NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4103 0.0000 0.0000 62.2223 32.6205 176.7644 2 K 3.9707 7.7919 117.7099 56.0057 33.6282 176.2644 3 I 3.8530 8.5505 123.9406 61.6738 38.2580 175.8307 4 K 4.3320 8.1702 120.9037 56.0182 34.4749 175.4652 5 T 4.1906 8.3069 123.5719 62.6788 69.4824 175.3566 6 V 3.6820 8.2709 125.2362 63.1748 31.0135 176.3286 7 R 4.0176 8.7027 126.7057 59.2262 29.7349 178.1445 8 G 3.5126 8.0282 104.6895 47.7653 0.0000 175.4076 9 A 4.3790 8.0068 123.5285 54.5545 18.0530 178.8049 10 A 4.4152 7.3915 116.5925 53.1474 19.1843 178.4915 11 K 4.5065 8.0540 116.2775 55.9898 32.4880 177.2165 12 R 4.4961 7.2935 113.1087 55.7145 30.5959 174.2471 13 F 5.0626 7.6972 114.4300 56.1464 42.2574 174.3672 14 K 4.6771 9.1685 124.8555 54.7436 34.7787 175.9793 15 K 4.5514 9.2531 129.0824 55.7103 33.4636 175.3658 16 T 4.4358 7.6830 111.9523 60.8873 69.9909 174.0942 17 G 3.8260 7.9591 106.6498 45.6066 0.0000 172.8575 18 K 4.0275 7.6859 119.8336 55.4687 34.9047 174.5841 19 G 3.7966 8.9461 109.3506 48.2905 0.0000 174.2176 20 G 3.9904 7.1772 106.5793 45.7666 0.0000 173.6375 21 F 4.7814 8.5734 116.7706 55.5447 41.0392 174.4817 22 K 3.9931 8.1711 115.9113 57.6277 29.6922 172.4101 23 H 5.1972 8.7826 122.8932 53.5983 30.8937 173.4739 24 K 4.6237 8.4720 117.8232 55.6723 34.5794 174.7987 25 H 4.8665 8.4416 116.4509 54.3022 30.8654 175.6549 26 A 4.2745 8.1645 125.0541 52.2936 20.2917 177.7305 27 N 4.2189 8.8970 114.8322 54.2559 37.3360 174.7034 28 L 4.6764 7.5955 117.8584 51.9333 41.9852 175.4555 29 R 5.2210 7.6449 129.1384 56.4159 31.3404 175.2848 30 H 4.6433 8.1157 111.6318 55.6437 27.7127 178.1364 31 I 3.9970 8.8549 126.6169 62.3826 37.1500 175.6183 32 L 4.6669 8.3025 120.1754 54.9004 46.1971 177.6766 33 T 3.8862 8.3360 113.6089 65.0017 67.2292 175.0224 34 K 4.1230 8.0537 118.4282 59.3712 32.9488 177.5908 35 K 3.7932 7.2976 116.4620 56.5914 32.6774 176.2348 36 A 4.4177 8.3372 124.5593 51.5462 19.5624 178.8131 37 T 3.9394 8.4173 111.1989 65.1512 68.9555 175.7421 38 K 3.9413 8.7086 122.5643 57.3076 31.9673 179.1208 39 R 3.6973 7.4924 117.8697 58.8135 31.4314 177.9843 40 K 4.0999 7.9711 118.2179 58.8706 32.2899 179.1358 41 R 3.8813 8.0301 117.9268 59.2185 29.9409 177.5633 42 H 4.5706 8.0815 114.4648 57.5031 29.3762 176.2286 43 L 4.4449 7.3379 117.7639 54.7331 41.5959 178.0734 44 R 4.0448 7.4746 119.9154 58.3810 30.3526 175.6477 45 P 4.4129 0.0000 0.0000 62.7840 31.6618 175.3492 46 K 4.4445 8.1663 117.1134 55.4746 34.9158 175.5992 47 A 4.7857 8.5796 131.0605 51.6576 21.9806 174.1429 48 M 5.1910 8.3491 111.9150 53.7592 35.0033 176.1790 49 V 3.9703 8.8355 111.8510 61.4831 32.3753 175.9084 50 S 4.5267 8.3116 117.1394 58.1859 65.1671 177.1651 51 K 3.7370 8.5808 122.7703 55.6489 35.0530 176.2299 52 G 4.0118 8.8600 109.9851 49.2454 0.0000 175.2976 53 D 4.4223 9.7381 121.3658 57.8198 40.4934 179.4562 54 L 3.9252 7.2842 120.4796 57.8079 42.8819 178.3230 55 G 3.7374 7.8581 105.8077 48.2698 0.0000 174.9145 56 L 3.9024 7.6783 121.3766 57.5300 41.8727 179.9141 57 V 3.2329 7.1214 117.2402 66.2771 30.7218 178.1677 58 I 3.7739 7.5853 118.8687 63.9110 36.6511 177.8560 59 A 3.8784 7.9241 120.7689 54.3902 18.8047 178.9666 60 C 4.3647 7.9219 116.0592 61.6298 29.0856 173.2980 61 L 5.3409 7.0607 119.2543 53.3100 40.3223 173.7592 62 P 4.3450 0.0000 0.0000 66.6322 31.2609 177.3199 63 Y 3.9576 7.4963 114.9753 59.7327 38.5400 175.5709 64 A 4.2836 7.9840 129.2221 52.9746 18.4105 177.3421 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 P 0.00 4.41 0.00 2.07 2.12 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 2 K 7.79 3.97 0.00 2.10 1.91 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.54 7.81 3 I 8.55 3.85 2.25 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 1.38 0.65 1.01 0.00 0.00 4 K 8.17 4.33 0.00 1.66 1.63 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.39 7.81 5 T 8.31 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 1.30 0.00 0.00 6 V 8.27 3.68 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 1.01 0.00 0.00 0.93 0.00 0.00 7 R 8.70 4.02 0.00 1.95 1.94 0.00 3.28 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 8 G 8.03 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 0.00 0.00 0.00 9 A 8.01 4.38 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.39 4.42 1.38 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 0.00 0.00 0.00 11 K 8.05 4.51 0.00 1.78 1.82 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.62 7.81 12 R 7.29 4.50 0.00 1.32 1.69 0.00 3.02 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.28 0.00 13 F 