NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9293 8.3549 109.7367 45.1192 0.0000 174.3570 3 K 3.9865 8.3193 118.5660 54.5240 33.9914 171.2576 4 V 4.4857 8.6237 122.0286 61.4096 35.5326 173.5352 5 Y 5.0256 8.8617 124.3411 56.1273 40.9700 174.7116 6 K 4.5020 8.2743 122.6365 54.4955 35.3050 174.7641 7 K 5.0361 8.4766 125.0564 54.6204 34.5601 175.6971 8 V 4.4486 8.6471 123.5879 61.0447 35.0286 173.7287 9 E 5.0193 8.8923 128.5559 55.0900 30.3343 174.7520 10 L 4.8693 8.9445 127.1837 52.8344 45.7852 176.0614 11 V 4.6222 8.3164 120.4424 61.2310 33.5410 174.8708 12 G 4.5083 8.9672 116.5730 44.8467 0.0000 171.8252 13 T 5.3500 8.1647 113.7357 60.2033 72.1049 173.0642 14 S 4.6664 8.7236 115.1862 57.9569 65.9098 175.4349 15 E 4.6775 9.0459 124.3293 57.7401 30.1411 177.7005 16 E 4.1844 8.2915 118.6180 57.7814 30.2655 176.3648 17 G 3.4149 7.1357 104.5905 44.0570 0.0000 173.6924 18 L 3.7627 7.3426 118.1584 57.8204 41.5144 179.4145 19 E 3.8925 8.0427 117.7808 59.4888 29.4291 179.2319 20 A 3.9492 7.8809 119.9652 54.8794 18.5861 179.4422 21 A 3.9309 7.7435 119.0082 55.3176 18.4697 179.9198 22 I 3.5149 7.6320 118.3288 64.6913 37.0952 178.7715 23 Q 3.9042 8.1681 118.6062 58.5974 28.4797 178.6955 24 A 3.9073 8.0951 121.7106 55.0636 18.4701 179.5001 25 A 3.8791 7.8164 118.6659 55.4646 18.5601 179.7928 26 L 3.8881 7.8269 117.2183 57.6666 41.3861 179.6170 27 A 3.9851 8.0056 120.4955 54.8601 18.4288 179.4207 28 R 3.9202 7.8813 116.7500 59.3881 30.2009 178.3979 29 A 3.8749 7.9673 120.6308 55.3205 17.3019 179.6275 30 R 3.9644 7.9226 116.8763 59.3281 29.8362 178.8534 31 K 4.2236 7.7172 117.4014 58.7473 32.0074 177.8503 32 T 4.4085 7.2435 113.7739 63.3753 71.0598 174.1299 33 L 4.4828 8.0017 120.1122 52.7742 43.6263 175.9207 34 R 4.5107 7.9233 119.9085 55.4542 33.0635 174.8898 35 H 4.1680 8.4628 113.1808 56.7777 26.1811 175.2214 36 L 4.4792 8.1449 118.8722 55.4933 42.0599 175.5836 37 D 5.2063 9.2321 122.5521 55.1519 42.9283 176.3672 38 W 5.5701 7.8950 113.5356 54.8947 32.0801 172.9852 39 F 5.4299 8.5165 114.3158 55.2828 41.1503 173.9114 40 E 4.6888 9.4360 119.0320 54.6496 33.2808 175.0400 41 V 4.1937 8.7239 125.5043 63.0553 31.6483 175.4961 42 K 4.5089 9.1265 128.5876 58.4892 33.0648 176.8498 43 E 4.7952 7.8594 115.0753 55.3649 32.9033 174.0635 44 I 4.8551 8.3748 121.4847 60.0054 39.5897 174.8906 45 R 4.7538 9.4605 126.4731 54.9987 34.6860 174.1590 46 G 4.2389 7.7914 106.5331 47.2727 0.0000 171.9995 47 T 4.8134 7.8379 109.6774 59.8422 71.9756 173.3861 48 I 4.7748 8.2524 122.4253 59.8020 39.6570 175.4320 49 G 4.3101 8.8033 116.2476 44.0148 0.0000 172.5434 50 E 3.8750 8.9333 118.5442 58.5207 29.8097 178.2571 51 A 4.6649 8.0118 119.7228 51.8127 20.5453 176.4151 52 G 4.0102 7.3784 107.1213 45.1021 0.0000 176.6115 53 V 3.7991 8.2156 124.3016 62.9832 31.8188 174.4909 54 K 4.3441 8.5809 127.9241 57.5813 33.7683 176.0836 55 E 4.7283 7.5510 120.4115 54.7098 33.1344 173.6250 56 Y 4.6697 9.3436 125.6523 57.8478 39.8372 174.8660 57 Q 4.8314 9.3833 122.2527 54.3693 32.5316 174.6166 58 V 4.5939 8.6600 126.2733 61.1591 32.9381 175.0390 59 V 4.3281 8.6662 129.8188 62.6393 32.7940 174.6588 60 L 5.1657 8.9947 128.9602 53.6255 46.0451 174.2206 61 E 5.0324 9.6518 125.8471 54.7803 31.9166 174.8744 62 V 4.5517 8.9349 125.2373 61.0080 34.0252 174.2734 63 G 3.1899 8.2157 116.0377 43.9913 0.0000 172.3315 64 F 5.6320 8.3599 118.6672 54.8812 41.9166 173.7367 65 R 4.1199 8.8636 121.8737 56.1021 30.5157 176.0688 66 L 4.3690 8.2515 126.8970 54.5961 42.5058 177.1395 67 E 4.0630 8.7148 122.7113 56.1662 30.6914 172.7601 68 E 3.3990 8.5391 128.1406 56.8933 27.1442 174.6643 *69 T 4.1630 8.2081 116.1563 60.7974 69.2274 171.9229 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 G 8.35 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 3 K 8.32 3.99 0.00 1.80 1.40 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.50 7.81 4 V 8.62 4.49 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 1.01 0.00 0.00 0.91 0.00 0.00 5 Y 8.86 5.03 0.00 3.00 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 6 K 8.27 4.50 0.00 1.44 0.74 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.16 1.26 7.81 7 K 8.48 5.04 0.00 1.64 1.65 0.00 2.06 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.11 1.34 7.81 8 V 8.65 4.45 2.26 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 1.00 0.00 0.00 1.10 0.00 0.00 9 E 8.89 5.02 0.00 2.03 1.86 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 2.23 2.45 0.00 10 L 8.94 4.87 0.00 1.56 1.49 0.87 0.63 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 11 V 8.32 4.62 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 0.81 0.00 0.00 0.94 0.00 0.00 12 G 8.97 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 5.35 4.35 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 1.25 0.00 0.00 14 S 8.72 4.67 0.00 3.91 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 15 E 9.05 4.68 0.00 2.03 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 2.41 2.34 0.00 16 E 8.29 4.18 0.00 1.98 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 2.40 0.00 17 G 7.14 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.34 3.76 0.00 1.53 1.62 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.04 3.89 0.00 1.98 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 2.38 2.43 0.00 20 A 7.88 3.95 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 21 A 7.74 3.