NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 G 3.9479 8.3549 109.7371 44.7391 0.0000 173.9581 11 S 3.8924 8.0242 116.5255 57.5175 63.1834 168.6533 12 V 4.2644 8.4048 126.0021 60.5871 33.3107 174.7409 13 A 4.1907 8.4889 130.6044 50.9865 18.9470 174.9282 14 P 4.3876 0.0000 0.0000 64.3080 31.7600 177.0431 15 G 4.0000 8.9509 110.9068 45.2701 0.0000 173.3240 16 Q 4.2816 7.6652 120.1686 55.0366 29.9687 174.9715 17 L 4.5605 7.9503 123.7111 53.0069 43.6684 176.2358 18 D 4.5185 8.0527 120.0467 54.3845 41.4407 176.7500 19 D 4.2261 8.4248 121.3584 56.9073 41.4095 176.1431 20 Y 4.9903 7.9981 114.7078 56.4477 43.0010 173.9750 21 Y 4.5819 8.9090 118.6283 56.9427 39.4274 175.3331 22 G 4.2913 9.0779 111.6627 44.4528 0.0000 172.0555 23 F 5.4116 8.9809 123.7926 55.8378 40.7644 174.7975 24 W 4.8035 9.7699 125.2627 55.2644 31.1294 176.8809 25 S 5.0156 8.5230 118.6744 57.5606 64.5907 173.9543 26 S 4.7316 8.2328 109.8715 57.0679 65.3486 174.8417 27 G 3.7708 8.0247 111.7691 46.7787 0.0000 177.0374 28 Q 4.1575 8.8820 122.5074 57.9726 28.3566 177.7105 29 S 4.1644 8.1149 115.1245 59.6673 63.1669 175.3508 30 G 4.1302 8.7656 108.0797 45.7498 0.0000 172.2771 31 E 5.0343 8.2114 116.6856 54.4070 32.9128 174.5912 32 M 4.8704 8.6398 119.3987 53.9314 34.8665 174.6362 33 R 5.1566 9.1984 124.0518 54.5009 34.2193 174.6970 34 I 4.9745 8.8935 123.3338 59.7918 39.5584 174.8791 35 L 4.9192 9.3433 127.7111 52.7480 45.3626 175.5247 36 G 4.2257 8.7711 108.7542 44.7719 0.0000 172.5962 37 I 4.8860 8.4010 126.4418 58.7938 39.7130 174.4194 38 P 4.8436 0.0000 0.0000 62.6778 31.5259 176.9883 39 S 4.1780 7.8451 116.1017 60.2186 62.9793 175.1539 40 M 2.9809 8.6457 118.7738 55.6159 29.9255 176.6023 41 R 4.0973 7.4401 118.2793 55.7532 31.7298 175.5905 42 E 4.4430 8.4751 124.2502 55.7527 29.3188 175.9843 43 L 4.2440 8.9605 129.1340 57.7875 42.5967 177.0480 44 M 4.7148 7.6547 115.6522 54.6204 35.8610 173.4609 45 R 5.0080 8.5104 121.1245 54.2725 33.4562 175.1870 46 V 4.2538 8.7954 124.5635 60.0815 33.5614 172.9607 47 P 4.1430 0.0000 0.0000 63.1620 31.3737 174.8533 48 V 3.8117 8.2713 121.0015 62.8426 32.4081 175.4844 49 F 5.2448 8.8252 120.6282 57.4912 40.0247 175.3519 50 N 4.8681 8.2019 116.1326 51.2474 39.0857 174.4213 51 R 4.4053 8.4124 119.7253 55.3786 30.4775 175.6730 52 C 4.4691 8.8438 127.6258 57.9093 30.9329 173.8571 53 S 4.1116 8.7248 122.8947 61.1498 62.4215 175.5925 54 A 4.1620 8.1784 122.5269 55.0988 18.3132 178.3113 55 T 4.2260 7.9851 102.7537 61.7839 69.8208 175.8100 56 G 3.9366 8.5287 111.2550 44.7804 0.0000 172.9403 57 W 4.2528 7.8702 131.0512 58.8033 30.8562 176.6878 58 G 3.9461 8.6063 114.6070 45.1800 0.0000 173.6536 59 Q 4.3447 8.0103 118.7399 56.5071 31.4167 176.5448 60 T 4.1144 7.5374 107.5870 61.4330 70.9245 175.0186 61 N 4.2679 8.5937 119.9441 56.4598 38.1246 177.6450 62 E 3.9496 8.0482 119.9201 59.3409 29.6769 179.3718 63 S 3.4836 7.6358 114.5044 61.0938 62.9548 176.5248 64 V 3.4453 7.7881 122.2023 65.5988 31.2780 177.9354 65 R 3.8376 7.8588 118.3598 59.5392 29.7102 178.6124 66 I 3.7333 7.0341 117.1779 64.5356 37.1290 177.9205 67 H 4.3406 7.8243 115.9539 59.0937 29.1018 177.5596 68 E 4.1553 8.6645 119.7365 57.8939 29.0693 178.9830 69 R 3.8620 7.3255 119.5089 59.3464 30.0234 177.0807 70 T 4.5481 7.6634 103.1448 61.2614 69.1742 173.7395 71 M 4.1356 7.7471 122.6363 55.7387 32.4237 176.7380 72 S 4.2609 8.4113 118.0839 58.1220 64.5276 174.4304 *860 E 4.2606 8.5996 121.0307 56.5063 31.2493 178.1048 861 R 3.9568 7.9977 117.1494 59.6286 30.1576 178.9672 862 T 3.9333 7.8743 115.4057 66.5526 68.4845 176.5561 863 K 3.9812 8.2893 121.5679 59.5492 32.3134 179.0470 864 K 4.0262 8.4531 119.0718 59.1993 32.0915 179.1326 865 F 