NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4895 8.1627 118.3321 55.3134 33.4790 173.6025 2 Q 4.8395 8.3855 121.1784 53.2259 31.2652 172.7100 3 I 5.0907 9.3130 118.9279 59.3747 42.2590 173.2154 4 F 5.1805 9.3646 121.5681 55.7580 42.0763 174.9520 5 V 4.7891 8.7610 121.9154 61.2347 34.3148 174.1622 6 K 5.1445 9.0955 128.4268 55.2524 34.2952 176.5803 7 T 5.0771 8.4870 114.9649 59.3003 71.1464 175.6974 8 L 4.1592 8.6612 121.2233 56.8978 41.6110 178.2741 9 T 4.1864 7.6843 107.5929 61.5643 69.5605 175.5663 10 G 4.0164 8.1120 110.2876 44.7479 0.0000 173.0811 11 K 4.3113 7.9997 122.2876 55.9667 33.4844 175.5230 12 T 5.1253 8.5862 123.7985 61.9422 70.8174 173.4476 13 I 4.4874 8.8170 127.5576 59.8277 39.9970 174.7072 14 T 4.3146 8.3411 123.0904 61.9472 69.6410 173.8721 15 L 4.7479 8.4670 125.7459 52.7111 46.3456 175.0494 16 E 4.8448 8.5656 121.0654 54.9602 30.6362 175.1009 17 V 4.6290 9.2325 120.3263 60.1015 36.7008 174.1618 18 E 4.8314 10.0469 121.9812 53.8607 32.4423 176.1013 19 P 4.2845 0.0000 0.0000 65.6591 31.6579 178.1142 20 S 4.4494 7.8760 112.6080 59.0314 63.5007 174.0531 21 D 4.5256 7.7055 121.8517 54.1631 41.5333 176.1139 22 T 4.7205 8.1682 113.1642 61.2044 71.4179 176.0049 23 I 3.7548 8.5266 123.6256 64.6034 37.1019 178.4588 24 E 3.9393 8.1835 119.7502 59.3979 29.6260 178.5201 25 N 4.4082 7.9352 116.7184 56.0538 38.5511 177.6535 26 V 3.6301 7.6577 119.6169 65.7344 31.6167 178.2760 27 K 4.2727 8.5621 119.5679 58.9843 31.9251 179.1850 28 A 4.0332 8.0023 120.9413 55.0340 18.0819 179.8994 29 K 3.9546 7.8863 116.8005 59.6798 32.0816 179.6853 30 I 3.7369 7.8367 120.2150 64.0777 36.9773 178.2300 31 Q 4.1356 8.0747 121.7988 58.9738 28.7729 178.2034 32 D 4.4197 7.8748 118.1762 57.0981 40.8143 178.6632 33 K 4.1759 7.6045 118.2018 58.2469 32.3497 177.7478 34 E 4.5549 8.8615 116.5221 59.1735 30.9720 176.3305 35 G 3.6312 7.0709 105.4602 45.2591 0.0000 173.5185 36 I 4.2615 7.6655 121.7140 58.8552 38.6831 173.5298 37 P 4.4357 0.0000 0.0000 61.8059 32.1789 175.7784 38 P 4.3225 0.0000 0.0000 65.7308 31.4289 178.2104 39 D 4.3943 8.1102 117.8616 56.7144 41.1170 176.6296 40 Q 4.6544 8.1018 116.4031 55.7721 30.0460 175.2387 41 Q 4.8527 7.8496 119.4549 54.8016 30.9572 174.9680 42 R 4.6916 8.7120 121.4788 54.4100 34.1212 174.1427 43 L 5.0377 8.5579 123.7235 53.2578 43.8308 175.3673 44 I 4.9637 8.8927 125.2625 59.4477 40.3462 174.6199 45 F 4.8636 9.1071 127.2666 56.9116 43.3477 173.8502 46 A 3.5297 8.5195 124.5805 52.8889 16.0608 178.1691 47 G 3.8466 8.2137 104.7100 46.8727 0.0000 173.9336 48 K 4.5002 8.8385 122.2783 54.1254 34.0695 174.7310 49 Q 4.3945 8.4550 127.4507 55.8575 29.7651 175.0973 50 L 3.7055 8.4503 126.9142 54.1320 42.8735 176.0659 51 E 4.5237 10.2239 123.8921 55.1026 30.5518 177.1892 52 D 3.8536 9.2408 124.6167 57.4309 41.0234 178.0641 53 G 3.8031 8.0676 105.2382 46.3787 0.0000 173.5782 54 R 4.4864 8.8187 121.0431 54.8759 32.2142 175.6020 55 T 4.9630 7.8659 109.4280 59.7348 71.3738 175.5986 56 L 4.0406 8.5529 122.5093 58.2956 42.0056 180.0188 57 S 4.0709 8.2773 112.5775 61.5814 61.9021 175.9509 58 D 4.2280 7.6524 120.6017 56.5318 40.6053 177.1548 59 Y 4.7663 7.6304 116.4352 57.2383 38.6723 175.4430 60 N 4.3776 7.9530 114.6320 54.1046 36.9985 174.5732 61 I 3.6793 7.1506 118.4710 60.9126 37.3693 175.9694 62 Q 4.5943 8.2382 124.4341 53.1042 31.1530 175.1210 63 K 4.1010 8.3981 118.2522 58.6903 32.5908 176.3378 64 E 4.1817 9.3538 118.2982 57.3811 27.8634 175.0501 65 S 4.4903 7.9119 115.3253 58.9622 64.2635 173.5264 66 T 5.0545 8.7902 120.1545 62.3652 69.6535 174.0482 67 L 5.0662 9.0485 127.1500 53.6969 45.0492 175.1471 