NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.4273 8.1449 121.6757 57.3698 39.9037 174.0065 2 N 4.3369 7.4661 124.9406 48.8828 40.2116 174.0023 3 P 4.4028 0.0000 0.0000 65.6785 32.4801 177.5484 4 E 4.3956 7.9834 116.4935 57.9521 29.3230 176.9846 5 D 4.5748 7.8521 118.3183 56.2629 41.6907 176.1574 6 D 5.0712 8.7317 118.0777 54.3710 43.5096 174.6734 7 Y 4.5935 8.6971 120.2610 58.2767 39.7479 175.0233 8 T 4.5559 7.7909 115.7626 58.6618 67.9838 172.5986 9 P 3.5370 0.0000 0.0000 66.0360 32.1307 179.4824 10 L 3.9069 7.0892 118.7548 57.3710 41.5410 178.1132 11 T 4.3523 7.4981 105.1968 61.7913 70.8280 175.0377 12 C 4.4757 7.5443 124.0808 55.3625 44.0430 172.1826 13 P 4.1963 0.0000 0.0000 64.3272 31.3153 175.6556 14 H 5.0582 7.3893 115.7979 54.3372 31.2528 174.0463 15 T 4.7256 8.0057 111.2260 59.3256 70.4886 175.6828 16 I 2.9717 8.0954 121.8215 63.5267 38.2994 177.5041 17 S 4.3022 8.1769 115.7157 61.3134 62.8965 175.9547 18 V 4.6588 7.5589 111.8887 60.6154 32.5718 177.7157 19 V 4.1257 7.9272 121.0342 63.8994 32.6996 176.5990 20 W 4.3873 8.2819 129.2380 60.1297 30.7046 176.6974 21 Y 4.1512 8.4279 119.1037 60.8735 37.6403 178.1840 22 E 3.5943 8.0826 117.7107 59.1468 29.5349 178.6571 23 C 4.6187 8.1239 115.4331 56.6600 40.4062 174.6247 24 T 3.7841 6.8818 108.1426 61.0176 69.9152 174.0583 25 E 4.2987 7.6699 118.9054 57.2937 34.2330 174.7728 26 N 4.4279 6.7405 118.4591 52.9031 35.9949 175.0666 27 T 3.7621 8.1601 115.0535 63.5451 69.0835 176.3522 28 A 4.2239 8.0476 123.9116 53.9460 18.4865 177.9020 29 N 4.8053 7.3769 107.0063 53.3805 40.8479 172.6073 30 C 4.3421 8.3477 115.5458 55.2376 39.6620 174.0673 31 G 4.3393 7.4049 107.5211 44.2969 0.0000 173.8385 32 T 3.8018 8.0934 115.8406 66.8244 68.0713 176.7830 33 A 4.0700 7.9462 120.5729 54.9592 18.6676 179.9026 34 C 4.3921 7.9964 116.7921 60.1378 43.8922 176.0914 35 C 4.4883 8.1507 118.0786 60.4129 39.7163 175.7984 36 D 4.3740 8.3802 118.0465 55.9762 40.3915 177.1612 37 S 4.7455 7.6788 114.1063 58.2626 63.6840 173.4732 38 C 4.8925 7.9250 118.4158 55.9568 45.7439 173.0611 39 F 5.7011 8.7605 115.4352 56.9758 43.1751 173.1503 40 E 4.8208 9.1484 119.9809 53.8399 33.9701 177.5815 41 L 3.7780 8.7120 120.3858 56.3601 40.5316 178.8156 42 T 3.8727 8.3977 121.3642 67.1309 67.8643 176.2872 43 G 3.8278 8.2441 107.8065 47.6816 0.0000 175.0411 44 N 4.4108 8.5485 120.0987 56.8258 38.9423 176.6357 45 T 3.8831 7.9622 116.9947 67.2990 68.7581 176.2928 46 M 4.1645 8.3585 120.3334 58.4604 31.9532 177.9446 47 C 3.6929 8.4297 118.8208 59.6041 44.4735 175.4728 48 L 3.8696 8.0985 120.6969 57.9965 40.7946 179.4256 49 L 3.9365 8.1964 119.0135 57.9003 41.3088 179.5741 50 Q 3.8788 7.6574 117.5911 59.0188 29.1693 177.3354 51 A 4.2404 7.9250 120.9207 54.1274 18.8010 178.6886 52 G 3.9733 7.9639 105.3783 44.3403 0.0000 174.5753 53 A 3.9298 7.7634 120.9940 54.0015 18.8579 180.1195 54 A 4.5472 7.1566 118.1652 48.3311 19.3668 176.8377 55 G 3.9775 9.1424 114.2089 42.7901 0.0000 178.6365 56 S 3.5808 7.8967 120.9028 57.6927 62.7500 172.5306 57 G 4.0709 8.3685 108.3390 45.3909 0.0000 173.0003 58 C 4.6159 7.5813 117.5883 56.5866 36.0809 172.9803 59 D 4.6800 8.5929 118.8702 53.0227 42.2483 174.1589 60 M 4.5355 8.4190 124.7706 53.3299 32.6165 176.3034 61 E 4.0991 8.7061 122.5921 56.7692 29.9088 175.4747 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 Y 8.14 4.43 0.00 2.98 3.01 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 2 N 7.47 4.34 0.00 2.64 2.42 0.00 0.00 6.65 6.93 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 3 P 0.00 4.40 0.00 1.75 2.18 0.00 3.22 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.87 0.00 4 E 7.98 4.40 0.00 1.92 2.04 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 2.23 2.16 0.00 5 D 7.85 4.57 0.00 2.45 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 6 D 8.73 5.07 0.00 2.91 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 7 Y 8.70 4.59 0.00 3.16 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 8 T 7.79 4.56 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 1.23 0.00 0.00 9 P 0.00 3.54 0.00 2.12 2.26 0.00 3.31 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 10 L 7.09 3.91 0.00 1.44 1.73 0.83 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.50 4.35 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 