NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 G 3.8940 8.3549 109.7330 44.9070 0.0000 173.2466 19 R 3.9667 8.0345 118.4415 54.5440 30.5180 175.2990 20 T 4.7623 8.7054 109.6126 61.2649 72.4495 172.1926 21 N 5.3425 8.3036 122.2414 52.3630 40.8190 173.3566 22 L 5.2610 9.1584 126.0843 52.9837 45.3268 175.1339 23 I 4.3229 8.7161 123.5084 59.6730 40.0480 174.4324 24 V 4.6664 8.4471 129.1281 61.3871 33.7958 174.0494 25 N 4.8972 9.0809 125.6719 51.8950 41.5772 174.0617 26 Y 3.8399 8.0559 114.6236 59.3450 34.6875 170.1956 27 L 4.4166 7.9485 118.5670 53.4613 43.1571 176.0238 28 P 4.4734 0.0000 0.0000 62.3887 31.9631 177.6910 29 Q 4.0187 8.6702 122.5738 58.7625 29.1572 176.6075 30 N 4.6966 7.9698 112.6929 52.6669 37.9189 174.5278 31 M 4.3178 7.7883 120.5119 55.7763 32.9527 176.6291 32 T 4.3552 8.5043 116.8618 60.9391 71.5655 175.7394 33 Q 3.9514 8.4399 121.9109 59.3405 29.0186 177.7948 34 D 4.3072 8.0270 118.7672 57.1712 41.3419 177.9227 35 E 3.9824 8.2122 119.3167 59.0888 29.3852 178.8884 36 L 4.0502 7.9011 120.4067 58.3640 42.1784 179.0546 37 R 3.9251 8.2289 118.6789 59.4156 29.7495 178.5592 38 S 4.1098 8.2804 114.4326 61.5100 63.0488 175.7930 39 L 4.0365 7.9529 122.9209 58.6351 41.6679 179.0705 40 F 4.2083 8.2506 116.0624 59.6199 38.9157 177.5874 41 S 4.8307 8.5606 116.0650 59.6561 62.5122 175.8877 42 S 4.1962 7.7681 116.5712 60.3232 62.8207 175.3777 43 I 4.3115 7.5639 122.9986 61.2820 38.1550 175.3645 44 G 4.0450 7.1321 105.6047 44.8833 0.0000 170.4821 45 E 4.1841 8.1937 120.5639 56.2555 30.5262 175.7805 46 V 4.3995 8.3882 127.6436 61.6652 32.1583 175.1720 47 E 4.5032 9.1766 126.8569 57.9678 30.8978 176.6081 48 S 4.7663 7.7204 112.7135 56.8014 66.9363 173.3976 49 A 4.9515 8.3051 122.8755 50.9691 21.7899 175.6146 50 K 4.5388 9.1403 122.3372 54.5642 35.9283 175.0871 51 L 4.6186 8.3870 126.6860 53.3798 43.6393 175.6676 52 I 3.8667 8.2531 128.4828 60.9602 37.8398 175.2314 53 R 4.5721 8.3600 127.1044 54.1552 32.4593 174.8098 *60 S 4.1234 8.3889 117.2103 58.5056 62.9606 173.1501 61 L 4.4429 9.1022 127.3379 54.5423 41.7098 177.4217 62 G 4.0353 9.1963 107.0717 45.6729 0.0000 172.4405 63 Y 5.2227 7.3585 116.1877 55.7366 41.8147 173.5674 64 G 4.2794 8.8138 106.9131 45.2134 0.0000 171.3184 65 F 5.3668 8.9644 117.6279 55.4408 43.0426 174.9067 66 V 4.5203 8.7353 122.2347 61.1097 34.6087 173.3785 67 N 5.3807 9.0445 127.6500 52.2246 40.5555 173.8000 68 Y 4.6300 8.8779 124.5700 57.4353 38.9079 176.1644 69 V 3.9708 8.7468 122.0008 65.3927 32.1921 176.5400 70 T 4.7198 7.9006 108.8739 59.1607 71.5759 174.6662 71 A 4.2174 8.6053 125.0704 55.2562 18.3356 180.2248 72 K 3.8689 8.0557 116.5300 59.8892 31.7164 179.0401 73 D 4.0947 7.8643 118.2565 57.0802 40.6570 178.5857 74 A 3.6635 7.4426 121.0244 55.1173 18.4955 179.2750 75 E 3.8349 8.2816 117.6911 59.4840 29.7156 179.0384 76 R 3.8411 8.2126 118.7574 59.1302 30.0267 178.3298 77 A 3.9317 8.0921 120.9747 55.1230 18.3264 179.3996 78 I 3.6179 7.5554 118.2752 64.9419 37.0468 178.4927 79 N 4.4420 7.9006 114.7180 55.6762 38.3633 176.8154 80 T 4.2802 7.5675 116.1322 64.7035 69.9173 176.0459 81 L 4.4317 8.4021 119.5827 53.8365 42.8602 176.2582 82 N 4.4576 7.2739 117.8489 55.2180 39.1294 174.9573 83 G 3.9685 8.9454 114.5545 44.9448 0.0000 173.3865 84 L 3.9449 7.6439 122.7419 54.8675 42.4204 175.7690 85 R 4.4625 8.5219 126.8450 55.7791 30.9298 175.2923 86 L 4.6505 9.0032 125.6728 53.5947 44.4439 178.1092 87 Q 3.4052 8.4519 126.0283 57.3178 27.6455 175.6200 88 S 4.5959 9.0561 121.3598 59.1669 63.8783 173.6118 89 K 4.6937 7.8475 120.3310 55.0245 