68 H 5.2689 9.1123 117.6236 54.1421 31.2515 173.4883 69 L 5.1909 8.8553 125.5959 53.3917 44.2392 175.2611 70 V 4.6170 8.7452 125.2952 61.0259 35.5096 174.3045 71 L 4.5900 8.4066 125.2587 53.7196 42.2430 177.0525 72 R 4.2625 9.1706 127.1729 55.2340 28.9541 174.2140 73 L 4.9370 7.9024 122.7026 52.3386 43.2390 177.7332 74 R 4.5430 8.1480 121.1792 55.7255 31.5674 174.1378 75 G 3.9821 8.3183 114.3321 42.7039 0.0000 171.1911 76 G 4.0123 7.9826 110.6826 45.9989 0.0000 171.5267 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 M 8.16 4.49 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 2 Q 8.39 4.84 0.00 2.21 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.09 2.37 0.00 3 I 9.31 5.09 1.90 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 1.17 0.49 0.91 0.00 0.00 4 F 9.36 5.18 0.00 3.05 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 5 V 8.76 4.79 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.94 0.00 0.00 6 K 9.10 5.14 0.00 1.62 1.65 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.38 7.81 7 T 8.49 5.08 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 1.22 0.00 0.00 8 L 8.66 4.16 0.00 1.67 1.78 0.93 0.84 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 9 T 7.68 4.19 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 1.22 0.00 0.00 10 G 8.11 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.00 4.31 0.00 1.83 1.70 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.43 7.81 12 T 8.59 5.13 4.35 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 1.40 0.00 0.00 13 I 8.82 4.49 1.85 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 1.23 0.69 0.88 0.00 0.00 14 T 8.34 4.31 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 0.30 0.00 0.00 15 L 8.47 4.75 0.00 1.46 1.46 0.88 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.57 4.84 0.00 1.91 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 2.29 2.22 0.00 17 V 9.23 4.63 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 0.70 0.00 0.00 0.97 0.00 0.00 18 E 10.05 4.83 0.00 2.10 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 2.20 0.00 19 P 0.00 4.28 0.00 2.19 2.29 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 20 S 7.88 4.45 0.00 3.87 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 21 D 7.71 4.53 0.00 2.96 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.17 4.72 4.42 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 1.21 0.00 0.00 23 I 8.53 3.75 2.06 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 1.84 1.05 0.93 0.00 0.00 24 E 8.18 3.94 0.00 2.09 1.96 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 2.38 2.47 0.00 25 N 7.94 4.41 0.00 2.98 2.85 0.00 0.00 6.62 7.62 0.00 0.00 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 V 7.66 3.63 2.27 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 1.11 0.00 0.00 1.02 0.00 0.00 27 K 8.56 4.27 0.00 2.02 1.84 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.55 7.81 28 A 8.00 4.03 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 29 K 7.89 3.95 0.00 1.96 1.84 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.60 7.81 30 I 7.84 3.74 2.23 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 1.39 0.85 0.94 0.00 0.00 31 Q 8.07 4.14 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 32 D 7.87 4.42 0.00 2.82 2.72 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 33 K 7.60 4.18 0.00 1.91 1.84 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.65 7.81 34 E 8.86 4.55 0.00 1.97 1.96 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 2.24 2.43 0.00 35 G 7.07 3.63 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 0.00 