NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7711 8.3393 109.7364 45.3648 0.0000 173.2367 *2 N 4.5119 8.2687 116.9093 52.3792 39.6512 174.6322 3 I 3.6500 8.1551 120.3112 64.7551 38.0613 177.7131 4 D 4.3986 8.1107 118.8537 57.1880 40.7649 178.4611 5 E 4.0319 8.6284 119.6176 59.3144 29.4853 179.2913 6 I 3.7751 7.8732 119.9363 64.2411 37.0887 178.1759 7 E 3.9511 8.5475 119.9683 59.5757 29.3900 179.5110 8 R 3.9302 7.9587 118.3434 59.3380 30.1192 178.7475 9 K 4.0600 8.0602 118.0605 59.1699 31.9475 179.4979 10 I 3.7222 7.9488 120.4854 64.5773 37.0564 178.2242 11 D 4.4524 8.1179 121.8334 57.7796 40.5698 179.3598 12 E 3.9555 8.1898 118.6137 60.9466 29.7247 181.6321 13 A 4.1092 8.3536 122.5169 55.0628 18.4935 179.7378 14 I 3.6771 7.8485 118.2776 64.6392 36.9826 178.3065 15 E 3.9803 7.9670 118.8298 58.9766 29.5735 178.1546 16 K 4.1673 7.8260 115.4448 55.6602 32.4373 176.4997 17 E 3.0927 7.6698 117.7451 57.4253 27.6077 175.5229 18 D 4.3979 7.3702 119.5833 53.3741 40.3557 174.6134 19 Y 4.4292 7.5793 123.3089 59.8028 38.3726 177.0239 20 E 4.0039 8.1411 119.4594 59.7428 29.6848 179.2685 21 T 3.8782 7.8355 115.6590 66.3256 68.4360 176.3754 22 L 3.9580 7.8638 122.2758 58.2231 42.0794 178.7760 23 L 3.9951 8.1972 119.0499 58.3749 41.6721 179.9807 24 S 4.1842 7.9199 114.3795 61.4251 62.7264 176.7959 25 L 4.0191 8.0722 121.8208 57.8124 41.3790 179.5346 26 L 4.1723 8.3091 121.5159 58.4879 41.3019 180.0081 27 N 4.4625 8.0339 118.5675 57.2035 37.2976 179.5708 28 K 4.3391 8.1420 120.0212 59.5466 32.2081 179.4891 29 R 3.9680 8.5776 119.3525 59.0654 29.6983 178.3292 30 K 4.0021 7.8725 121.4640 60.0600 32.1155 178.9248 31 E 4.1519 7.6546 116.9624 60.5378 31.0328 181.1677 32 L 4.4581 7.6244 120.6194 54.0803 40.4441 178.0212 *34 E 4.3962 7.8711 116.9342 55.8206 31.8220 177.5605 35 G 4.1353 7.6369 105.7022 45.0476 0.0000 173.0741 36 L 4.6440 7.6583 118.8438 51.9891 43.6953 175.5284 37 P 4.4505 0.0000 0.0000 62.5269 33.4332 177.4507 38 K 3.9084 8.6411 120.3750 59.9165 32.0209 178.9529 39 D 4.3461 7.9888 118.7499 57.1274 40.8688 178.4608 40 K 3.9361 7.9424 119.7112 59.2013 32.3143 178.2067 41 L 3.9332 7.8467 120.7086 58.6515 41.9818 179.3403 42 S 4.1703 8.1499 114.9804 61.3866 62.7071 176.4943 43 E 4.0727 8.1013 120.1370 59.2188 29.5016 179.2656 44 I 3.7657 7.8730 120.8947 64.1434 37.0131 178.3696 45 L 4.0192 8.1200 120.0032 57.6228 41.5015 179.0888 46 E 3.9236 8.1993 119.4041 59.2301 29.5220 178.8642 47 K 4.0868 8.1852 119.6327 59.5463 32.1800 178.5692 48 D 4.3602 8.1393 119.3565 57.1345 40.6404 178.8395 49 R 3.9239 7.8126 118.7348 59.3150 30.2238 179.2666 50 K 4.0270 7.7202 116.8068 59.4377 31.9727 179.6436 51 R 3.9644 8.2482 118.6070 59.2545 30.0044 178.9065 52 L 4.0064 8.2076 120.2111 57.8719 42.1566 178.5869 53 E 3.9522 8.1468 119.5715 59.1555 29.6849 178.8271 54 I 3.7253 7.6728 119.6898 64.5093 37.1961 178.4844 55 I 3.8981 7.6450 113.2628 63.7120 37.5331 178.0179 56 E 3.9509 8.3006 120.6181 59.0897 29.3119 179.3659 57 K 4.0245 8.0388 118.5091 59.3371 32.1363 179.3381 58 R 3.9306 7.9325 118.7210 59.2824 29.9886 178.5340 59 K 3.8586 8.3175 119.9523 59.6002 32.2244 178.9814 60 T 4.1585 8.1060 109.9389 64.6001 68.5820 176.5467 61 A 4.0317 7.9667 123.4303 54.8749 18.3384 179.4784 62 L 3.8634 7.9566 117.5321 58.0872 41.6813 179.7962 63 F 4.3783 8.0555 117.5895 60.6310 38.9162 177.8133 64 Q 4.0319 8.2309 117.7412 58.9838 28.6519 178.3934 65 E 3.9769 8.4658 120.5138 59.2455 29.6786 178.7838 66 I 3.7393 8.1720 120.3143 64.6509 37.1856 178.1970 67 N 4.4245 8.2794 117.2348 56.2328 38.3374 177.7191 68 V 3.6527 7.8045 119.4450 65.9672 31.5818 178.2284 69 I 3.7833 7.7484 119.2822 64.2738 