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.63 3.51 1.87 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 1.41 0.57 0.38 0.00 0.00 23 Q 8.17 3.90 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 24 A 8.10 3.91 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 25 A 7.82 3.88 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 26 L 7.83 3.89 0.00 1.60 1.64 0.58 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.01 3.99 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 28 R 7.88 3.92 0.00 1.91 2.04 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 7.97 3.87 1.26 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 0.00 0.00 0.00 30 R 7.92 3.96 0.00 1.87 2.12 0.00 3.08 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 K 7.72 4.22 0.00 1.88 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.64 7.81 32 T 7.24 4.41 4.16 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 0.00 0.00 0.00 1.10 0.00 0.00 33 L 8.00 4.48 0.00 1.28 0.82 0.36 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.92 4.51 0.00 1.67 1.48 0.00 3.29 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 35 H 8.46 4.17 0.00 3.65 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.14 4.48 0.00 1.66 1.66 0.85 0.93 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 37 D 9.23 5.21 0.00 3.09 3.08 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 38 W 7.90 5.57 0.00 3.25 3.18 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 39 F 8.52 5.43 0.00 3.02 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 40 E 9.44 4.69 0.00 1.95 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 2.43 2.51 0.00 41 V 8.72 4.19 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 0.83 0.00 0.00 1.13 0.00 0.00 42 K 9.13 4.51 0.00 1.81 1.87 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.56 7.81 43 E 7.86 4.80 0.00 2.02 2.02 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 2.29 2.35 0.00 44 I 8.37 4.86 1.92 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 1.39 0.72 1.00 0.00 0.00 45 R 9.46 4.75 0.00 1.68 1.82 0.00 3.42 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 46 G 7.79 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 0.00 0.00 0.00 0.00 47 T 7.84 4.81 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 48 I 8.25 4.77 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.89 0.00 0.00 49 G 8.80 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 0.00 0.00 0.00 0.00 50 E 8.93 3.87 0.00 1.93 1.98 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 2.28 2.30 0.00 51 A 8.01 4.66 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 52 G 7.38 4.01 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 0.00 53 V 8.22 3.80 1.80 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 -0.38 0.00 0.00 0.72 0.00 0.00 54 K 8.58 4.34 0.00 1.81 1.81 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.32 7.81 55 E 7.55 4.73 0.00 2.13 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 56 Y 9.34 4.67 0.00 3.07 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 57 Q 9.38 4.83 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 58 V 8.66 4.59 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 0.94 0.00 0.00 0.95 0.00 0.00 59 V 8.67 4.33 2.19 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 0.96 0.00 0.00 0.95 0.00 0.00 60 L 8.99 5.17 0.00 1.91 1.52 1.05 0.55 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 61 E 9.65 5.03 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 62 V 8.93 4.55 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 0.95 0.00 0.00 0.90 0.00 0.00 63 G 8.22 3.19 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 0.00 0.00 0.00 64 F 8.36 5.63 0.00 3.34 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 65 R 8.86 4.12 0.00 1.90 1.91 0.00 2.95 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.07 0.00 66 L 8.25 4.37 0.00 1.60 1.55 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.71 4.06 0.00 1.99 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 2.35 2.41 0.00 68 E 8.54 3.40 0.00 2.11 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 2.16 2.28 0.00 *69 T 8.21 4.16 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 * Residues marked with a * may have inaccurate shift predictions.