7.70 5.06 0.00 2.90 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 14 K 9.17 4.68 0.00 1.81 1.74 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.57 7.81 15 K 9.25 4.55 0.00 1.88 1.70 0.00 1.31 0.00 0.00 0.61 0.00 0.00 2.65 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.15 0.65 7.81 16 T 7.68 4.44 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 1.21 0.00 0.00 17 G 7.96 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 18 K 7.69 4.03 0.00 1.79 1.62 0.00 1.59 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.21 1.30 7.81 19 G 8.95 3.80 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 0.00 0.00 0.00 20 G 7.18 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 21 F 8.57 4.78 0.00 3.28 3.27 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 22 K 8.17 3.99 0.00 1.85 1.83 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.42 7.81 23 H 8.78 5.20 0.00 3.07 3.36 0.00 5.77 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.47 4.62 0.00 1.73 1.78 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.41 7.81 25 H 8.44 4.87 0.00 3.24 3.23 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.16 4.27 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 27 N 8.90 4.22 0.00 2.88 2.94 0.00 0.00 6.56 7.78 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 28 L 7.60 4.68 0.00 1.71 1.53 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.64 5.22 0.00 1.93 2.01 0.00 3.06 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.40 0.00 30 H 8.12 4.64 0.00 3.13 2.61 0.00 5.90 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.85 4.00 1.88 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 1.44 0.47 0.92 0.00 0.00 32 L 8.30 4.67 0.00 1.65 1.62 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.34 3.89 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 1.21 0.00 0.00 34 K 8.05 4.12 0.00 1.91 1.93 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.47 7.81 35 K 7.30 3.79 0.00 1.92 1.83 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.50 1.58 7.81 36 A 8.34 4.42 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 37 T 8.42 3.94 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 38 K 8.71 3.94 0.00 1.87 1.69 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.60 1.57 7.81 39 R 7.49 3.70 0.00 1.95 2.02 0.00 3.23 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 40 K 7.97 4.10 0.00 1.80 1.83 0.00 1.73 0.00 0.00 1.58 0.00 0.00 3.18 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.74 7.81 41 R 8.03 3.88 0.00 1.95 2.06 0.00 3.30 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 42 H 8.08 4.57 0.00 3.15 3.35 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.34 4.44 0.00 1.76 1.72 1.06 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.47 4.04 0.00 1.75 1.95 0.00 3.16 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 45 P 0.00 4.41 0.00 2.14 2.04 0.00 3.66 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 2.18 1.94 0.00 46 K 8.17 4.44 0.00 2.01 1.69 0.00 1.45 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.27 1.46 7.81 47 A 8.58 4.79 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 48 M 8.35 5.19 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 49 V 8.84 3.97 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 1.07 0.00 0.00 1.14 0.00 0.00 50 S 8.31 4.53 0.00 4.00 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 51 K 8.58 3.74 0.00 1.94 1.94 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.52 7.81 52 G 8.86 4.01 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 0.00 0.00 0.00 53 D 9.74 4.42 0.00 2.77 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 54 L 7.28 3.93 0.00 1.87 1.82 1.04 1.25 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 55 G 7.86 3.74 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 0.00 0.00 0.00 56 L 7.68 3.90 0.00 1.64 1.70 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.12 3.23 1.74 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 -0.34 0.00 0.00 0.18 0.00 0.00 58 I 7.59 3.77 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.05 0.96 0.00 0.00 59 A 7.92 3.88 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 60 C 7.92 4.36 0.00 3.00 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 61 L 7.06 5.34 0.00 1.54 1.63 0.55 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.35 0.00 2.07 2.13 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 63 Y 7.50 3.96 0.00 2.97 2.91 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 64 A 7.98 4.28 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