NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3530 8.2644 123.5844 52.5725 20.5207 177.7557 3 R 4.2668 7.9561 120.5393 57.9088 31.5751 174.3595 4 K 3.8926 8.3232 120.7973 59.6548 32.2845 177.8853 5 A 4.0832 8.1558 120.4077 55.2352 18.0436 179.4370 6 L 4.0967 7.7724 117.2552 57.7129 40.9087 179.1570 7 I 3.7581 7.8383 113.0070 63.9692 37.0824 177.8633 8 E 4.3755 7.9073 118.9369 58.4594 29.4069 178.4678 9 K 3.9710 7.5804 117.6070 58.7956 32.1768 178.4195 10 A 3.9803 7.6790 120.5618 55.0533 18.7543 179.4841 11 K 4.2184 7.2622 115.0959 57.5210 32.1592 177.6032 12 R 4.2148 7.3014 119.0735 56.0324 30.0716 177.2281 13 T 4.7276 8.0889 123.2804 62.2546 68.9930 173.6480 14 P 4.3545 0.0000 0.0000 64.3504 32.3009 176.6205 15 K 4.2113 7.5854 117.2828 54.8532 34.6602 175.9351 16 F 3.6563 6.1592 118.3914 54.6598 39.4674 177.3550 17 K 4.2597 8.6325 121.8465 58.6868 32.8661 179.2248 18 V 3.6377 7.9076 119.5906 66.1003 31.5961 176.5293 19 R 4.3906 7.8973 115.9505 56.5162 30.0735 176.4614 20 A 4.5485 7.5001 121.8429 51.9397 18.7195 178.5625 21 Y 4.5275 8.1850 121.0053 57.3559 38.7939 175.3125 22 T 4.4746 8.4061 108.4408 60.4597 71.7255 173.7152 23 R 4.4729 8.2599 122.1976 55.6132 31.6668 173.7311 24 C 3.7545 9.2322 126.2228 59.1362 32.2215 174.0808 25 V 3.7239 8.6588 128.1594 66.3923 31.4891 177.7091 26 R 4.0324 8.1110 117.2234 58.7960 30.2107 176.4062 27 C 4.5568 7.8116 111.3273 55.8358 31.0476 172.9602 28 G 3.8100 8.5843 113.8097 46.0289 0.0000 171.7914 29 R 4.4778 8.1721 125.2610 54.9165 32.9746 175.3633 30 A 4.1310 8.7351 127.8158 53.1388 19.9590 177.1396 31 R 4.3731 7.9384 114.3786 56.1494 32.1682 176.1861 32 S 3.5138 8.3381 113.6605 59.2422 61.8182 172.2767 33 V 4.5727 7.4129 117.5749 62.3462 33.0761 174.2146 34 Y 4.5112 8.7504 125.1516 57.1046 38.9735 176.8970 35 R 3.9636 8.8932 123.8355 59.5127 30.5242 177.9206 36 F 4.2200 8.5036 118.2842 61.4078 39.5196 176.1034 37 F 4.0376 8.5323 117.6594 58.4538 39.2238 177.1692 38 G 3.9975 8.7634 107.4167 45.3735 0.0000 172.5511 39 L 5.0383 7.6787 118.8440 52.6226 45.0086 176.0053 40 C 5.7714 8.3998 117.5610 56.6693 33.1782 174.3524 41 R 3.9597 8.5667 116.2829 59.5569 28.9238 178.6505 42 I 3.6715 7.6993 120.0070 64.5057 37.1605 178.0207 43 C 4.4097 7.9014 118.2512 61.5589 28.0695 175.3634 44 L 3.6053 8.1817 122.4474 58.3386 41.5187 179.1552 45 R 3.6582 7.5986 117.6960 59.2460 29.6333 178.0541 46 E 3.9304 7.8288 118.2471 59.7162 29.5272 179.5445 47 L 3.9756 8.1083 118.6609 57.6708 41.4311 179.3923 48 A 3.9537 7.9344 120.1775 55.5777 18.3415 179.1900 49 H 4.4165 7.9410 113.7378 58.6865 28.7793 177.8339 50 K 4.1883 7.5325 119.7522 57.5759 32.3198 178.2811 51 G 4.0517 8.3328 106.7285 45.2920 0.0000 175.4892 52 Q 4.2780 7.8018 115.7353 56.0271 27.9214 175.9545 53 L 4.7296 8.1593 118.6538 52.0736 44.1535 175.0006 54 P 4.2387 0.0000 0.0000 63.8533 31.8712 177.7707 55 G 4.1695 9.0306 114.2848 46.2482 0.0000 173.3428 56 V 3.7009 7.9554 119.6644 63.3382 30.0515 175.0788 57 R 4.4921 7.9804 125.9517 53.7509 31.9413 175.5842 58 K 4.0710 8.4144 122.5930 55.5879 32.5169 176.6200 59 A 4.2122 8.5047 129.3045 53.1961 18.8348 177.3807 60 S 4.3470 8.5679 114.8763 58.1424 65.2346 175.4317 61 W 4.7815 8.1303 122.1916 56.7598 27.6587 174.6856 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 2 A 8.26 4.35 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 3 R 7.96 4.27 0.00 1.94 1.88 0.00 3.34 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 4 K 8.32 3.89 0.00 1.91 1.79 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.58 7.81 5 A 8.16 4.08 1.35 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 0.00 0.00 6 L 7.77 4.10 0.00 2.01 1.80 0.98 0.87 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 7 I 7.84 3.76 1.88 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 1.81 0.77 1.00 0.00 0.00 8 E 7.91 4.38 0.00 2.08 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 0.00 2.30 2.31 0.00 9 K 7.58 3.97 0.00 2.04 2.04 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.51 7.81 10 A 7.68 3.