476 64 R 3.8535 8.3736 119.6003 59.8021 29.7188 178.4894 65 I 3.7143 7.8132 119.1280 64.2032 37.2323 177.7352 66 L 3.9260 7.9906 120.5761 58.7155 41.6391 178.1204 67 A 3.8417 8.0830 119.6322 55.8672 17.9527 179.3382 68 K 3.8350 7.7655 117.1858 60.1960 32.4534 178.6053 69 T 3.7548 9.5086 115.6607 66.5133 68.0753 176.9476 70 I 3.0883 8.0001 119.0039 62.9377 37.6396 178.3922 71 K 4.2449 7.7784 122.9009 59.8173 32.6598 178.3714 72 R 3.8789 8.4653 118.8047 58.6578 29.9840 178.5796 73 A 4.0306 7.9555 119.5959 55.7603 18.2518 179.4374 74 R 3.7695 7.6751 114.7293 59.6430 30.3671 178.8839 75 I 4.1674 8.1437 119.4331 64.4588 36.9108 179.4655 76 L 4.4455 7.6913 115.5430 54.1773 42.6811 178.1282 77 G 4.1285 8.2915 104.8311 46.9200 0.0000 173.7354 78 L 4.8316 7.5982 115.2206 54.0737 44.6688 177.2114 79 L 4.7922 7.6538 117.4749 51.6306 45.4628 174.2758 80 P 4.4080 0.0000 0.0000 63.0526 31.4988 177.4824 81 F 3.9302 9.1741 121.5784 59.7506 39.2558 175.2541 82 T 4.1956 6.6568 112.3877 61.7543 70.6442 171.5382 83 E 4.8253 8.5169 125.0523 54.0886 33.5612 175.6077 84 K 4.0832 8.4535 120.6405 56.1220 32.5583 177.8576 85 L 4.1485 8.3115 125.8780 54.2687 40.3687 175.3840 86 V 3.5222 7.9054 117.3692 63.0460 31.8432 176.9906 87 R 4.1964 8.8096 120.7729 55.3549 28.8803 175.7661 88 K 3.9586 8.1387 118.4848 57.6046 32.5128 174.1719 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 4.15 0.00 2.19 2.17 0.00 3.73 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 1.89 2.00 0.00 17 S 7.18 3.55 0.00 4.04 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 18 R 8.65 3.86 0.00 1.80 1.58 0.00 3.43 0.00 0.00 3.27 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 19 K 8.90 3.62 0.00 1.92 2.03 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.42 7.81 20 A 8.15 4.52 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 21 K 8.70 4.20 0.00 1.88 1.82 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.62 7.81 22 V 8.60 3.91 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 0.48 0.00 0.00 0.59 0.00 0.00 23 K 8.80 3.71 0.00 1.97 1.97 0.00 1.94 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.43 7.81 24 A 8.83 4.16 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 25 T 7.38 4.22 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 1.23 0.00 0.00 26 L 8.13 4.83 0.00 1.94 1.83 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.40 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.75 4.18 0.00 1.95 1.92 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 2.29 2.31 0.00 29 F 7.33 4.80 0.00 3.05 3.14 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 30 D 8.48 4.66 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.45 0.00 1.67 1.71 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.23 4.49 0.00 1.77 2.22 0.00 3.19 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 33 D 8.19 4.30 0.00 2.76 2.52 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 0.00 34 Y 8.20 4.26 0.00 3.10 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 6.65 3.89 0.00 1.73 1.82 0.00 3.12 0.00 0.00 3.30 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.15 0.00 36 N 9.11 4.20 0.00 2.56 2.83 0.00 0.00 7.43 5.17 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 37 V 7.91 4.22 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 0.77 0.00 0.00 0.92 0.00 0.00 38 E 9.40 3.68 0.00 2.12 1.74 0.00 0.00 0.00 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 2.20 0.00 39 V 8.41 3.29 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 0.70 0.00 0.00 0.11 0.00 0.00 40 L 7.78 4.10 0.00 1.56 1.93 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.29 4.18 0.00 1.87 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.40 7.81 42 R 8.23 3.95 0.00 1.43 1.59 0.00 2.99 0.00 0.00 3.06 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 43 F 7.80 4.56 0.00 3.28 3.08 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 0.00 0.00 0.00 44 L 7.39 5.06 0.00 1.58 1.52 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.41 4.42 0.00 4.00 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 46 E 8.61 4.05 0.00 1.93 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 0.00 2.29 2.40 0.00 47 T 7.27 4.34 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 1.30 0.00 0.00 48 G 8.50 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 49 K 7.96 4.00 0.00 1.73 1.79 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.53 7.81 50 I 8.16 4.43 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.44 0.93 0.00 0.00 51 L 8.23 4.39 0.00 1.62 1.66 0.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.60 0.00 2.24 2.18 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 53 R 8.69 3.97 0.00 1.86 2.07 0.00 3.34 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 54 R 8.06 3.95 0.00 1.79 2.03 0.00 3.19 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 55 R 8.86 4.55 0.00 1.79 1.95 0.00 3.24 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 56 T 7.46 4.48 4.68 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 1.44 0.00 0.00 57 G 7.67 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.52 4.51 0.00 1.75 1.73 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.69 4.70 0.00 4.03 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 0.00 60 G 8.57 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 0.00 0.00 0.00 61 K 7.90 3.89 0.00 1.75 1.83 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.52 7.81 62 E 9.57 3.91 0.00 2.33 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 0.00 2.30 2.33 0.00 63 Q 9.45 3.90 0.00 2.20 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 64 R 8.37 3.85 0.00 2.11 2.04 0.00 3.14 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 1.63 1.69 0.00 65 I 7.81 3.71 1.98 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 1.40 0.83 0.94 0.00 0.00 66 L 7.99 3.93 0.00 1.50 1.71 0.43 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.08 3.84 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 3.83 0.00 1.69 1.98 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 69 T 9.51 3.75 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 1.21 0.00 0.00 70 I 8.00 3.09 2.02 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 1.46 0.59 0.80 0.00 0.00 71 K 7.78 4.24 0.00 1.84 1.79 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.63 7.81 72 R 8.47 3.88 0.00 2.01 1.78 0.00 3.10 0.00 0.00 2.80 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 73 A 7.96 4.03 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 74 R 7.68 3.77 0.00 1.60 0.93 0.00 2.94 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.60 0.00 75 I 8.14 4.17 2.11 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 1.69 0.92 0.94 0.00 0.00 76 L 7.69 4.45 0.00 1.81 1.75 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.29 4.13 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 0.00 78 L 7.60 4.83 0.00 1.75 1.67 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.65 4.79 0.00 1.47 1.46 0.91 1.01 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 80 P 0.00 4.41 0.00 2.25 2.23 0.00 3.70 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 2.08 2.16 0.00 81 F 9.17 3.93 0.00 3.01 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 6.66 4.20 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 1.28 0.00 0.00 83 E 8.52 4.83 0.00 1.95 1.79 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 2.23 2.32 0.00 84 K 8.45 4.08 0.00 1.75 1.76 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.43 7.81 85 L 8.31 4.15 0.00 1.59 1.62 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.91 3.52 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 0.76 0.00 0.00 0.93 0.00 0.00 87 R 8.81 4.20 0.00 1.85 2.31 0.00 3.48 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 88 K 8.14 3.96 0.00 1.72 1.67 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.17 1.25 7.81