36.8974 178.5343 70 R 4.0217 8.0948 119.0576 59.2232 29.8294 178.9856 71 E 3.9482 8.2046 118.2085 59.2966 29.5094 179.1999 72 A 3.9766 8.1032 120.8090 55.0910 18.4692 179.5104 73 R 3.8244 8.4268 117.6001 59.8859 29.9273 178.8791 74 S 4.1455 7.8450 113.5161 61.7320 62.8825 176.4235 75 S 4.2609 8.0039 114.8682 60.9844 62.1616 175.8918 76 L 4.1594 8.2858 121.7759 57.5750 41.4890 177.5212 77 Q 4.2971 7.9807 121.4201 56.2107 28.7923 176.0826 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 0 G 8.34 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.51 0.00 3.03 3.01 0.00 0.00 5.60 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 3 I 8.16 3.65 1.87 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 1.64 1.43 0.91 0.00 0.00 4 D 8.11 4.40 0.00 2.87 2.70 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 5 E 8.63 4.03 0.00 2.21 1.99 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 2.32 2.40 0.00 6 I 7.87 3.78 1.87 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 1.52 0.74 0.91 0.00 0.00 7 E 8.55 3.95 0.00 2.16 2.01 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 2.47 2.47 0.00 8 R 7.96 3.93 0.00 2.02 2.05 0.00 3.09 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 9 K 8.06 4.06 0.00 1.88 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.73 7.81 10 I 7.95 3.72 2.05 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 1.53 0.76 0.93 0.00 0.00 11 D 8.12 4.45 0.00 2.67 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 12 E 8.19 3.96 0.00 2.01 1.96 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 2.24 2.20 0.00 13 A 8.35 4.11 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 14 I 7.85 3.68 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.07 0.98 0.00 0.00 15 E 7.97 3.98 0.00 2.10 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 0.00 2.31 2.35 0.00 16 K 7.83 4.17 0.00 1.95 1.75 0.00 2.03 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.46 1.34 7.81 17 E 7.67 3.09 0.00 1.96 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 2.31 0.00 18 D 7.37 4.40 0.00 2.54 2.40 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 19 Y 7.58 4.43 0.00 3.08 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 20 E 8.14 4.00 0.00 1.98 2.01 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 2.44 2.36 0.00 21 T 7.84 3.88 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 1.20 0.00 0.00 22 L 7.86 3.96 0.00 1.91 1.88 0.96 0.83 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 23 L 8.20 4.00 0.00 1.98 1.74 0.94 1.14 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 24 S 7.92 4.18 0.00 3.94 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 25 L 8.07 4.02 0.00 1.87 1.72 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.31 4.17 0.00 1.85 1.73 0.94 0.59 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 27 N 8.03 4.46 0.00 2.84 2.73 0.00 0.00 7.11 7.59 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 28 K 8.14 4.34 0.00 1.96 1.88 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.58 7.81 29 R 8.58 3.97 0.00 1.97 2.08 0.00 3.18 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 30 K 7.87 4.00 0.00 2.23 2.00 0.00 1.97 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.34 7.81 31 E 7.65 4.15 0.00 2.15 1.85 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 2.26 2.22 0.00 32 L 7.62 4.46 0.00 1.71 1.67 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 *34 E 7.87 4.40 0.00 2.24 2.05 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 2.21 1.89 0.00 35 G 7.64 4.14 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 0.00 0.00 0.00 36 L 7.66 4.64 0.00 1.64 1.60 