NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3339 8.1593 117.3731 62.5667 69.9366 173.3620 2 P 4.3186 0.0000 0.0000 62.0290 32.6799 174.0122 3 D 4.2723 8.9187 121.9317 55.6956 41.4472 176.4256 4 C 4.8545 8.7960 119.3398 57.5499 45.7891 174.0158 5 V 4.7083 7.3402 110.2110 59.9141 36.2068 173.7893 6 T 4.9596 8.3520 118.6684 61.6983 72.0426 173.7632 7 G 3.9143 8.1208 111.4702 46.4069 0.0000 172.5108 8 K 4.7200 8.5360 118.6651 54.9802 32.8480 177.5862 9 V 3.9660 8.0079 120.6039 61.9145 30.7607 175.1082 10 E 4.2938 8.6853 129.9504 59.1933 29.8758 176.1690 11 Y 4.9832 7.1215 114.8125 56.4874 41.0824 172.9098 12 T 5.0343 8.6147 109.5190 59.8576 72.4038 173.1667 13 K 4.5115 8.4804 123.3237 54.9073 35.8019 174.4255 14 Y 4.4103 8.8511 129.2716 57.6900 39.5351 174.4526 15 N 4.9826 8.4350 124.1486 51.4588 41.1397 175.7841 16 D 4.4994 8.8324 119.6498 56.6926 41.4950 176.1961 17 D 4.8446 7.9868 117.3741 53.2790 39.8138 175.8604 18 D 4.0000 7.9270 116.4720 56.1702 39.1744 173.9110 19 T 4.5460 7.5311 109.6195 60.7737 71.5492 173.1153 20 F 5.0803 8.6471 123.2844 56.9148 42.3629 173.6322 21 T 5.2983 8.6940 123.4787 62.3375 71.0249 174.2094 22 V 4.7212 8.6492 122.7822 60.0101 35.6201 173.6938 23 K 4.6459 8.4943 124.8915 54.6346 34.3713 174.9164 24 V 4.4041 7.9589 126.8476 61.6085 34.6014 175.2419 25 G 3.7009 8.7807 116.1861 47.2963 0.0000 173.5123 26 D 4.8313 8.6577 123.6812 52.8970 40.1567 176.0924 27 K 4.7740 7.8343 118.8971 55.1483 35.6015 174.6355 28 E 4.8791 8.9473 125.7114 55.0452 31.1320 174.8270 29 L 5.6243 9.0594 126.2110 53.0538 46.7161 175.2717 30 F 5.7018 9.1996 114.8046 55.5325 41.8638 173.7433 31 T 4.4341 9.0279 114.0723 58.9576 70.0640 173.9326 32 N 4.8294 8.8292 124.7284 53.4644 37.8580 174.8013 33 R 4.3393 7.6062 120.3282 55.4462 30.8687 177.4935 34 W 4.2634 8.9752 123.9777 59.7896 28.9504 178.0005 35 N 4.3507 8.4774 115.2587 56.6177 38.2389 176.6136 36 L 4.2998 7.8377 119.1332 56.5270 41.7700 179.0582 37 Q 2.9372 7.8636 119.2233 58.8249 28.7412 178.9467 38 S 4.2295 7.7640 113.9023 60.5723 63.2880 176.2910 39 L 3.8374 7.7249 122.8166 57.7717 41.5238 178.9741 40 L 4.2852 8.6590 119.3025 57.9200 41.5487 179.4245 41 L 4.1836 8.1398 120.3138 58.2796 42.0097 179.2397 42 S 4.2069 8.2214 114.9657 61.2864 62.8504 176.4571 43 A 4.1086 8.4829 124.1072 55.0002 18.0675 179.5408 44 Q 3.9430 8.0915 118.0611 59.5724 29.0305 178.4930 45 I 3.8061 8.0425 120.1118 64.0832 37.2524 177.6313 46 T 4.4053 7.8864 107.6980 61.0606 69.1241 175.4316 47 G 3.9173 7.7811 109.2062 46.4770 0.0000 173.8936 48 M 4.2525 7.7335 118.7766 55.8787 33.5702 175.5083 49 T 4.8935 8.1961 117.1480 62.5422 70.3354 174.5302 50 V 4.8101 8.8066 119.8886 59.7367 35.6620 174.8016 51 T 4.8807 8.2684 118.4116 61.9364 71.9650 173.0629 52 I 4.4763 8.2838 127.3876 59.6358 39.3209 174.7358 53 K 4.8900 8.2088 126.7262 55.1646 33.2920 175.7572 54 T 4.5613 7.9838 118.1428 61.3323 70.2828 173.3985 55 N 4.4528 9.0493 123.4380 54.7627 39.3710 175.8397 56 A 4.4999 7.8884 124.3761 50.9942 18.1560 177.0866 57 C 4.7907 7.5682 125.8628 54.1096 42.6529 171.5328 58 H 5.0261 7.1654 117.4458 53.5087 31.7147 173.4796 59 N 4.7673 8.5794 118.1591 55.0539 38.6938 175.9478 60 G 4.0563 9.2848 111.7526 45.0351 0.0000 173.7825 61 G 3.9927 7.5711 107.3264 44.9693 0.0000 173.7430 62 G 3.7773 8.4560 108.3949 45.1564 0.0000 172.8166 63 F 5.2311 8.1760 115.3056 55.6184 41.3145 175.0163 64 S 4.5901 8.8143 110.8953 57.3486 64.7917 173.3131 65 E 4.7768 8.2584 121.7438 54.7821 31.4425 175.0537 66 V 4.7278 8.3356 123.1382 61.1552 35.2659 174.0626 67 I 4.4303 8.3482 127.5074 59.4658 39.9318 174.3528 68 F 4.9949 8.8836 125.5647 55.9089 40.6714 176.0235 69 R 4.3461 8.6423 122.4317 56.2317 30.5041 175.9701 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 T 8.16 4.33 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 2 P 0.00 4.32 0.00 2.17 2.16 0.00 3.70 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 2.05 0.00 3 D 8.92 4.27 0.00 2.53 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 4 C 8.80 4.85 0.00 2.89 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 5 V 7.34 4.71 1.98 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 0.78 0.00 0.00 0.77 0.00 0.00 6 T 8.35 4.96 4.19 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 1.20 0.00 0.00 7 G 8.12 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 8 K 8.54 4.72 0.00 1.76 1.76 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.38 7.81 9 V 8.01 3.97 2.12 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 0.80 0.00 0.00 0.96 0.00 0.00 10 E 8.69 4.29 0.00 1.97 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 2.46 2.31 0.00 11 Y 7.12 4.98 0.00 3.02 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 12 T 8.61 5.03 3.59 0.00 0.00 0.00 0.00 0.00 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 K 8.48 4.51 0.00 1.79 1.63 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.39 7.81 14 Y 