NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4682 8.3349 115.3026 57.7137 63.6453 173.3897 8 D 4.6284 8.6824 127.5255 53.4211 41.9237 174.6554 9 F 5.3673 8.8530 116.0218 55.5059 42.2146 173.5693 10 V 4.5258 8.6505 111.9074 59.5308 35.4598 174.8117 11 V 4.7976 8.5315 123.4767 61.2651 34.1230 174.4721 12 I 4.8056 8.7489 127.9432 59.4166 40.5658 174.0960 13 K 5.0099 9.1768 129.1650 54.1466 34.6049 174.9926 14 A 4.3411 8.8538 130.3969 52.1307 19.1411 177.3075 15 L 4.7659 8.6836 122.7317 54.1395 42.4155 176.0296 16 E 4.6982 7.5435 115.2033 55.5566 31.6391 174.9599 17 D 4.4562 8.5631 119.7365 55.4023 41.4310 176.5071 18 G 3.8183 8.9330 109.7612 46.5230 0.0000 174.1637 19 V 3.9808 7.6114 119.0656 62.5503 33.1686 174.3195 20 N 5.3560 9.1930 123.8728 51.4327 41.7459 173.6222 21 V 4.4273 8.8986 124.5654 61.4911 33.3446 174.1238 22 I 4.7813 9.1665 130.5224 59.3394 39.7721 175.1492 23 G 4.3588 8.4762 113.5276 44.4616 0.0000 172.0532 24 L 5.5302 8.6078 123.4600 52.8184 44.0326 176.1752 25 T 4.6513 8.4402 114.5922 61.7022 69.3617 174.4584 26 R 4.2328 7.6891 126.2206 56.8867 31.0476 175.0954 27 G 3.7631 8.7804 108.6467 44.1109 0.0000 172.9482 28 A 4.0860 8.6124 120.5340 54.6898 18.6046 178.0511 29 D 4.8143 7.8384 114.2594 53.5283 42.3325 175.8253 30 T 4.8212 8.2400 118.5736 61.8632 71.3745 173.3815 31 R 4.6111 8.4986 121.7783 54.5788 33.6196 174.2816 32 F 5.1388 8.5805 119.5391 58.3068 38.8572 175.0443 33 H 4.9335 9.1258 119.4560 56.2084 30.0490 174.3538 34 H 4.6981 7.5754 117.2931 55.2567 33.2799 172.2541 35 S 4.4780 8.0176 118.8096 56.4605 64.8779 172.4011 36 E 4.3815 8.7837 129.7333 55.1143 30.8069 174.6886 37 K 4.9205 8.6057 128.4642 55.2002 33.8870 175.2552 38 L 4.9645 8.8467 127.2058 53.1430 44.8816 175.9570 39 D 4.9754 9.0026 122.7589 52.4954 43.2006 175.7730 40 K 3.9640 8.4624 120.7653 58.7507 32.1862 176.7584 41 G 4.0374 9.4876 115.8552 45.1006 0.0000 173.1389 42 E 4.3952 7.9185 119.4688 55.7619 31.1082 175.6540 43 V 4.8487 8.3035 122.6158 60.9972 34.0371 174.2095 44 L 4.6327 9.0081 130.0958 53.3651 44.3875 174.8662 45 I 4.8518 8.4746 127.2321 59.7483 38.7518 174.7367 46 A 4.7323 8.5596 128.8775 50.0530 21.8597 175.4762 47 Q 4.8129 8.5715 120.6354 54.8521 30.6821 175.5018 48 F 4.6645 8.4284 120.6120 57.7099 39.5703 175.3471 49 T 4.7757 8.7686 113.1558 59.2593 71.8496 173.2759 50 E 4.0001 8.9071 121.1878 59.1392 29.5503 177.0592 51 H 4.6358 8.1775 113.8664 55.8477 30.2038 174.1639 52 T 4.9867 8.3659 117.3424 61.9200 70.3559 174.2270 53 S 4.9628 8.9550 119.0443 57.7241 64.2548 173.1238 54 A 5.0337 7.7683 121.9214 51.0701 22.6178 175.2823 55 I 5.0119 8.5422 120.0722 59.3653 41.1973 174.6633 56 K 4.5572 9.2259 127.7383 54.4910 34.8664 174.6017 57 V 4.8232 8.4554 126.8808 61.0360 33.8046 174.2941 58 R 4.4910 8.9539 128.0856 55.7304 32.7598 175.4216 59 G 3.9029 8.9815 111.1368 44.0293 0.0000 172.2362 60 K 5.0809 9.9861 120.1398 55.3130 32.8916 175.6195 61 A 5.1957 8.7860 128.2284 50.5639 23.4951 173.6486 62 Y 5.1148 9.0328 121.8518 56.0934 40.8541 174.5492 63 I 4.9164 8.6066 127.3468 59.4948 40.7928 174.5631 64 Q 4.9543 8.8879 125.1099 54.3997 32.3785 174.8013 65 T 4.8811 8.8846 113.2584 59.7581 72.2921 174.4901 66 R 3.7545 8.5171 120.2646 59.6313 30.0365 176.8007 67 H 4.6790 7.9825 112.9120 55.3112 29.0637 173.4671 68 G 3.7370 7.2716 106.4657 44.1196 0.0000 173.2456 69 V 4.8178 7.9867 111.8332 60.3638 33.6629 175.8592 70 I 4.5093 8.7055 122.1698 60.1756 41.9021 172.7971 71 E 5.3067 8.8773 128.5583 54.9356 31.1950 175.7370 72 S 4.7439 9.2450 119.4381 57.4841 65.6586 172.9865 73 E 4.7996 8.5105 120.0135 54.1467 32.5400 176.0992 74 G 3.8967 8.9881 112.6354 46.0938 0.0000 172.7102 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 S 8.33 4.47 0.00 3.91 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 8 D 8.68 4.63 0.00 2.87 2.74 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 0.00 0.00 0.00 9 F 8.85 5.37 0.00 3.01 2.98 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 10 V 8.65 4.53 2.00 0.00 0.00 0.00 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 0.82 0.00 0.00 11 V 8.53 4.80 2.15 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 1.05 0.00 0.00 1.12 0.00 0.00 12 I 8.75 4.81 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.41 0.88 0.00 0.00 13 K 9.18 5.01 0.00 1.78 1.76 0.00 1.80 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.41 7.81 14 A 8.85 4.34 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 15 L 8.68 4.77 0.00 1.66 1.71 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.54 4.70 0.00 2.01 1.88 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 2.11 2.25 0.00 17 D 8.56 4.46 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.93 3.82 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 0.00 0.00 0.00 19 V 7.61 