NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4612 8.5004 122.9782 52.1220 19.8619 175.9175 2 A 4.6276 8.4835 124.6108 48.5767 22.1706 173.3464 3 P 4.4157 0.0000 0.0000 63.0739 33.3104 174.7616 4 L 4.7074 8.4207 123.1474 54.2236 42.5722 177.0821 5 V 3.5628 8.4027 122.8753 63.4623 32.0204 175.3245 6 A 4.6326 8.8685 130.2137 50.7728 20.0408 178.3595 7 E 4.1904 8.8543 121.4290 59.1395 29.7216 178.1812 8 T 4.3252 7.8030 106.6784 62.0843 69.7637 175.3698 9 D 4.5110 8.1203 123.7779 54.2492 42.7072 176.9002 10 A 4.0507 8.6501 125.4168 55.4851 18.1445 180.0248 11 N 4.3561 8.2414 114.8112 55.8113 37.4151 177.2849 12 A 4.3941 8.1571 122.7024 55.2259 18.7525 179.5250 13 K 4.0177 8.5029 117.4145 59.7797 31.8853 179.5164 14 S 4.2590 8.1959 112.4980 60.4580 62.5517 174.6599 15 L 4.5154 7.6685 118.3937 53.5518 41.7951 176.7377 16 G 4.4513 8.0697 105.5710 45.5367 0.0000 173.7324 17 Y 4.4699 8.2586 120.3834 57.3789 39.5702 175.6407 18 V 4.2898 7.9975 119.1222 59.2749 35.2447 176.5652 19 A 3.8942 8.8468 125.6528 53.5782 18.6957 177.3648 20 D 4.6554 7.5069 115.2731 52.3417 43.7230 175.5889 21 T 3.7288 9.0736 123.2849 65.2373 67.4082 175.2201 22 T 4.1821 8.1279 108.9895 62.1677 68.6909 174.8609 23 K 4.3987 7.9535 119.6657 55.9599 33.2083 176.2493 24 A 3.9396 7.3349 121.9623 52.1249 18.6925 178.8427 25 D 4.5649 8.4333 119.7292 53.3815 40.0909 177.1758 26 K 4.1264 8.1706 126.0002 58.6459 32.0471 178.9782 27 T 3.9086 7.7935 115.6022 66.4070 68.6313 176.2677 28 K 4.0038 8.0790 120.3932 57.7891 33.6105 176.4694 29 Y 4.8648 7.7507 117.2823 55.1271 37.7732 174.2083 30 P 4.6314 0.0000 0.0000 64.0179 31.9936 178.2716 31 K 4.3143 7.9721 116.9554 56.7588 32.6085 176.3957 32 H 4.3967 8.1692 119.1931 55.8114 30.3727 174.1541 33 T 4.3965 7.1115 113.3472 59.5248 71.7274 174.3028 34 K 4.0035 8.1800 121.5698 57.5907 32.2967 177.3932 35 D 4.3593 7.5145 117.1056 56.9002 40.7087 176.2561 36 Q 3.4920 7.5227 120.1550 54.1961 29.3127 175.0916 37 S 4.8558 8.7247 116.5419 57.1477 66.6471 174.8837 38 C 4.1773 9.0162 118.6936 62.8842 27.8474 176.9228 39 S 4.0062 8.0457 113.8220 60.6439 62.5408 175.0663 40 T 4.5830 8.0427 109.1900 61.2849 68.9204 173.4768 41 C 4.0896 8.0733 122.9599 58.0690 32.5619 174.5584 42 A 3.9948 8.3741 129.6363 54.5924 18.1159 178.6936 43 L 4.2419 7.6234 114.3462 56.3120 42.3784 176.8153 44 Y 4.3494 7.6178 120.3605 58.0330 38.9864 175.6109 45 Q 4.3193 8.3687 124.8484 55.7043 29.8396 176.4932 46 G 3.4507 5.5727 106.6769 44.8756 0.0000 175.6767 47 K 3.6303 7.1763 120.1200 58.0925 31.2075 176.8314 48 T 4.3103 8.7825 117.8054 62.7349 69.0819 174.6344 49 A 4.2727 8.0349 126.6658 51.6983 19.0266 176.4610 50 P 4.6230 0.0000 0.0000 64.5600 32.4345 175.6521 51 Q 5.1064 7.2666 117.6249 55.5014 31.9932 173.7477 52 G 3.9783 8.5926 106.6951 46.0205 0.0000 172.2143 53 A 4.7218 7.8194 121.0306 51.8157 20.2183 176.2376 54 C 5.1853 8.4454 119.0301 56.8356 34.6574 173.4185 55 P 4.2888 0.0000 0.0000 65.3921 31.0213 177.2024 56 L 3.9954 7.7299 117.0552 55.7430 42.2133 176.9870 57 F 4.6141 7.9681 117.7805 54.5832 39.2014 173.3421 58 A 4.0588 8.0424 126.4599 53.1174 18.9679 178.6260 59 G 3.9492 9.0114 109.3613 45.5776 0.0000 172.5468 60 K 4.9301 7.5144 116.1823 54.7795 36.6750 175.0035 61 E 4.9309 8.9405 118.4927 55.1441 33.8535 175.9868 62 V 4.4722 8.9266 115.3160 59.7150 35.1318 175.0666 63 V 4.3902 8.5176 122.4647 62.1489 32.2653 176.9371 64 A 3.7787 9.0162 129.9702 54.9682 19.1554 179.2622 65 K 4.0089 8.2699 113.6094 58.3220 33.4670 178.0293 66 G 3.9249 8.2735 108.6438 46.2441 0.0000 172.1658 67 W 5.1811 8.3610 126.6725 56.9231 34.8008 173.4482 68 C 4.5587 7.1622 118.5166 56.4082 32.5857 174.6874 69 S 3.2360 8.3575 113.7452 60.3797 61.8801 174.5673 70 A 4.1840 7.5314 120.7508 51.8324 18.5015 176.6119 71 W 4.1740 7.3366 126.3455 57.9842 31.3410 175.0802 72 A 4.2998 7.5166 128.3115 49.3637 20.8295 175.1297 73 K 3.5028 7.8855 124.3046 56.2614 32.8879 177.0288 74 K 3.9827 8.4345 126.5282 55.9971 32.8155 176.8555 75 A 4.1355 8.4185 124.1304 52.5876 18.2645 177.4183 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 1 A 8.50 4.46 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 2 A 8.48 4.63 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 3 P 0.00 4.42 0.00 2.08 2.00 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 2.12 2.14 0.00 4 L 8.42 4.71 0.00 1.54 1.61 0.95 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 5 V 8.40 3.56 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.37 0.00 0.00 6 A 8.87 4.63 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 7 E 8.85 4.19 0.00 2.03 2.11 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 2.56 2.41 0.00 8 T 7.80 4.33 4.28 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 1.24 0.00 0.00 9 D 8.12 4.51 0.00 2.88 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 10 A 8.65 4.05 1.34 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 11 N 8.24 4.36 0.00 2.87 3.06 0.00 0.00 6.11 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.16 4.39 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 13 K 8.50 4.02 0.00 2.01 1.96 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.75 7.81 14 S 8.20 4.26 0.00 4.02 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 