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.45 0.00 2.26 2.17 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 38 K 8.64 3.91 0.00 1.84 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.54 7.81 39 D 7.99 4.35 0.00 2.85 2.70 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 40 K 7.94 3.94 0.00 1.86 1.93 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.55 7.81 41 L 7.85 3.93 0.00 1.81 1.85 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.15 4.17 0.00 4.05 3.90 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 0.00 0.00 0.00 43 E 8.10 4.07 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.35 0.00 44 I 7.87 3.77 2.02 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 1.73 0.72 0.92 0.00 0.00 45 L 8.12 4.02 0.00 1.70 1.71 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.20 3.92 0.00 2.22 2.11 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 2.31 2.19 0.00 47 K 8.19 4.09 0.00 2.09 1.96 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.53 7.81 48 D 8.14 4.36 0.00 2.95 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 49 R 7.81 3.92 0.00 2.01 1.98 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 50 K 7.72 4.03 0.00 1.98 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.63 7.81 51 R 8.25 3.96 0.00 2.03 2.00 0.00 3.26 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 52 L 8.21 4.01 0.00 1.86 1.84 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.15 3.95 0.00 2.21 2.14 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 2.32 2.36 0.00 54 I 7.67 3.73 2.08 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 1.60 1.13 0.96 0.00 0.00 55 I 7.64 3.90 1.66 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.50 1.08 0.00 0.00 56 E 8.30 3.95 0.00 2.19 2.05 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 2.42 2.50 0.00 57 K 8.04 4.02 0.00 2.11 1.87 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.31 7.81 58 R 7.93 3.93 0.00 2.03 2.12 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 59 K 8.32 3.86 0.00 1.87 1.96 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.28 7.81 60 T 8.11 4.16 4.31 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 1.31 0.00 0.00 61 A 7.97 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 3.86 0.00 1.62 1.50 0.81 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.06 4.38 0.00 3.25 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 64 Q 8.23 4.03 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.70 0.00 65 E 8.47 3.98 0.00 2.03 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 0.00 2.31 2.36 0.00 66 I 8.17 3.74 2.13 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 0.99 0.00 0.00 67 N 8.28 4.42 0.00 2.96 2.89 0.00 0.00 6.69 7.74 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 68 V 7.80 3.65 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 1.04 0.00 0.00 0.99 0.00 0.00 69 I 7.75 3.78 2.04 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 1.53 0.55 0.92 0.00 0.00 70 R 8.09 4.02 0.00 2.09 1.99 0.00 3.31 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 71 E 8.20 3.95 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 72 A 8.10 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.43 3.82 0.00 1.90 2.17 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 74 S 7.84 4.15 0.00 4.04 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 75 S 8.00 4.26 0.00 4.00 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 76 L 8.29 4.16 0.00 1.75 1.71 0.92 0.96 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 77 Q 7.98 4.30 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 * Residues marked with a * may have inaccurate shift predictions.