4.1612 8.5793 121.2828 61.3833 39.3727 177.2409 866 L 3.7806 8.1602 118.3390 57.5732 41.4655 179.2596 867 A 3.9549 7.9407 120.4812 55.1572 18.1245 179.4197 868 A 4.0879 7.7089 117.2349 53.9460 18.3805 177.9408 869 N 4.6246 6.9041 112.7598 52.5237 38.9120 174.8416 870 G 3.9009 7.8092 105.0829 46.6430 0.0000 174.3073 871 K 4.6501 8.2782 117.3979 54.2370 35.5945 176.2462 872 R 4.3792 8.5408 120.6552 57.2046 31.4391 176.1933 873 I 4.1915 7.3598 114.6767 61.0015 37.6505 174.5480 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 G 8.35 3.95 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 0.00 0.00 0.00 11 S 8.02 3.89 0.00 3.94 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 12 V 8.40 4.26 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 0.80 0.00 0.00 0.98 0.00 0.00 13 A 8.49 4.19 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 14 P 0.00 4.39 0.00 2.03 1.99 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 15 G 8.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.67 4.28 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 17 L 7.95 4.56 0.00 1.58 1.46 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.05 4.52 0.00 2.45 2.67 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 0.00 0.00 0.00 19 D 8.42 4.23 0.00 2.64 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 0.00 0.00 0.00 20 Y 8.00 4.99 0.00 2.91 2.81 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 21 Y 8.91 4.58 0.00 2.76 2.27 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 0.00 22 G 9.08 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 0.00 0.00 0.00 0.00 23 F 8.98 5.41 0.00 3.02 3.04 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 24 W 9.77 4.80 0.00 3.33 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 25 S 8.52 5.02 0.00 3.91 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 26 S 8.23 4.73 0.00 4.03 4.13 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 0.00 0.00 0.00 0.00 27 G 8.02 3.77 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 0.00 0.00 0.00 28 Q 8.88 4.16 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.07 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 29 S 8.11 4.16 0.00 4.13 4.02 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 30 G 8.77 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.21 5.03 0.00 2.06 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 2.23 2.24 0.00 32 M 8.64 4.87 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 33 R 9.20 5.16 0.00 1.89 1.78 0.00 3.25 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 34 I 8.89 4.97 2.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.78 0.95 0.00 0.00 35 L 9.34 4.92 0.00 1.06 1.05 0.52 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.77 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 0.00 0.00 0.00 0.00 37 I 8.40 4.89 2.06 0.00 0.00 1.00 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 1.20 1.03 0.00 0.00 38 P 0.00 4.84 0.00 2.20 2.20 0.00 3.77 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 2.14 1.98 0.00 39 S 7.85 4.18 0.00 3.89 4.02 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 40 M 8.65 2.98 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.83 0.00 41 R 7.44 4.10 0.00 1.71 1.74 0.00 3.05 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 42 E 8.48 4.44 0.00 1.83 1.79 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 2.21 2.23 0.00 43 L 8.96 4.24 0.00 1.58 1.68 0.78 0.77 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 44 M 7.65 4.71 0.00 2.14 1.86 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 45 R 8.51 5.01 0.00 1.67 1.90 0.00 3.21 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 46 V 