NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 P 4.4371 0.0000 0.0000 61.9180 32.8339 174.7339 11 P 4.8077 0.0000 0.0000 60.5821 34.0737 171.9303 12 A 4.4797 9.0445 123.6514 50.4673 21.2364 178.4174 13 L 4.0609 8.3400 122.8634 55.2401 43.0541 175.6996 14 H 5.2458 8.5920 121.4072 53.8983 31.7044 172.9097 15 L 4.3838 9.7747 127.6719 54.2878 43.0232 176.0031 16 V 4.2419 9.0816 128.5820 62.2657 31.7680 175.0709 17 D 4.4680 8.5907 128.3755 52.5711 41.8329 176.7257 18 P 4.4102 0.0000 0.0000 65.5022 31.3768 177.3734 19 Q 4.1129 8.2689 116.5740 58.3950 28.2708 177.1725 20 I 4.5764 7.8188 118.6428 59.1769 39.6611 174.6644 21 Q 4.7274 8.2128 122.1710 54.4423 32.9812 174.0453 22 L 4.4011 8.5981 123.7950 55.5332 43.9811 176.0239 23 T 5.2212 8.1879 118.0224 62.3761 71.7290 173.6843 24 I 4.5082 9.0578 128.6101 59.8509 38.8511 175.8533 25 T 3.5728 8.3037 114.0834 61.7431 69.5007 173.4906 *39 D 4.1595 8.3958 123.0579 55.1910 41.6986 174.7278 40 P 4.1677 0.0000 0.0000 61.2580 28.0645 177.6950 41 K 4.2847 7.8901 119.3144 55.0573 32.9959 176.5978 42 V 5.4108 7.7908 124.0458 60.8338 32.9674 174.1143 43 Y 4.9266 8.7176 125.8897 55.1613 40.9305 173.9507 44 P 4.8603 0.0000 0.0000 63.3855 33.1350 174.6069 45 I 4.8841 8.2778 119.5916 59.6088 40.1409 174.8537 46 I 4.9426 8.5346 127.2026 59.4422 40.3023 174.5077 47 L 5.1209 8.6962 125.0771 52.4564 44.6017 177.5473 48 R 4.6361 8.3179 125.9766 55.1358 29.6245 176.5802 49 L 4.0122 7.9743 120.2493 56.0676 40.2296 177.2024 50 G 3.8007 8.7549 113.1703 47.1204 0.0000 171.9414 51 S 4.8782 7.6196 113.8523 56.1503 65.4113 172.9510 52 N 4.7817 8.2686 116.9061 51.3572 39.1243 174.4457 53 L 4.0989 8.2665 123.4633 54.7649 42.5081 176.8405 54 S 4.7954 8.3554 114.8100 56.2916 65.2865 172.9279 55 L 4.9364 8.1457 126.7715 53.6132 45.3872 175.0903 56 S 5.1208 8.5239 119.5821 57.3577 67.4528 172.7189 57 M 4.5906 8.8224 122.4530 54.2619 33.6727 174.7185 58 A 5.9400 8.4917 126.4189 49.6516 22.2042 175.3392 59 R 4.7417 8.4121 117.3157 54.4157 35.0343 174.8831 60 R 3.1999 8.3907 121.6655 56.4032 30.7424 177.0145 61 N 4.5676 8.2703 123.5574 52.6081 37.1706 174.4560 62 L 4.3696 8.0660 119.7121 54.3419 42.4615 176.8799 63 D 4.8400 7.8614 116.7338 52.8728 39.9008 174.8653 64 S 4.6988 7.5163 113.2875 57.6257 65.5055 172.8719 65 L 4.7192 9.3936 118.5802 55.1926 42.7616 176.3086 66 E 4.3930 8.1107 115.8922 56.8451 31.1912 176.3636 67 A 4.2133 8.2634 122.5154 51.1541 19.0992 177.1498 68 R 3.8451 8.6685 118.8076 56.6915 31.0243 176.4395 69 A 4.2687 8.8537 124.2543 54.4447 19.1810 177.2345 70 F 5.1458 8.2841 110.8042 55.6745 43.1355 174.6959 71 Q 4.3813 9.8380 124.3416 55.0517 30.2117 174.4357 72 S 4.9273 8.7331 122.6380 57.6913 63.4443 173.8866 73 T 4.4852 9.1259 126.5957 60.5690 68.6251 171.5493 74 P 4.5377 0.0000 0.0000 62.9890 32.2635 175.1935 75 I 4.5567 8.6014 124.5053 59.3714 39.3034 176.0676 76 V 3.7810 8.3811 126.5340 60.8126 31.2465 175.8135 77 V 4.0133 8.1983 125.8402 61.7610 31.6559 175.2993 78 Q 4.5081 8.2567 131.3884 55.7643 29.3773 175.4537 79 M 4.5284 7.9143 112.8971 55.3072 31.5197 175.5134 80 T 4.6986 9.4365 117.7110 61.7318 71.9347 173.1019 81 K 4.5489 8.6171 126.0602 55.5134 33.4795 175.5661 82 L 4.6793 9.1758 127.4956 53.6051 43.2137 175.8063 83 A 4.4295 8.8904 124.0715 53.6012 20.9403 176.9200 84 T 4.5421 7.8407 110.3125 60.3626 68.8461 174.7852 85 T 4.1380 8.3608 121.3047 63.3365 67.5295 174.9358 86 E 4.2306 7.8372 120.2473 58.5596 29.8781 176.9216 87 E 4.1864 7.8310 116.3307 57.9781 29.8910 177.0132 88 L 4.2172 7.1380 117.8169 53.3856 42.4654 174.9283 89 P 4.7187 0.0000 0.0000 