NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 4.2157 8.0431 114.0722 62.0442 33.3083 174.0912 12 G 3.9650 9.1250 110.3139 44.3949 0.0000 175.0855 13 K 4.0407 8.8805 119.9204 59.9002 33.8025 176.3778 14 Y 4.0921 8.0248 116.5797 58.9392 38.5843 177.0566 15 G 3.9581 7.7914 105.9917 44.9735 0.0000 173.4819 16 T 3.9253 8.4410 112.9995 64.6268 67.6840 175.6046 17 R 4.1989 7.7169 119.5481 56.1414 31.4225 175.8517 18 Y 3.4480 8.1142 114.6039 57.7789 35.8427 170.9798 19 G 4.0453 7.8514 104.0391 45.7483 0.0000 174.5035 20 A 3.9326 8.4634 121.7042 54.9812 18.4599 180.2540 21 S 4.0088 7.9267 111.0936 61.5282 62.5891 176.1757 22 L 3.8945 7.7461 121.1284 57.8088 41.4457 179.3885 23 R 3.7268 7.5851 118.6496 59.1792 29.9862 178.6568 24 K 3.9545 8.6721 119.0339 59.7473 32.0983 179.0285 25 M 4.0103 8.0534 118.4519 58.5311 32.0534 178.3770 26 V 3.6661 7.8042 118.5163 65.8557 31.6808 178.1431 27 K 4.0008 8.2202 118.2252 59.4501 31.9394 179.4500 28 K 4.0168 8.1439 118.9597 59.3829 31.9569 179.4755 29 I 3.7793 8.3185 113.7553 64.2462 37.4348 178.2268 30 E 4.1352 8.6054 120.6908 58.8392 29.3277 179.4069 31 I 3.7863 8.3930 120.4173 64.6335 37.0344 178.4854 32 S 4.2758 8.0933 112.4358 61.1664 62.2464 175.5701 33 Q 4.6892 8.1306 123.3048 59.2612 28.9633 177.8467 34 H 4.4624 8.6865 115.9515 57.4820 29.0302 176.0967 35 A 4.2683 7.2560 122.5352 51.6364 18.8567 177.3127 36 K 4.3155 8.3773 119.3390 56.7704 32.9651 176.3842 37 Y 4.4743 8.0767 119.8797 56.2868 41.8032 174.4340 38 T 4.7929 8.2691 117.5464 61.0447 67.9835 174.2535 39 C 4.1082 8.9032 124.4941 58.1432 30.9029 175.2285 40 S 4.0309 8.5784 116.8490 62.0141 62.8487 175.9211 41 F 4.0974 8.3361 120.3482 61.1519 40.1057 174.3848 42 C 4.6550 7.8678 125.3560 59.1659 30.6136 175.0678 43 G 4.0971 8.3006 105.3594 44.8310 0.0000 172.5675 44 K 4.4554 8.0280 119.1221 54.6467 34.0941 177.0641 45 T 5.0960 7.7751 112.9421 60.8310 66.9013 175.1464 46 K 4.3600 7.8523 119.7770 58.0732 33.7711 178.0638 47 M 4.7407 8.0713 122.1390 55.5530 33.3073 174.9870 48 K 5.1498 9.6162 125.2412 54.4578 36.6597 175.5332 49 R 3.5829 8.5717 123.5025 55.6008 30.5443 176.3849 50 R 3.8632 8.4662 126.7242 58.9240 30.6295 175.4100 51 A 4.2356 6.7188 117.4714 51.5913 21.7099 174.5500 52 V 3.6915 8.2112 111.0291 62.8544 31.8130 177.0164 53 G 4.2681 8.6792 112.4747 46.3358 0.0000 171.9189 54 I 4.6634 7.0645 120.9664 58.9932 39.7831 174.7825 55 W 5.3457 9.0558 125.8806 55.2700 33.2734 173.9335 56 H 5.4311 9.5054 121.9278 54.8803 33.5685 171.2932 57 C 4.9255 8.5776 125.4020 57.7783 32.4432 174.5938 58 G 3.4809 8.5933 114.4788 49.6579 0.0000 174.6971 59 S 4.2717 8.4794 114.6742 60.4857 61.3978 174.1446 60 C 4.6211 7.8285 111.6385 57.3644 29.9546 173.8930 61 M 3.2509 8.2753 118.1141 56.2490 29.9196 176.6166 62 K 4.1414 7.3613 120.0452 56.8619 33.4676 175.5199 63 T 5.2505 8.5131 123.4984 61.9838 70.6068 173.8256 64 V 4.6755 9.3862 124.9972 61.1191 35.7960 173.6813 65 A 4.8610 8.5519 126.2178 51.2259 20.1842 177.2600 66 G 3.7525 7.7729 107.8297 45.7590 0.0000 172.7423 67 G 3.4724 8.4808 110.1498 44.3976 0.0000 175.0150 68 A 3.9383 7.9406 122.2312 54.8888 18.2769 179.3261 69 W 4.5706 8.1253 112.7394 59.0014 28.9916 176.1844 70 T 4.6336 6.6166 113.3302 61.1854 72.0576 174.0977 71 Y 2.3900 6.9404 123.7474 59.2178 38.8777 175.4306 72 N 4.8320 7.7421 116.2404 51.4343 41.6562 173.7501 73 T 4.6375 7.8773 114.9746 59.9031 72.3049 175.7647 74 T 3.9185 8.3623 112.1505 65.3924 68.8187 176.7801 75 S 3.9520 8.1396 117.4603 60.6933 62.4217 176.2689 76 A 3.9564 8.1994 124.2165 55.0529 18.2136 179.8203 77 V 3.5467 7.5259 116.8275 66.4444 31.6496 178.1832 78 T 3.9540 7.4646 112.4978 65.2594 66.9557 176.4646 79 V 3.6547 7.7402 113.4074 64.2320 31.5993 178.3721 80 K 4.0951 7.4584 116.2143 59.4979 32.0165 179.0535 81 S 4.2083 7.6525 110.2757 59.4933 62.4964 173.6655 82 A 4.0919 7.5781 127.5060 53.1028 20.3429 175.8327 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 11 V 8.04 4.22 2.25 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 1.10 0.00 0.00 0.99 0.00 0.00 12 G 9.13 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 13 K 8.88 4.04 0.00 1.77 1.91 0.00 1.38 0.00 0.00 1.59 0.00 0.00 2.44 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.03 7.81 14 Y 8.02 4.09 0.00 3.09 3.26 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 15 G 7.79 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 16 T 8.44 3.93 4.26 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 1.22 0.00 0.00 17 R 7.72 4.20 0.00 1.82 1.45 0.00 3.17 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 18 Y 8.11 3.45 0.00 2.93 2.94 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 19 G 7.85 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 0.00 0.00 0.00 0.00 20 A 8.46 3.93 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 21 S 7.93 4.01 0.00 3.88 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 22 L 7.75 3.89 0.00 1.62 1.48 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.59 3.73 0.00 1.65 2.07 0.00 3.14 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 1.63 1.70 0.00 24 K 