NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3845 8.1627 120.6038 55.4898 34.2029 173.5332 2 Q 4.7010 8.3728 127.1913 53.0874 30.8479 172.6734 3 I 4.5148 9.0998 119.9350 59.0558 42.2236 173.4705 4 F 5.4525 8.5725 120.7151 55.7618 42.5764 174.8859 5 V 4.8299 9.2206 121.1788 61.1044 34.4787 173.9418 6 K 5.1383 8.8123 129.8120 54.6430 34.5345 176.1923 7 T 4.7308 8.9071 117.7643 60.1447 69.8672 175.0687 8 L 3.9169 8.5505 123.4287 58.2936 41.8871 177.6427 9 T 4.1856 7.7459 105.2628 61.6663 69.2421 175.0911 10 G 4.0217 8.0887 110.7668 44.8502 0.0000 173.7294 11 K 4.1484 8.1632 122.3040 56.6103 33.2521 175.6306 12 T 5.1348 8.5225 123.5715 61.8908 70.9918 173.5175 13 I 4.5841 8.9734 126.9310 59.8626 40.0555 174.5597 14 T 5.1166 8.5758 122.7303 62.0220 70.4472 173.9514 15 L 4.8462 8.7778 125.0502 52.8551 46.1624 174.9091 16 E 4.9797 8.6748 122.6982 55.0728 30.8034 175.2181 17 V 4.7506 8.7327 119.6447 60.0814 36.6597 174.1059 18 E 4.7234 9.2442 119.7142 54.0106 32.9957 175.9752 19 P 4.2163 0.0000 0.0000 65.5883 31.5622 178.3960 20 S 4.3750 7.8680 110.3994 59.2558 63.9764 174.2641 21 D 4.4139 7.8721 122.6982 54.9203 41.3195 176.3854 22 T 4.6366 8.2262 113.3098 61.3387 71.2898 175.9399 23 I 3.7386 8.6340 123.6396 64.4659 37.0905 178.6223 24 E 3.9512 8.3996 119.6055 59.5754 29.3014 178.8930 25 N 4.2774 8.4924 116.7344 56.5502 38.5673 177.5449 26 V 3.5503 7.8127 119.1755 65.9834 31.5781 178.0572 27 K 4.3816 8.3444 119.3197 58.7928 31.8837 179.0761 28 A 3.9678 8.0780 120.8217 55.2182 18.3874 179.6456 29 K 3.8603 8.1655 117.0223 59.7896 32.0990 179.5354 30 I 3.6864 8.0839 120.1928 64.3740 36.9607 178.0450 31 Q 4.1395 8.4004 120.7241 59.6025 28.6203 178.3247 32 D 4.1154 7.9339 118.3457 57.2150 40.8637 178.7014 33 K 4.1795 7.7734 117.6172 58.6517 32.4346 178.3180 34 E 4.6342 8.4805 115.7447 54.7973 30.9553 176.7039 35 G 3.8722 8.6833 107.5763 46.3253 0.0000 173.2049 36 I 4.2815 7.6075 120.1749 58.5454 38.3973 174.1574 37 P 4.3930 0.0000 0.0000 61.7189 31.9895 175.5286 38 P 4.2151 0.0000 0.0000 65.7801 31.3805 177.8476 39 D 4.5234 7.9833 115.4183 55.1408 39.8995 176.8481 40 Q 4.2651 8.2051 118.5493 56.5286 29.4934 174.7406 41 Q 4.7306 7.7335 118.7218 54.6218 30.7272 174.7522 42 R 4.8703 9.1171 123.5236 54.3909 32.8839 174.7961 43 L 5.2072 8.4828 123.6491 53.1019 44.5959 175.4436 44 I 5.0004 8.8221 123.5931 59.4451 41.0780 174.1164 45 F 5.0771 8.9500 128.4595 56.8175 42.3399 174.6711 46 A 3.5400 9.2641 128.1579 52.8751 15.9667 177.8352 47 G 3.9113 8.3664 107.5434 46.6592 0.0000 174.4482 48 K 4.3998 7.8789 120.6221 54.9497 33.1633 176.0718 49 Q 4.4879 8.5787 123.2238 56.0848 29.4025 175.5507 50 L 4.1701 8.4472 124.1182 53.4803 43.2313 175.9603 51 E 4.4349 9.3677 124.0442 55.2608 30.6998 177.0333 52 D 4.4256 9.2221 124.6262 57.6327 41.0471 178.9313 53 G 3.7528 7.9893 104.7853 46.5555 0.0000 173.7001 54 R 4.3948 8.2592 120.5043 55.3591 30.1516 175.4219 55 T 5.0218 8.2671 109.2578 59.8023 71.0740 175.6978 56 L 4.2177 8.3824 123.2044 58.1997 42.0719 180.3687 57 S 4.1818 8.2761 112.9383 61.1337 63.1589 176.0904 58 D 4.2362 7.8754 120.2709 56.9554 40.5169 176.7878 59 Y 4.5327 7.3592 112.8427 56.7586 38.1609 174.7810 60 N 4.0542 7.8525 117.2699 54.4006 37.9702 174.8325 61 I 3.4873 7.5565 118.0453 60.6166 36.9980 176.0885 62 Q 4.5242 8.1241 124.8039 53.0095 31.1292 175.1454 63 K 3.9548 8.3245 117.6173 59.0207 32.3889 176.7774 64 E 3.5880 9.1574 119.5036 56.7670 28.1130 174.9779 65 S 4.5123 7.7274 115.8279 59.2630 64.2026 173.2361 66 T 5.1427 8.7438 119.3943 62.1720 70.1134 174.1679 67 L 4.9952 9.0515 126.6394 53.7270 44.7570 175.0363 68 H 5.3052 9.3575 117.9452 53.9862 31.8418 172.6218 69 L 5.0133 8.9928 125.4993 53.4090 44.1672 174.9039 70 V 4.5770 8.7663 127.0277 61.0198 33.9565 174.3605 71 L 4.7963 8.4797 127.9641 53.9965 42.5531 177.0444 72 R 4.1695 8.7174 122.4596 56.5445 29.5948 176.6422 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 4.38 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 2 Q 8.37 4.70 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.61 0.00 0.00 0.00 0.00 0.00 1.76 2.18 0.00 3 I 9.10 4.51 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.56 0.75 0.00 0.00 4 F 8.57 5.45 0.00 3.08 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 5 V 9.22 4.83 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 0.92 0.00 0.00 0.93 0.00 0.00 6 K 8.81 5.14 0.00 1.82 1.62 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.34 7.81 7 T 8.91 4.73 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 8.55 3.92 0.00 1.63 1.76 0.92 0.92 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 9 T 7.75 4.19 4.24 0.00 0.00 0.00 0.00 0.00 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 10 G 8.09 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 8.16 4.15 0.00 1.90 1.70 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.43 7.81 12 T 8.52 5.13 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 1.28 0.00 0.00 13 I 8.97 4.58 2.00 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 1.44 0.76 0.98 0.00 0.00 14 T 8.58 5.12 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 