NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4772 8.1633 118.3249 55.0351 33.3767 174.2247 2 Q 4.4456 8.3467 120.5044 54.0192 30.1379 173.5295 3 I 4.6617 9.1423 117.3478 59.0806 42.2943 173.4917 4 F 5.2364 9.0509 122.2577 55.8217 41.6528 174.8726 5 V 4.6899 8.8551 123.7598 61.0697 33.8205 174.1655 6 K 4.9069 9.0106 131.5266 55.2699 33.0733 176.2774 7 T 4.4527 8.7082 118.4398 61.1364 69.7394 175.5046 8 L 4.2966 8.3510 121.7874 56.2983 41.8804 177.6663 9 T 4.2327 7.3982 108.5266 61.7513 68.9793 174.9162 10 G 4.3338 8.1169 117.0203 45.7300 0.0000 174.3445 11 K 3.8984 7.1066 120.9205 56.9399 33.3475 174.8995 12 T 5.0132 8.4511 122.0844 61.9100 70.9904 173.3642 13 I 4.3962 8.9723 127.9841 60.3448 39.2019 174.7342 14 T 4.8368 8.5428 123.4225 61.9685 70.0617 173.9500 15 L 4.7231 8.4833 126.1081 52.7575 45.3457 175.1876 16 E 4.7479 8.6324 123.5382 55.1711 30.3733 175.1466 17 V 4.7176 8.6321 119.7252 59.7666 36.2570 174.5762 18 E 4.7218 8.6415 119.6438 53.9641 32.0848 176.1982 19 P 4.1785 0.0000 0.0000 65.6269 31.6048 178.6774 20 S 4.1797 7.9294 110.9912 59.9114 63.7518 174.3064 21 D 4.3700 8.1364 122.9353 54.8257 41.2714 176.5575 22 T 4.4956 8.3351 114.0343 61.4661 70.8909 175.2518 23 I 3.6881 8.6803 123.7399 64.9824 37.1516 178.4137 24 E 3.9643 8.1856 119.4652 59.2021 29.4689 178.4796 25 N 4.3340 8.3991 116.8469 56.1980 38.5052 177.6063 26 V 3.5213 7.5658 119.0476 66.0559 31.6215 178.3236 27 K 4.1483 8.6580 119.6451 58.7166 31.7851 179.2728 28 A 4.0024 8.0927 121.2668 55.0863 18.2183 179.8345 29 K 4.4749 7.8558 118.2709 59.1160 32.0458 179.6814 30 I 3.7253 7.9863 120.4261 64.3278 36.9733 178.2153 31 Q 4.2068 7.8348 120.6335 59.2152 28.8870 178.0233 32 D 4.3602 8.0838 120.1142 56.8002 40.5675 178.5483 33 K 4.1280 7.6939 118.0356 58.0749 32.4817 178.0378 34 E 4.6158 8.7367 116.8960 54.9795 30.7503 177.7724 35 G 4.0793 8.0182 106.4777 45.5676 0.0000 173.5705 36 I 3.9500 7.0899 121.0038 59.7909 37.7146 174.3994 37 P 4.3556 0.0000 0.0000 61.9930 31.9832 175.5759 38 P 4.2612 0.0000 0.0000 65.7839 31.3820 177.7234 39 D 4.6422 8.0939 113.8275 54.4764 39.3841 175.9254 40 Q 4.5709 8.2557 120.5722 56.0925 30.6831 174.2699 41 Q 5.0551 7.9647 117.8994 55.0767 31.3667 174.6238 42 R 4.7194 9.1039 123.1046 54.4533 32.8575 174.7450 43 L 5.1095 8.4681 124.1157 53.3462 44.1556 175.4762 44 I 5.0337 8.9127 124.3347 59.5275 40.3172 174.4889 45 F 5.0607 9.0042 128.0730 56.9395 43.1197 174.1597 46 A 3.5853 8.6936 127.7669 53.2806 15.7668 177.1712 47 G 3.9269 8.4163 103.0561 47.0220 0.0000 174.0583 48 K 4.6365 7.7467 117.2626 54.3420 36.2339 175.4304 49 Q 4.7755 8.5378 121.8350 55.3065 29.6685 175.5060 50 L 3.9817 8.5393 125.0956 54.3274 42.6553 176.3501 51 E 4.3925 9.7675 124.0055 55.5590 30.9330 176.8677 52 D 4.3766 9.2579 125.1868 57.8030 40.9578 178.8559 53 G 3.8864 8.0527 103.4172 45.8631 0.0000 173.3852 54 R 4.4182 8.1927 120.6695 54.9913 31.8759 175.0837 55 T 5.0854 8.2932 108.5696 59.5149 71.6609 175.4564 56 L 4.0798 8.4862 122.1755 58.1031 41.5261 179.9878 57 S 4.1510 8.3740 114.3526 61.7355 62.4738 176.1412 58 D 4.4225 7.7635 120.8903 55.9647 39.4106 176.9465 59 Y 4.7021 7.7185 115.7377 56.5496 38.7384 175.4716 60 N 4.3515 8.0424 117.0077 54.3935 37.9860 174.0010 61 I 3.3529 7.1244 117.6752 60.8647 36.7075 175.3442 62 Q 4.6748 8.1121 126.1963 53.1465 31.3635 175.1619 63 K 3.8649 8.3736 117.2572 59.1844 32.4804 176.3265 64 E 3.9957 9.0140 121.4658 56.6641 29.0793 174.3097 65 S 4.5373 7.7912 113.4071 59.1442 64.1646 173.1776 66 T 5.2455 8.7782 119.7663 62.0732 70.3338 173.7899 67 L 5.0961 9.3709 126.6649 53.6420 44.8813 175.1373 68 H 5.3524 8.8994 117.9079 54.0985 31.7211 173.1708 69 L 5.1438 8.2490 123.4772 53.3804 43.8696 175.7008 70 V 4.6000 8.9694 125.6478 61.0314 35.0734 173.8426 71 L 5.3019 8.3025 124.6389 52.9282 44.0134 176.7152 72 R 4.2814 9.0527 122.9863 56.0565 31.0437 175.7313 73 L 4.5910 8.3359 122.8965 53.4918 45.0883 177.6939 *74 R 4.1415 8.3405 116.6865 56.7096 30.0397 174.0544 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 M 8.16 4.48 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.71 0.00 2 Q 8.35 4.45 0.00 1.97 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 3 I 9.14 4.66 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.99 0.77 0.00 0.00 4 F 9.05 5.24 0.00 2.98 2.99 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 5 V 8.86 4.69 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 0.91 0.00 0.00 0.91 0.00 0.00 6 K 9.01 4.91 0.00 1.78 1.43 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.37 7.81 7 T 8.71 4.45 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 8 L 8.35 4.30 0.00 1.67 1.77 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.40 4.23 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 10 G 8.12 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.11 3.90 0.00 1.88 1.73 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.47 7.81 12 T 8.45 5.01 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 1.34 0.00 0.00 13 I 8.97 4.40 1.89 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 1.43 0.80 0.91 0.00 0.00 14 T 8.54 4.84 4.27 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 1.03 0.00 0.00 15 L 8.48 4.72 