36.2906 175.3609 90 T 4.8743 8.4230 120.3570 62.6121 69.2327 174.9006 91 I 4.4069 8.9060 121.3371 60.6545 39.6947 174.6681 92 K 5.0325 8.9819 125.1539 54.7027 34.6829 174.7912 93 V 5.0149 8.8156 127.3513 61.2327 33.9420 174.5095 94 S 4.4824 8.6399 121.0509 57.2230 66.9917 173.0490 95 Y 4.7343 8.3029 117.8000 58.1479 37.4925 177.0075 96 A 4.2906 9.2221 127.4925 54.4128 18.8764 178.1001 97 R 4.6862 7.7864 114.0533 53.3719 32.2498 174.3477 98 P 4.4591 0.0000 0.0000 63.1962 31.1304 176.0604 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 18 G 8.35 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 19 R 8.03 3.97 0.00 1.30 1.81 0.00 2.98 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 20 T 8.71 4.76 4.58 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 1.29 0.00 0.00 21 N 8.30 5.34 0.00 3.03 2.81 0.00 0.00 7.01 6.66 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 22 L 9.16 5.26 0.00 1.48 1.58 1.19 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.72 4.32 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.79 0.95 0.00 0.00 24 V 8.45 4.67 1.91 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 1.14 0.00 0.00 0.55 0.00 0.00 25 N 9.08 4.90 0.00 1.82 1.42 0.00 0.00 6.64 7.44 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 26 Y 8.06 3.84 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 4.42 0.00 1.67 1.62 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.47 0.00 2.23 1.99 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 29 Q 8.67 4.02 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 30 N 7.97 4.70 0.00 2.87 2.91 0.00 0.00 5.98 7.66 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 31 M 7.79 4.32 0.00 2.03 2.07 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 2.63 2.49 0.00 32 T 8.50 4.36 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 33 Q 8.44 3.95 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 34 D 8.03 4.31 0.00 2.83 2.65 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 35 E 8.21 3.98 0.00 2.24 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 2.32 0.00 36 L 7.90 4.05 0.00 1.80 1.88 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.23 3.93 0.00 1.90 2.05 0.00 3.14 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 38 S 8.28 4.11 0.00 4.02 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 39 L 7.95 4.04 0.00 1.77 1.90 0.80 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.25 4.21 0.00 3.13 3.12 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 0.00 0.00 0.00 0.00 41 S 8.56 4.83 0.00 4.02 3.94 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 42 S 7.77 4.20 0.00 3.98 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 43 I 7.56 4.31 2.15 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.89 0.82 0.00 0.00 44 G 7.13 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.19 4.18 0.00 2.13 1.93 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 2.41 2.34 0.00 46 V 8.39 4.40 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 0.77 0.00 0.00 0.56 0.00 0.00 47 E 9.18 4.50 0.00 1.94 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 2.26 2.42 0.00 48 S 7.72 4.77 0.00 3.82 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 49 A 8.31 4.95 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.14 4.54 0.00 1.74 1.67 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.33 7.81 51 L 8.39 4.62 0.00 1.57 1.50 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.25 3.87 0.76 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 0.58 -0.17 0.81 0.00 0.00 53 R 8.36 