62.0934 32.5165 176.1006 90 D 4.6657 8.5540 117.6514 56.1688 41.1847 177.0867 91 E 4.4880 8.0377 118.1331 54.6252 33.0566 174.0301 92 F 5.2135 7.7800 117.3721 56.4565 41.2728 173.2796 93 V 4.5083 8.6612 111.7041 59.6117 34.5600 175.6529 94 V 4.5991 8.2098 122.4231 61.3134 34.0005 175.7408 95 V 3.9291 8.9121 130.0137 62.1466 31.3476 174.2719 96 T 4.0480 8.3487 122.7291 62.2082 68.3614 175.3476 97 A 4.2773 7.5910 135.0000 51.4901 16.3707 177.3119 98 K 4.0569 7.7134 126.2634 56.7541 32.3642 176.2179 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 10 P 0.00 4.44 0.00 2.05 2.24 0.00 3.59 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 2.10 2.09 0.00 11 P 0.00 4.81 0.00 2.15 2.16 0.00 3.49 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 1.86 2.15 0.00 12 A 9.04 4.48 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 13 L 8.34 4.06 0.00 1.54 1.53 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.59 5.25 0.00 2.99 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 9.77 4.38 0.00 1.62 1.61 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 16 V 9.08 4.24 2.21 0.00 0.00 0.00 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 0.98 0.00 0.00 17 D 8.59 4.47 0.00 2.93 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 18 P 0.00 4.41 0.00 2.17 2.20 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 19 Q 8.27 4.11 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 20 I 7.82 4.58 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 1.31 0.69 0.93 0.00 0.00 21 Q 8.21 4.73 0.00 1.93 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.06 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 22 L 8.60 4.40 0.00 1.88 1.62 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.19 5.22 4.29 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 1.26 0.00 0.00 24 I 9.06 4.51 2.03 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 1.62 0.63 0.92 0.00 0.00 25 T 8.30 3.57 4.26 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 1.22 0.00 0.00 *39 D 8.40 4.16 0.00 2.84 2.83 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 40 P 0.00 4.17 0.00 2.14 2.24 0.00 3.72 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 2.00 2.14 0.00 41 K 7.89 4.28 0.00 2.11 2.17 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.79 7.81 42 V 7.79 5.41 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 1.05 0.00 0.00 0.93 0.00 0.00 43 Y 8.72 4.93 0.00 2.97 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 44 P 0.00 4.86 0.00 2.13 2.25 0.00 3.83 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.11 0.00 45 I 8.28 4.88 1.90 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 1.40 1.08 0.94 0.00 0.00 46 I 8.53 4.94 1.86 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.34 0.84 0.00 0.00 47 L 8.70 5.12 0.00 1.61 1.55 0.92 0.76 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 48 R 8.32 4.64 0.00 1.80 1.91 0.00 3.18 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 49 L 7.97 4.01 0.00 1.93 1.82 1.07 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.75 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 51 S 7.62 4.88 0.00 3.96 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 52 N 8.27 4.78 0.00 2.63 2.71 0.00 0.00 6.84 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 53 L 8.27 4.10 0.00 1.65 1.60 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.36 4.80 0.00 3.77 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 4.94 0.00 1.75 1.42 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.52 5.12 0.00 3.74 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.82 4.59 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 58 A 8.49 5.94 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 59 R 8.41 4.74 0.00 1.72 1.75 0.00 3.38 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 60 R 8.39 3.20 0.00 1.48 1.57 0.00 3.09 0.00 0.00 2.