0.00 1.45 1.45 0.87 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.63 4.75 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 17 V 8.63 4.72 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 0.68 0.00 0.00 0.87 0.00 0.00 18 E 8.64 4.72 0.00 2.01 1.78 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 0.00 2.19 2.37 0.00 19 P 0.00 4.18 0.00 2.15 2.09 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 20 S 7.93 4.18 0.00 3.96 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 21 D 8.14 4.37 0.00 2.81 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 4.50 4.42 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 1.22 0.00 0.00 23 I 8.68 3.69 2.25 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 1.01 0.00 0.00 24 E 8.19 3.96 0.00 2.08 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 2.31 2.35 0.00 25 N 8.40 4.33 0.00 2.96 2.85 0.00 0.00 6.62 7.36 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 26 V 7.57 3.52 2.22 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 0.99 0.00 0.00 0.92 0.00 0.00 27 K 8.66 4.15 0.00 1.81 1.85 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.51 7.81 28 A 8.09 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.47 0.00 2.00 1.85 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.49 7.81 30 I 7.99 3.73 2.13 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 1.39 0.75 0.91 0.00 0.00 31 Q 7.83 4.21 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 32 D 8.08 4.36 0.00 2.96 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 33 K 7.69 4.13 0.00 1.67 1.85 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.62 7.81 34 E 8.74 4.62 0.00 2.00 1.94 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 2.22 2.43 0.00 35 G 8.02 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 0.00 0.00 0.00 36 I 7.09 3.95 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 1.30 0.58 0.91 0.00 0.00 37 P 0.00 4.36 0.00 2.29 1.98 0.00 3.61 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.26 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 39 D 8.09 4.64 0.00 2.76 2.78 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 0.00 0.00 0.00 0.00 40 Q 8.26 4.57 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 41 Q 7.96 5.06 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.60 0.00 42 R 9.10 4.72 0.00 1.69 1.82 0.00 3.11 0.00 0.00 3.44 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 43 L 8.47 5.11 0.00 1.54 1.54 0.89 0.74 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 44 I 8.91 5.03 1.91 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 1.11 1.00 0.90 0.00 0.00 45 F 9.00 5.06 0.00 2.99 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 46 A 8.69 3.59 1.01 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 47 G 8.42 3.93 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 0.00 0.00 0.00 48 K 7.75 4.64 0.00 1.92 1.71 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.67 7.81 49 Q 8.54 4.78 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 L 8.54 3.98 0.00 1.35 1.19 0.65 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.77 4.39 0.00 2.03 1.94 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 2.35 2.39 0.00 52 D 9.26 4.38 0.00 2.80 2.77 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 53 G 8.05 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.19 4.42 0.00 2.04 1.92 0.00 3.23 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 1.76 1.82 0.00 55 T 8.29 5.09 4.47 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 1.21 0.00 0.00 56 L 8.49 4.08 0.00 1.87 1.70 0.88 0.86 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 57 S 8.37 4.15 0.00 4.01 4.19 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 58 D 7.76 4.42 0.00 2.41 2.32 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 59 Y 7.72 4.70 0.00 3.07 2.99 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 60 N 8.04 4.35 0.00 2.93 3.06 0.00 0.00 7.14 7.73 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 61 I 7.12 3.35 1.83 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.04 0.61 0.00 0.00 62 Q 8.11 4.67 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 63 K 8.37 3.86 0.00 1.85 1.83 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.47 7.81 64 E 9.01 4.00 0.00 2.19 2.24 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 2.34 2.69 0.00 65 S 7.79 4.54 0.00 3.77 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.78 5.25 4.36 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 0.00 0.00 1.30 0.00 0.00 67 L 9.37 5.10 0.00 1.74 1.60 0.76 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.90 5.35 0.00 3.16 3.21 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.25 5.14 0.00 1.61 1.54 0.98 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.97 4.60 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 0.92 0.00 0.00 0.94 0.00 0.00 71 L 8.30 5.30 0.00 1.53 1.54 0.93 0.98 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 72 R 9.05 4.28 0.00 1.65 1.86 0.00 3.11 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 73 L 8.34 4.59 0.00 1.59 1.57 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *74 R 8.34 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.