15 L 7.67 4.52 0.00 1.95 1.65 0.74 0.74 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 16 G 8.07 4.45 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 0.00 17 Y 8.26 4.47 0.00 2.97 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 18 V 8.00 4.29 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 0.79 0.00 0.00 0.96 0.00 0.00 19 A 8.85 3.89 1.26 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 0.00 0.00 20 D 7.51 4.66 0.00 2.60 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.07 3.73 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 1.17 0.00 0.00 22 T 8.13 4.18 4.17 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 0.00 0.00 0.00 1.18 0.00 0.00 23 K 7.95 4.40 0.00 1.78 1.76 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.28 7.81 24 A 7.33 3.94 0.42 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 25 D 8.43 4.56 0.00 2.84 2.78 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 26 K 8.17 4.13 0.00 1.75 1.77 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.32 7.81 27 T 7.79 3.91 4.33 0.00 0.00 0.00 0.00 0.00 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 28 K 8.08 4.00 0.00 1.58 1.17 0.00 1.30 0.00 0.00 1.45 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 1.10 7.81 29 Y 7.75 4.86 0.00 2.99 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 30 P 0.00 4.63 0.00 2.19 2.18 0.00 3.45 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 31 K 7.97 4.31 0.00 1.90 1.98 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.49 7.81 32 H 8.17 4.40 0.00 2.48 3.10 0.00 5.74 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.11 4.40 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 1.08 0.00 0.00 34 K 8.18 4.00 0.00 1.60 1.72 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.36 7.81 35 D 7.51 4.36 0.00 2.56 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.52 3.49 0.00 1.61 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.55 0.00 0.00 0.00 0.00 0.00 1.16 1.46 0.00 37 S 8.72 4.86 0.00 4.18 3.92 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 38 C 9.02 4.18 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.05 4.01 0.00 3.99 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 40 T 8.04 4.58 4.55 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 0.00 0.00 0.00 1.33 0.00 0.00 41 C 8.07 4.09 0.00 3.19 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 42 A 8.37 3.99 1.19 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 0.00 0.00 43 L 7.62 4.24 0.00 1.64 1.73 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.62 4.35 0.00 2.89 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 45 Q 8.37 4.32 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 46 G 5.57 3.45 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 0.00 47 K 7.18 3.63 0.00 1.88 0.93 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.34 7.81 48 T 8.78 4.31 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 1.25 0.00 0.00 49 A 8.03 4.27 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 50 P 0.00 4.62 0.00 2.17 2.34 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 51 Q 7.27 5.11 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 52 G 8.59 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 53 A 7.82 4.72 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 54 C 8.45 5.19 0.00 3.18 2.97 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 55 P 0.00 4.29 0.00 2.17 2.14 0.00 3.87 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 56 L 7.73 4.00 0.00 1.16 1.15 0.80 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.97 4.61 0.00 3.06 2.82 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 0.00 0.00 0.00 58 A 8.04 4.06 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 59 G 9.01 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 0.00 0.00 0.00 60 K 7.51 4.93 0.00 1.66 1.78 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.58 7.81 61 E 8.94 4.93 0.00 1.90 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 2.23 2.26 0.00 62 V 8.93 4.47 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 0.33 0.00 0.00 1.23 0.00 0.00 63 V 8.52 4.39 2.26 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 0.94 0.00 0.00 0.99 0.00 0.00 64 A 9.02 3.78 1.25 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 0.00 0.00 65 K 8.27 4.01 0.00 1.70 1.83 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.43 7.81 66 G 8.27 3.92 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 0.00 67 W 8.36 5.18 0.00 3.30 2.88 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 68 C 7.16 4.56 0.00 3.14 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.36 3.24 0.00 3.29 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.53 4.18 1.19 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 0.00 0.00 71 W 7.34 4.17 0.00 3.00 3.20 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 0.00 0.00 0.00 0.00 72 A 7.52 4.30 1.01 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 0.00 0.00 73 K 7.89 3.50 0.00 1.74 1.63 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.59 7.81 74 K 8.43 3.98 0.00 1.76 1.69 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.33 7.81 75 A 8.42 4.14 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