3.98 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 0.94 0.00 0.00 1.02 0.00 0.00 20 N 9.19 5.36 0.00 2.54 2.57 0.00 0.00 6.55 7.25 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 21 V 8.90 4.43 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 0.90 0.00 0.00 0.88 0.00 0.00 22 I 9.17 4.78 1.38 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.23 0.22 0.00 0.00 23 G 8.48 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 0.00 0.00 0.00 0.00 24 L 8.61 5.53 0.00 1.96 1.70 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.44 4.65 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 26 R 7.69 4.23 0.00 1.85 1.95 0.00 3.22 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.78 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.61 4.09 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 29 D 7.84 4.81 0.00 2.67 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 30 T 8.24 4.82 4.25 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 1.26 0.00 0.00 31 R 8.50 4.61 0.00 1.75 1.97 0.00 2.81 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 32 F 8.58 5.14 0.00 2.89 2.87 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 0.00 0.00 0.00 33 H 9.13 4.93 0.00 3.13 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.58 4.70 0.00 3.36 3.13 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.02 4.48 0.00 3.71 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.78 4.38 0.00 2.21 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 2.26 2.29 0.00 37 K 8.61 4.92 0.00 1.77 1.66 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.38 7.81 38 L 8.85 4.96 0.00 1.55 1.51 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.00 4.98 0.00 2.61 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 40 K 8.46 3.96 0.00 1.90 1.78 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.59 7.81 41 G 9.49 4.04 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 0.00 0.00 0.00 42 E 7.92 4.40 0.00 1.97 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 2.31 2.36 0.00 43 V 8.30 4.85 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 0.94 0.00 0.00 44 L 9.01 4.63 0.00 1.72 1.45 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.47 4.85 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.73 0.79 0.00 0.00 46 A 8.56 4.73 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.57 4.81 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 48 F 8.43 4.66 0.00 3.05 2.98 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 49 T 8.77 4.78 4.30 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 1.25 0.00 0.00 50 E 8.91 4.00 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.20 0.00 51 H 8.18 4.64 0.00 3.29 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.37 4.99 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 1.32 0.00 0.00 53 S 8.96 4.96 0.00 4.00 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 54 A 7.77 5.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.54 5.01 1.81 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.61 0.83 0.00 0.00 56 K 9.23 4.56 0.00 1.69 1.42 0.00 1.62 0.00 0.00 1.45 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.22 1.32 7.81 57 V 8.46 4.82 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 0.82 0.00 0.00 0.89 0.00 0.00 58 R 8.95 4.49 0.00 1.85 1.68 0.00 3.08 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 59 G 8.98 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 60 K 9.99 5.08 0.00 1.82 1.79 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.43 7.81 61 A 8.79 5.20 1.27 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 0.00 0.00 62 Y 9.03 5.11 0.00 3.01 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 63 I 8.61 4.92 2.03 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 1.18 0.64 0.90 0.00 0.00 64 Q 8.89 4.95 0.00 1.80 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.51 0.00 0.00 0.00 0.00 0.00 2.14 1.76 0.00 65 T 8.88 4.88 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 1.17 0.00 0.00 66 R 8.52 3.75 0.00 1.58 1.73 0.00 3.18 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 67 H 7.98 4.68 0.00 3.19 3.26 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.27 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.99 4.82 2.22 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 0.79 0.00 0.00 1.06 0.00 0.00 70 I 8.71 4.51 1.90 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 1.26 1.15 0.92 0.00 0.00 71 E 8.88 5.31 0.00 1.93 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 2.34 2.32 0.00 72 S 9.25 4.74 0.00 3.85 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 73 E 8.51 4.80 0.00 1.82 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 2.21 2.29 0.00 74 G 8.99 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 0.00 0.00 0.00