0.00 0.00 36 I 7.67 4.26 1.87 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 1.47 1.16 0.91 0.00 0.00 37 P 0.00 4.44 0.00 2.21 2.18 0.00 3.70 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 2.07 1.95 0.00 38 P 0.00 4.32 0.00 2.24 2.36 0.00 3.69 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 2.07 1.99 0.00 39 D 8.11 4.39 0.00 2.67 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 40 Q 8.10 4.65 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 41 Q 7.85 4.85 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 42 R 8.71 4.69 0.00 1.91 1.78 0.00 3.09 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.56 5.04 0.00 1.56 1.55 0.92 0.76 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 44 I 8.89 4.96 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 1.09 0.61 0.86 0.00 0.00 45 F 9.11 4.86 0.00 3.05 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 46 A 8.52 3.53 1.29 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 0.00 0.00 0.00 47 G 8.21 3.85 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 0.00 0.00 0.00 48 K 8.84 4.50 0.00 1.70 1.67 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.38 7.81 49 Q 8.45 4.39 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 50 L 8.45 3.71 0.00 1.43 1.22 0.77 -0.55 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 51 E 10.22 4.52 0.00 1.97 1.95 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 2.33 2.36 0.00 52 D 9.24 3.85 0.00 2.66 2.93 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 53 G 8.07 3.80 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 0.00 0.00 0.00 54 R 8.82 4.49 0.00 2.09 1.85 0.00 3.15 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.55 0.00 55 T 7.87 4.96 4.43 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 0.00 0.00 1.23 0.00 0.00 56 L 8.55 4.04 0.00 1.73 1.76 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.28 4.07 0.00 3.93 3.81 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 0.00 0.00 0.00 58 D 7.65 4.23 0.00 2.32 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 0.00 0.00 0.00 59 Y 7.63 4.77 0.00 3.08 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.95 4.38 0.00 2.88 2.92 0.00 0.00 6.92 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 61 I 7.15 3.68 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.32 0.74 0.00 0.00 62 Q 8.24 4.59 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 63 K 8.40 4.10 0.00 1.90 1.87 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.54 7.81 64 E 9.35 4.18 0.00 2.16 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 0.00 2.41 2.35 0.00 65 S 7.91 4.49 0.00 3.89 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 66 T 8.79 5.05 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 1.22 0.00 0.00 67 L 9.05 5.07 0.00 1.65 1.68 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.11 5.27 0.00 3.33 3.23 0.00 5.78 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.86 5.19 0.00 1.76 1.52 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.75 4.62 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.94 0.00 0.00 71 L 8.41 4.59 0.00 1.57 1.62 0.92 0.89 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 72 R 9.17 4.26 0.00 1.78 1.87 0.00 3.41 0.00 0.00 3.22 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 73 L 7.90 4.94 0.00 1.67 1.58 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.15 4.54 0.00 1.72 1.78 0.00 3.19 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 75 G 8.32 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 76 G 7.98 4.01 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 0.00