1.26 0.00 0.00 15 L 8.78 4.85 0.00 1.47 1.46 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.67 4.98 0.00 1.92 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 2.18 2.34 0.00 17 V 8.73 4.75 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 0.69 0.00 0.00 0.84 0.00 0.00 18 E 9.24 4.72 0.00 1.94 1.76 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 2.18 2.37 0.00 19 P 0.00 4.22 0.00 2.15 2.09 0.00 3.56 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 2.09 2.05 0.00 20 S 7.87 4.37 0.00 3.96 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 21 D 7.87 4.41 0.00 2.85 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 22 T 8.23 4.64 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 1.22 0.00 0.00 23 I 8.63 3.74 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.04 0.90 0.00 0.00 24 E 8.40 3.95 0.00 2.14 2.01 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 2.34 2.51 0.00 25 N 8.49 4.28 0.00 2.92 2.88 0.00 0.00 6.72 7.70 0.00 0.00 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 7.81 3.55 2.19 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 1.09 0.00 0.00 0.96 0.00 0.00 27 K 8.34 4.38 0.00 2.03 1.85 0.00 1.90 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.67 1.47 7.81 28 A 8.08 3.97 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 29 K 8.17 3.86 0.00 2.01 1.87 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.63 7.81 30 I 8.08 3.69 2.13 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 1.41 0.67 0.92 0.00 0.00 31 Q 8.40 4.14 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 32 D 7.93 4.12 0.00 2.85 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 7.77 4.18 0.00 1.87 1.86 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.62 7.81 34 E 8.48 4.63 0.00 1.93 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 2.36 2.43 0.00 35 G 8.68 3.87 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 0.00 0.00 0.00 36 I 7.61 4.28 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.79 0.91 0.00 0.00 37 P 0.00 4.39 0.00 2.32 1.97 0.00 3.78 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.22 0.00 2.17 2.13 0.00 3.59 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 39 D 7.98 4.52 0.00 2.77 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 40 Q 8.21 4.27 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 41 Q 7.73 4.73 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 42 R 9.12 4.87 0.00 1.70 1.82 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 43 L 8.48 5.21 0.00 1.55 1.53 0.90 0.77 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 44 I 8.82 5.00 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.53 0.89 0.00 0.00 45 F 8.95 5.08 0.00 3.00 2.76 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 46 A 9.26 3.54 0.73 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 0.00 0.00 47 G 8.37 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.88 4.40 0.00 1.84 1.81 0.00 1.81 0.00 0.00 1.91 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.51 7.81 49 Q 8.58 4.49 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 50 L 8.45 4.17 0.00 1.38 1.33 0.70 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.37 4.43 0.00 2.07 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 0.00 2.36 2.42 0.00 52 D 9.22 4.43 0.00 2.75 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 4.39 0.00 2.21 1.92 0.00 2.98 0.00 0.00 2.84 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 55 T 8.27 5.02 4.41 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 1.22 0.00 0.00 56 L 8.38 4.22 0.00 1.87 1.70 0.94 0.87 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 57 S 8.28 4.18 0.00 3.99 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 0.00 58 D 7.88 4.24 0.00 2.55 2.33 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 0.00 59 Y 7.36 4.53 0.00 3.03 3.03 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 0.00 0.00 0.00 60 N 7.85 4.05 0.00 2.85 2.94 0.00 0.00 7.13 7.47 0.00 0.00 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 7.56 3.49 1.73 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.19 0.52 0.00 0.00 62 Q 8.12 4.52 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 63 K 8.32 3.95 0.00 1.80 1.80 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.49 7.81 64 E 9.16 3.59 0.00 2.20 2.37 0.00 0.00 0.00 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 2.48 0.00 65 S 7.73 4.51 0.00 3.73 3.84 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 66 T 8.74 5.14 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 1.17 0.00 0.00 67 L 9.05 5.00 0.00 1.75 1.59 0.83 0.69 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 68 H 9.36 5.31 0.00 3.01 3.19 0.00 5.58 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 69 L 8.99 5.01 0.00 1.74 1.53 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.77 4.58 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 0.94 0.00 0.00 0.94 0.00 0.00 71 L 8.48 4.80 0.00 1.57 1.59 0.98 0.97 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 72 R 8.72 4.17 0.00 1.68 1.85 0.00 3.34 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00