1.17 0.00 0.00 12 C 7.54 4.48 0.00 3.00 2.89 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 13 P 0.00 4.20 0.00 2.09 2.08 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.87 0.00 14 H 7.39 5.06 0.00 3.36 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.01 4.73 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 1.26 0.00 0.00 16 I 8.10 2.97 1.62 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 1.15 0.07 0.86 0.00 0.00 17 S 8.18 4.30 0.00 3.90 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 18 V 7.56 4.66 2.17 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 0.70 0.00 0.00 1.00 0.00 0.00 19 V 7.93 4.13 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 0.79 0.00 0.00 0.88 0.00 0.00 20 W 8.28 4.39 0.00 3.53 3.22 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 21 Y 8.43 4.15 0.00 3.23 3.06 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 22 E 8.08 3.59 0.00 2.31 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 0.00 2.09 2.37 0.00 23 C 8.12 4.62 0.00 3.07 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.88 3.78 3.71 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 0.26 0.00 0.00 25 E 7.67 4.30 0.00 1.62 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 26 N 6.74 4.43 0.00 2.35 2.64 0.00 0.00 7.11 7.11 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 27 T 8.16 3.76 4.20 0.00 0.00 0.00 0.00 0.00 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 28 A 8.05 4.22 1.33 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 0.00 0.00 29 N 7.38 4.81 0.00 2.79 2.87 0.00 0.00 6.91 8.12 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 30 C 8.35 4.34 0.00 3.10 3.35 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 0.00 31 G 7.40 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.09 3.80 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 1.22 0.00 0.00 33 A 7.95 4.07 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 34 C 8.00 4.39 0.00 3.14 3.23 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 0.00 35 C 8.15 4.49 0.00 3.24 3.25 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 36 D 8.38 4.37 0.00 2.79 2.75 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 37 S 7.68 4.75 0.00 4.02 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.92 4.89 0.00 3.12 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.76 5.70 0.00 3.16 2.95 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 0.00 0.00 0.00 40 E 9.15 4.82 0.00 1.95 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 2.27 2.43 0.00 41 L 8.71 3.78 0.00 1.88 1.19 1.07 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.40 3.87 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 0.51 0.00 0.00 43 G 8.24 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.55 4.41 0.00 2.95 3.06 0.00 0.00 7.74 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 45 T 7.96 3.88 4.38 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 1.19 0.00 0.00 46 M 8.36 4.16 0.00 2.21 2.37 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.79 0.00 47 C 8.43 3.69 0.00 2.52 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 3.87 0.00 1.87 1.69 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.20 3.94 0.00 1.99 1.79 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.66 3.88 0.00 1.90 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.05 0.00 0.00 0.00 0.00 0.00 1.72 2.14 0.00 51 A 7.92 4.24 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 52 G 7.96 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 0.00 0.00 0.00 53 A 7.76 3.93 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 54 A 7.16 4.55 1.23 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 0.00 0.00 0.00 55 G 9.14 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 56 S 7.90 3.58 0.00 3.92 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 57 G 8.37 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 0.00 0.00 0.00 0.00 58 C 7.58 4.62 0.00 2.88 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 59 D 8.59 4.68 0.00 2.77 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.42 4.54 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.37 0.00 61 E 8.71 4.10 0.00 2.02 1.92 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 2.24 2.23 0.00