8.80 4.25 1.97 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 0.74 0.00 0.00 0.91 0.00 0.00 47 P 0.00 4.14 0.00 1.67 1.93 0.00 3.45 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.82 0.00 48 V 8.27 3.81 1.74 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 -0.22 0.00 0.00 0.65 0.00 0.00 49 F 8.83 5.24 0.00 3.19 3.10 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 0.00 0.00 0.00 50 N 8.20 4.87 0.00 2.90 3.09 0.00 0.00 5.99 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 51 R 8.41 4.41 0.00 1.84 1.96 0.00 3.53 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 52 C 8.84 4.47 0.00 3.12 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 53 S 8.72 4.11 0.00 3.90 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.18 4.16 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 55 T 7.99 4.23 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 1.24 0.00 0.00 56 G 8.53 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 0.00 0.00 0.00 57 W 7.87 4.25 0.00 3.42 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 58 G 8.61 3.95 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 0.00 0.00 0.00 59 Q 8.01 4.34 0.00 1.94 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 60 T 7.54 4.11 4.40 0.00 0.00 0.00 0.00 0.00 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 61 N 8.59 4.27 0.00 2.76 2.88 0.00 0.00 6.94 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 62 E 8.05 3.95 0.00 2.05 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 2.42 2.43 0.00 63 S 7.64 3.48 0.00 2.72 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.79 3.45 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 1.03 0.00 0.00 0.89 0.00 0.00 65 R 7.86 3.84 0.00 2.00 2.04 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 66 I 7.03 3.73 1.85 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.78 1.00 0.00 0.00 67 H 7.82 4.34 0.00 3.21 3.31 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.66 4.16 0.00 1.98 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 0.00 2.32 2.48 0.00 69 R 7.33 3.86 0.00 1.95 2.02 0.00 3.22 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 70 T 7.66 4.55 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 1.23 0.00 0.00 71 M 7.75 4.14 0.00 2.10 2.19 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 2.89 2.53 0.00 72 S 8.41 4.26 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *860 E 8.60 4.26 0.00 2.10 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 0.00 2.28 2.42 0.00 861 R 8.00 3.96 0.00 1.90 1.98 0.00 3.19 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 862 T 7.87 3.93 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 863 K 8.29 3.98 0.00 2.03 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.50 7.81 864 K 8.45 4.03 0.00 2.02 1.87 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.79 7.81 865 F 8.58 4.16 0.00 3.13 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 0.00 866 L 8.16 3.78 0.00 1.74 1.71 1.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 867 A 7.94 3.95 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 0.00 868 A 7.71 4.09 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 0.00 869 N 6.90 4.62 0.00 2.49 2.60 0.00 0.00 6.95 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 870 G 7.81 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 0.00 0.00 0.00 871 K 8.28 4.65 0.00 1.69 1.82 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.45 7.81 872 R 8.54 4.38 0.00 1.72 1.89 0.00 3.16 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 873 I 7.36 4.19 1.73 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.71 0.84 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.