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.26 4.22 0.00 1.89 1.85 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.60 7.81 12 R 7.30 4.21 0.00 1.91 1.90 0.00 3.10 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 13 T 8.09 4.73 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 1.28 0.00 0.00 14 P 0.00 4.35 0.00 2.14 2.15 0.00 3.85 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 15 K 7.59 4.21 0.00 1.79 1.83 0.00 1.86 0.00 0.00 1.31 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 1.39 7.81 16 F 6.16 3.66 0.00 3.13 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 17 K 8.63 4.26 0.00 1.98 2.11 0.00 1.54 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.49 7.81 18 V 7.91 3.64 2.10 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 0.82 0.00 0.00 0.98 0.00 0.00 19 R 7.90 4.39 0.00 1.94 2.08 0.00 3.46 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 20 A 7.50 4.55 1.35 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 0.00 0.00 21 Y 8.19 4.53 0.00 3.14 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 22 T 8.41 4.47 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 1.23 0.00 0.00 23 R 8.26 4.47 0.00 1.51 1.70 0.00 3.42 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 24 C 9.23 3.75 0.00 3.15 3.24 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 25 V 8.66 3.72 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 0.82 0.00 0.00 1.00 0.00 0.00 26 R 8.11 4.03 0.00 1.85 1.97 0.00 3.24 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 27 C 7.81 4.56 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 28 G 8.58 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 0.00 0.00 0.00 29 R 8.17 4.48 0.00 1.86 1.86 0.00 3.20 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.67 0.00 30 A 8.74 4.13 1.48 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 31 R 7.94 4.37 0.00 1.84 1.88 0.00 3.37 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 32 S 8.34 3.51 0.00 4.14 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 0.00 33 V 7.41 4.57 2.13 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 0.92 0.00 0.00 1.08 0.00 0.00 34 Y 8.75 4.51 0.00 3.28 3.13 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 0.00 35 R 8.89 3.96 0.00 1.91 2.06 0.00 3.25 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 36 F 8.50 4.22 0.00 2.93 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 37 F 8.53 4.04 0.00 3.14 3.07 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 38 G 8.76 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 0.00 0.00 0.00 0.00 39 L 7.68 5.04 0.00 1.63 1.53 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.40 5.77 0.00 3.33 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.57 3.96 0.00 2.14 2.46 0.00 3.01 0.00 0.00 3.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 42 I 7.70 3.67 1.88 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 1.67 1.63 0.98 0.00 0.00 43 C 7.90 4.41 0.00 2.95 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 44 L 8.18 3.61 0.00 1.21 1.57 0.30 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.60 3.66 0.00 1.99 1.83 0.00 3.16 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 46 E 7.83 3.93 0.00 2.15 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 0.00 2.33 2.55 0.00 47 L 8.11 3.98 0.00 1.73 1.69 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.93 3.95 1.19 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 0.00 0.00 0.00 49 H 7.94 4.42 0.00 3.33 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.53 4.19 0.00 1.90 1.87 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.65 7.81 51 G 8.33 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 52 Q 7.80 4.28 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 53 L 8.16 4.73 0.00 1.59 1.75 0.77 1.10 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 54 P 0.00 4.24 0.00 2.22 2.02 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 55 G 9.03 4.17 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 0.00 56 V 7.96 3.70 2.29 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 0.78 0.00 0.00 1.36 0.00 0.00 57 R 7.98 4.49 0.00 1.83 1.84 0.00 3.32 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 1.57 1.62 0.00 58 K 8.41 4.07 0.00 1.78 1.73 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.41 7.81 59 A 8.50 4.21 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.57 4.35 0.00 3.88 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.13 4.78 0.00 3.29 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