4.57 0.00 1.69 1.75 0.00 3.25 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 *60 S 8.39 4.12 0.00 3.88 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 9.10 4.44 0.00 1.84 1.89 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 62 G 9.20 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 7.36 5.22 0.00 2.91 2.82 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 0.00 0.00 0.00 64 G 8.81 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 0.00 0.00 0.00 0.00 65 F 8.96 5.37 0.00 2.90 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.74 4.52 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.28 0.00 0.00 67 N 9.04 5.38 0.00 2.93 2.71 0.00 0.00 6.76 7.12 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 68 Y 8.88 4.63 0.00 3.09 3.05 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 0.00 0.00 0.00 69 V 8.75 3.97 2.17 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 0.79 0.00 0.00 1.00 0.00 0.00 70 T 7.90 4.72 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 1.26 0.00 0.00 71 A 8.61 4.22 1.36 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 0.00 0.00 0.00 72 K 8.06 3.87 0.00 1.80 1.86 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.55 7.81 73 D 7.86 4.09 0.00 2.60 2.18 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 74 A 7.44 3.66 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 75 E 8.28 3.83 0.00 2.17 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 2.39 0.00 76 R 8.21 3.84 0.00 1.93 1.90 0.00 3.11 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 77 A 8.09 3.93 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.56 3.62 1.85 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.28 0.80 0.00 0.00 79 N 7.90 4.44 0.00 2.70 2.86 0.00 0.00 7.08 7.29 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 80 T 7.57 4.28 4.18 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 1.16 0.00 0.00 81 L 8.40 4.43 0.00 1.60 1.43 0.09 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 82 N 7.27 4.46 0.00 2.71 2.77 0.00 0.00 7.39 9.28 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 83 G 8.95 3.97 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 0.00 0.00 0.00 84 L 7.64 3.94 0.00 1.74 1.65 0.90 0.52 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 85 R 8.52 4.46 0.00 1.81 1.82 0.00 3.22 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 86 L 9.00 4.65 0.00 1.68 1.57 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.45 3.41 0.00 2.20 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 88 S 9.06 4.60 0.00 3.96 3.97 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 89 K 7.85 4.69 0.00 1.76 1.80 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.38 7.81 90 T 8.42 4.87 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 1.28 0.00 0.00 91 I 8.91 4.41 1.96 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 1.38 0.64 1.02 0.00 0.00 92 K 8.98 5.03 0.00 1.97 1.46 0.00 1.67 0.00 0.00 1.45 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.39 7.81 93 V 8.82 5.01 2.15 0.00 0.00 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 1.15 0.00 0.00 94 S 8.64 4.48 0.00 3.91 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 95 Y 8.30 4.73 0.00 2.98 3.03 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 96 A 9.22 4.29 1.58 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 0.00 0.00 97 R 7.79 4.69 0.00 1.80 1.85 0.00 3.37 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 1.57 1.53 0.00 98 P 0.00 4.46 0.00 2.19 2.07 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.