8.67 3.95 0.00 1.93 1.83 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.64 7.81 25 M 8.05 4.01 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 26 V 7.80 3.67 2.31 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 1.18 0.00 0.00 1.09 0.00 0.00 27 K 8.22 4.00 0.00 2.11 1.87 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.66 7.81 28 K 8.14 4.02 0.00 1.98 1.87 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.66 7.81 29 I 8.32 3.78 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.87 0.78 0.00 0.00 30 E 8.61 4.14 0.00 2.23 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 0.00 2.42 2.70 0.00 31 I 8.39 3.79 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.43 0.97 0.00 0.00 32 S 8.09 4.28 0.00 4.02 4.12 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 33 Q 8.13 4.69 0.00 2.50 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 34 H 8.69 4.46 0.00 3.38 3.45 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.26 4.27 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 36 K 8.38 4.32 0.00 1.73 1.81 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.51 7.81 37 Y 8.08 4.47 0.00 3.12 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 4.79 4.16 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 1.11 0.00 0.00 39 C 8.90 4.11 0.00 2.98 2.99 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 40 S 8.58 4.03 0.00 3.99 4.03 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 41 F 8.34 4.10 0.00 3.03 3.15 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 0.00 0.00 0.00 42 C 7.87 4.65 0.00 3.12 2.73 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 43 G 8.30 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.03 4.46 0.00 1.73 1.73 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.44 7.81 45 T 7.78 5.10 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 1.16 0.00 0.00 46 K 7.85 4.36 0.00 1.75 2.00 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.45 7.81 47 M 8.07 4.74 0.00 2.16 1.84 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.08 2.45 0.00 48 K 9.62 5.15 0.00 1.74 1.72 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.57 7.81 49 R 8.57 3.58 0.00 0.76 1.47 0.00 3.00 0.00 0.00 2.93 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 50 R 8.47 3.86 0.00 1.71 1.78 0.00 3.30 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 51 A 6.72 4.24 1.11 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 0.00 0.00 52 V 8.21 3.69 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 0.66 0.00 0.00 0.86 0.00 0.00 53 G 8.68 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 0.00 0.00 0.00 54 I 7.06 4.66 1.74 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 1.28 0.97 0.84 0.00 0.00 55 W 9.06 5.35 0.00 3.44 3.30 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 56 H 9.51 5.43 0.00 3.18 3.11 0.00 5.56 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 57 C 8.58 4.93 0.00 3.05 2.81 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 G 8.59 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.48 4.27 0.00 3.86 3.88 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 60 C 7.83 4.62 0.00 3.04 3.11 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 61 M 8.28 3.25 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 62 K 7.36 4.14 0.00 1.90 1.73 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.65 7.81 63 T 8.51 5.25 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 1.30 0.00 0.00 64 V 9.39 4.68 2.45 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 0.94 0.00 0.00 1.17 0.00 0.00 65 A 8.55 4.86 1.17 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 0.00 0.00 0.00 66 G 7.77 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 67 G 8.48 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.94 3.94 1.42 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 69 W 8.13 4.57 0.00 3.62 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.62 4.63 4.07 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 0.00 0.00 0.00 1.22 0.00 0.00 71 Y 6.94 2.39 0.00 1.43 2.24 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 0.00 72 N 7.74 4.83 0.00 2.81 2.68 0.00 0.00 6.83 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 73 T 7.88 4.64 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 0.75 0.00 0.00 74 T 8.36 3.92 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 1.32 0.00 0.00 75 S 8.14 3.95 0.00 3.92 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 76 A 8.20 3.96 1.32 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 0.00 0.00 0.00 77 V 7.53 3.55 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 0.99 0.00 0.00 0.98 0.00 0.00 78 T 7.46 3.95 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 79 V 7.74 3.65 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 0.82 0.00 0.00 1.00 0.00 0.00 80 K 7.46 4.10 0.00 1.90 1.87 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.58 7.81 81 S 7.65 4.21 0.00 3.93 3.89 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 0.00 0.00 0.00 0.00 82 A 7.58 4.09 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