8.85 4.41 0.00 3.27 2.96 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 15 N 8.43 4.98 0.00 2.75 2.64 0.00 0.00 6.23 8.70 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 16 D 8.83 4.50 0.00 2.65 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 17 D 7.99 4.84 0.00 2.85 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 18 D 7.93 4.00 0.00 3.14 2.62 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 0.00 0.00 0.00 0.00 19 T 7.53 4.55 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 1.44 0.00 0.00 20 F 8.65 5.08 0.00 2.90 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 21 T 8.69 5.30 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 22 V 8.65 4.72 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 0.60 0.00 0.00 0.95 0.00 0.00 23 K 8.49 4.65 0.00 0.86 0.74 0.00 1.42 0.00 0.00 1.45 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.20 1.16 7.81 24 V 7.96 4.40 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 0.78 0.00 0.00 0.78 0.00 0.00 25 G 8.78 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.66 4.83 0.00 2.76 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 27 K 7.83 4.77 0.00 1.62 1.66 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.44 7.81 28 E 8.95 4.88 0.00 2.11 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 2.26 2.28 0.00 29 L 9.06 5.62 0.00 1.68 1.86 0.70 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.20 5.70 0.00 3.19 3.09 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 0.00 0.00 0.00 0.00 31 T 9.03 4.43 2.69 0.00 0.00 0.00 0.00 0.00 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 32 N 8.83 4.83 0.00 2.95 3.03 0.00 0.00 6.25 7.66 0.00 0.00 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 R 7.61 4.34 0.00 1.84 1.92 0.00 3.25 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 34 W 8.98 4.26 0.00 3.37 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 35 N 8.48 4.35 0.00 2.73 2.95 0.00 0.00 6.94 7.85 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 36 L 7.84 4.30 0.00 1.87 1.85 1.00 1.18 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 37 Q 7.86 2.94 0.00 1.92 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 1.51 2.16 0.00 38 S 7.76 4.23 0.00 4.00 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 39 L 7.72 3.84 0.00 1.88 1.31 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.66 4.29 0.00 2.16 2.10 1.40 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.14 4.18 0.00 1.94 1.72 1.14 1.11 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 42 S 8.22 4.21 0.00 4.13 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 43 A 8.48 4.11 1.64 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 0.00 0.00 44 Q 8.09 3.94 0.00 2.26 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 45 I 8.04 3.81 1.91 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 1.62 0.79 0.93 0.00 0.00 46 T 7.89 4.41 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 1.24 0.00 0.00 47 G 7.78 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 48 M 7.73 4.25 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 49 T 8.20 4.89 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 1.19 0.00 0.00 50 V 8.81 4.81 1.80 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 0.65 0.00 0.00 0.84 0.00 0.00 51 T 8.27 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 1.18 0.00 0.00 52 I 8.28 4.48 1.53 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.63 0.29 0.00 0.00 53 K 8.21 4.89 0.00 1.61 1.71 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.34 7.81 54 T 7.98 4.56 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 1.22 0.00 0.00 55 N 9.05 4.45 0.00 2.73 2.85 0.00 0.00 6.83 7.35 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 56 A 7.89 4.50 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 57 C 7.57 4.79 0.00 3.06 3.02 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 58 H 7.17 5.03 0.00 3.35 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.58 4.77 0.00 2.78 2.85 0.00 0.00 7.13 7.65 0.00 0.00 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 G 9.28 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.57 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 0.00 0.00 0.00 62 G 8.46 3.78 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 0.00 0.00 0.00 63 F 8.18 5.23 0.00 2.89 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 64 S 8.81 4.59 0.00 3.89 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 65 E 8.26 4.78 0.00 2.13 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 2.33 2.30 0.00 66 V 8.34 4.73 1.84 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 0.09 0.00 0.00 1.07 0.00 0.00 67 I 8.35 4.43 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.78 0.89 0.00 0.00 68 F 8.88 4.99 0.00 2.92 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 69 R 8.64 4.35 0.00 1.76 1.79 0.00 3.12 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00