NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.1723 0.0000 0.0000 62.9879 31.3355 172.4867 3 K 3.5151 8.5879 129.9936 55.3986 29.4970 173.6542 4 M 4.1799 9.0880 125.4238 55.2155 33.6050 175.9881 5 K 4.4979 8.2727 121.2264 55.1707 33.8523 176.5537 6 T 4.0940 8.1927 112.5249 61.1689 69.8508 174.1195 7 H 4.2460 8.7829 125.4373 55.8063 29.3251 175.6962 8 K 4.0330 8.8315 127.6969 59.6590 31.7639 179.0866 9 G 3.4704 8.2044 103.6293 47.9148 0.0000 175.0881 10 A 4.1386 8.1547 122.1203 54.8906 18.5695 179.0361 11 K 3.8212 7.8831 116.7322 59.8840 32.2746 178.5773 12 K 4.3323 8.6565 115.0135 57.1345 31.6338 178.0266 13 R 4.5652 8.1161 114.0546 55.9203 30.7515 174.7366 14 V 4.4409 7.6655 116.0673 61.4343 34.1188 173.1084 15 K 4.5820 8.7015 123.6528 54.9858 35.1600 175.3238 16 I 4.7698 8.0194 120.9057 59.3645 40.3592 175.0061 17 T 4.1717 9.0184 120.6534 60.9645 69.6686 175.4469 18 A 3.9821 8.6151 124.1248 55.6275 18.2551 179.3812 19 S 4.1830 7.9442 109.2459 59.8088 63.1165 174.3508 20 G 3.7252 8.0055 108.1993 46.2781 0.0000 173.4296 21 K 4.5476 8.5680 117.8850 54.4042 35.4532 176.2931 22 V 4.6991 8.3009 122.4702 61.4746 33.7354 174.3071 23 V 5.4550 8.7638 127.9425 60.7977 33.6035 174.4419 24 A 5.2463 8.3900 128.8840 50.4508 23.0939 173.3849 25 M 4.7124 8.3414 116.7477 53.5914 33.5885 176.6406 26 K 3.9771 7.9400 122.5772 57.0862 32.6658 176.9406 27 T 4.1868 8.5911 114.6110 61.9954 70.3455 173.1322 28 G 3.6625 9.6136 110.8069 45.0693 0.0000 172.7334 29 K 4.5296 7.7077 118.1841 57.3572 38.0277 175.4930 30 R 4.7529 7.8624 118.0828 56.2186 31.6804 175.0008 31 H 4.8081 7.7944 125.5389 54.7419 34.9784 176.7446 32 L 3.7129 8.7044 119.5587 57.3157 39.9426 176.5759 33 N 4.3162 7.8015 118.2990 53.9112 38.9286 172.8127 34 W 4.2450 7.3383 135.0000 57.6113 33.0050 174.7858 35 Q 3.9100 6.7249 124.7611 53.0169 28.3593 173.7122 36 K 4.4514 7.5282 119.9537 53.3259 35.9424 176.2661 37 S 4.0798 8.5225 117.7657 57.5083 64.0769 175.8770 38 G 3.6003 8.6911 110.0127 48.6913 0.0000 175.6747 39 K 3.7855 8.3747 120.9656 60.0562 31.8453 177.5525 40 E 3.5653 8.1859 112.7850 61.1343 29.3561 179.1843 41 I 3.8339 6.9079 116.0664 64.4802 38.4836 178.3768 42 R 3.9571 8.1970 119.4902 57.7003 31.1037 177.0982 43 Q 4.5537 7.6695 121.2496 54.4874 26.9671 176.7440 44 K 4.5638 7.3977 119.8705 54.2844 33.0046 176.8280 45 G 4.1658 7.8634 110.8687 43.4591 0.0000 169.7698 46 R 5.0610 8.5550 119.2286 56.3553 30.9525 175.4436 47 K 4.1770 8.0333 117.4025 56.5561 36.0339 174.0240 48 F 5.4914 8.3855 119.1150 56.1090 40.0216 176.3219 49 V 4.2149 8.4711 124.4148 62.1776 32.6546 175.0851 50 L 4.5446 7.9586 125.3653 54.4549 45.0852 176.3035 51 A 3.8130 8.8493 125.2094 52.6230 16.7854 177.6576 52 K 4.4832 7.6459 117.6022 56.4456 34.5666 176.5824 53 P 4.4975 0.0000 0.0000 65.6107 30.6984 177.9612 54 E 3.3223 8.3695 117.7570 58.8262 29.2675 178.6560 55 A 4.0697 7.6524 119.8255 54.2999 19.5131 178.3866 56 E 3.8250 8.2455 116.8326 59.7771 29.4624 179.4017 57 R 4.0267 8.8450 118.6339 59.5483 30.0408 178.9098 58 I 3.7485 6.9374 118.4473 64.4931 37.3979 177.6757 59 K 4.2922 7.8912 117.0028 56.9430 32.9766 176.4842 60 L 4.9224 8.7594 119.2137 52.8435 42.7733 176.1049 61 L 4.0045 7.8752 119.4996 57.8444 40.4132 179.6943 62 L 4.0734 9.0139 118.1031 56.8033 42.5112 177.0925 63 P 4.2140 0.0000 0.0000 64.0319 31.0357 176.3899 64 Y 3.2365 8.2542 118.8723 58.7576 37.6744 171.0773 *65 E 4.1515 8.4710 114.0217 56.4832 30.5285 172.8182 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 P 0.00 4.17 0.00 2.20 2.19 0.00 3.84 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 1.89 1.96 0.00 3 K 8.59 3.52 0.00 2.00 1.92 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.53 7.81 4 M 9.09 4.18 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 5 K 8.27 4.50 0.00 1.74 1.73 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.42 7.81 6 T 8.19 4.09 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 1.27 0.00 0.00 7 H 8.78 4.25 0.00 3.23 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.83 4.03 0.00 1.77 1.85 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.45 7.81 9 G 8.20 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.14 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 3.82 0.00 1.80 2.07 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.54 7.81 12 K 8.66 4.33 0.00 1.94 1.85 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.56 7.81 13 R 8.12 4.57 0.00 1.82 1.94 0.00 3.11 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.53 0.00 14 V 7.67 4.44 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 0.70 