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.36 0.00 61 N 8.27 4.57 0.00 2.77 2.76 0.00 0.00 7.19 7.06 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 62 L 8.07 4.37 0.00 1.62 1.63 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.86 4.84 0.00 2.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.52 4.70 0.00 3.77 4.03 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 0.00 0.00 0.00 65 L 9.39 4.72 0.00 1.66 1.67 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.11 4.39 0.00 2.08 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 0.00 2.18 2.22 0.00 67 A 8.26 4.21 1.28 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 0.00 0.00 68 R 8.67 3.85 0.00 1.85 1.99 0.00 3.28 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 69 A 8.85 4.27 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.28 5.15 0.00 2.80 2.97 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 71 Q 9.84 4.38 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 72 S 8.73 4.93 0.00 3.95 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 73 T 9.13 4.49 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 74 P 0.00 4.54 0.00 1.93 2.03 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 75 I 8.60 4.56 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 1.29 0.77 0.92 0.00 0.00 76 V 8.38 3.78 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 0.69 0.00 0.00 0.93 0.00 0.00 77 V 8.20 4.01 2.07 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 0.79 0.00 0.00 0.93 0.00 0.00 78 Q 8.26 4.51 0.00 1.97 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 79 M 7.91 4.53 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 80 T 9.44 4.70 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 1.20 0.00 0.00 81 K 8.62 4.55 0.00 1.86 1.72 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.45 7.81 82 L 9.18 4.68 0.00 1.55 1.51 0.82 -0.07 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 83 A 8.89 4.43 1.25 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 0.00 0.00 84 T 7.84 4.54 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 1.31 0.00 0.00 85 T 8.36 4.14 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 1.24 0.00 0.00 86 E 7.84 4.23 0.00 2.01 1.95 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 2.32 2.29 0.00 87 E 7.83 4.19 0.00 2.00 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 2.33 2.35 0.00 88 L 7.14 4.22 0.00 1.84 1.56 0.78 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.72 0.00 2.27 2.10 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 90 D 8.55 4.67 0.00 2.68 2.74 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 91 E 8.04 4.49 0.00 1.92 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 2.19 2.29 0.00 92 F 7.78 5.21 0.00 3.20 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 93 V 8.66 4.51 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 0.41 0.00 0.00 1.06 0.00 0.00 94 V 8.21 4.60 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.26 0.00 0.00 95 V 8.91 3.93 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 0.89 0.00 0.00 0.95 0.00 0.00 96 T 8.35 4.05 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 97 A 7.59 4.28 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 98 K 7.71 4.06 0.00 1.73 1.79 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.