0.00 0.00 0.95 0.00 0.00 15 K 8.70 4.58 0.00 1.77 1.78 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.37 7.81 16 I 8.02 4.77 1.88 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 1.39 0.88 0.92 0.00 0.00 17 T 9.02 4.17 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 1.39 0.00 0.00 18 A 8.62 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.94 4.18 0.00 3.83 3.88 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 0.00 0.00 0.00 20 G 8.01 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.57 4.55 0.00 1.78 1.52 0.00 1.56 0.00 0.00 0.61 0.00 0.00 2.45 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.99 1.21 7.81 22 V 8.30 4.70 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 1.04 0.00 0.00 0.95 0.00 0.00 23 V 8.76 5.46 2.06 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 0.81 0.00 0.00 1.02 0.00 0.00 24 A 8.39 5.25 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 25 M 8.34 4.71 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 26 K 7.94 3.98 0.00 1.69 1.79 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.57 7.81 27 T 8.59 4.19 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 1.22 0.00 0.00 28 G 9.61 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.71 4.53 0.00 1.69 1.78 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.42 7.81 30 R 7.86 4.75 0.00 1.82 1.90 0.00 3.50 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 31 H 7.79 4.81 0.00 3.18 2.20 0.00 5.78 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.70 3.71 0.00 1.76 1.68 0.84 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.80 4.32 0.00 2.73 2.93 0.00 0.00 6.96 7.55 0.00 0.00 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 W 7.34 4.25 0.00 3.20 3.28 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 0.00 35 Q 6.72 3.91 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.46 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 36 K 7.53 4.45 0.00 1.67 1.74 0.00 1.90 0.00 0.00 1.77 0.00 0.00 3.32 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.40 7.81 37 S 8.52 4.08 0.00 3.95 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 38 G 8.69 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.37 3.79 0.00 1.81 1.81 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.54 7.81 40 E 8.19 3.57 0.00 2.14 1.83 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 2.34 2.48 0.00 41 I 6.91 3.83 1.87 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 1.38 0.51 0.90 0.00 0.00 42 R 8.20 3.96 0.00 1.80 2.13 0.00 3.39 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 43 Q 7.67 4.55 0.00 2.39 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 44 K 7.40 4.56 0.00 1.74 1.66 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.47 7.81 45 G 7.86 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 46 R 8.56 5.06 0.00 1.57 1.83 0.00 3.25 0.00 0.00 3.86 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.44 0.00 47 K 8.03 4.18 0.00 1.72 1.80 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.41 7.81 48 F 8.39 5.49 0.00 3.01 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 49 V 8.47 4.21 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 0.73 0.00 0.00 1.02 0.00 0.00 50 L 7.96 4.54 0.00 1.70 1.43 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.85 3.81 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 52 K 7.65 4.48 0.00 1.91 1.75 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.37 7.81 53 P 0.00 4.50 0.00 2.30 2.31 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 54 E 8.37 3.32 0.00 2.01 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 2.38 2.38 0.00 55 A 7.65 4.07 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 56 E 8.25 3.83 0.00 2.03 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 2.34 2.44 0.00 57 R 8.85 4.03 0.00 1.90 1.91 0.00 3.16 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 58 I 6.94 3.75 2.05 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 1.59 0.75 0.91 0.00 0.00 59 K 7.89 4.29 0.00 1.93 1.83 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.46 1.44 7.81 60 L 8.76 4.92 0.00 1.69 1.61 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.88 4.00 0.00 1.89 1.74 0.98 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 62 L 9.01 4.07 0.00 1.69 1.82 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.21 0.00 2.22 2.25 0.00 4.01 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.07 0.00 64 Y 8.25 3.24 0.00 3.05 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 *65 E 8.47 4.15 0.00 1.73 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.