NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 L 4.3201 8.2845 120.7665 54.3520 42.7252 176.8294 13 Q 4.1974 8.7378 118.0475 55.8287 29.1877 176.8283 *14 F 4.7682 8.3036 117.7862 54.4415 41.9077 175.7256 15 A 4.7814 8.4981 130.5970 49.5732 21.8006 174.7471 16 L 4.0835 8.4622 125.3542 55.5940 40.9933 174.8186 17 P 5.0645 0.0000 0.0000 64.5892 37.4132 178.2372 *18 H 4.6346 8.4635 116.6789 57.3480 29.6845 177.8365 19 E 4.5743 7.6674 117.2524 55.9563 27.8307 182.0326 *30 V 3.8640 8.4849 117.3577 62.6274 32.7262 175.8292 31 N 4.8101 8.5253 117.9607 52.2610 37.5019 174.1588 32 L 4.4247 8.1398 124.6263 51.9200 42.2936 172.7137 33 P 4.5955 0.0000 0.0000 60.7122 31.1295 174.4338 34 A 4.5491 7.9357 127.1889 53.8160 21.8572 176.3157 35 K 4.1321 7.9597 119.8790 55.9629 33.9017 179.7386 36 S 3.6387 8.2579 119.5914 58.9769 61.0220 171.7360 37 G 3.8450 9.0303 108.7290 48.7585 0.0000 174.1888 38 R 4.7270 7.2641 118.4388 54.9090 34.0860 176.1270 39 I 4.2002 7.0521 109.4836 63.7692 39.6122 170.3474 40 G 4.3834 8.0327 112.4358 48.2638 0.0000 172.6742 41 V 4.5886 7.8613 118.6884 59.6059 35.6128 176.9398 42 L 4.8415 8.1447 117.4236 54.2594 43.2973 177.0395 43 A 4.6074 7.9366 120.4433 54.2293 25.1309 176.3230 44 N 5.0140 7.6756 112.6060 51.9163 41.7147 176.3472 *45 H 4.4689 8.0660 115.1266 56.4330 31.2338 175.6574 46 V 3.9830 8.5575 116.9916 63.8141 32.8549 177.4264 *49 V 4.1386 7.6486 120.7093 61.8427 32.9416 178.0631 50 E 4.4266 8.7470 126.4995 55.4098 31.6636 173.1590 51 Q 4.8683 8.7170 126.4371 54.1623 27.2342 175.1776 52 L 4.0778 8.3344 127.3167 54.9362 41.6238 178.0905 53 L 4.6027 8.2323 122.4583 52.2211 42.9517 175.5860 *73 G 3.9714 8.0466 117.0738 45.8454 0.0000 169.9833 *74 F 4.8912 8.3884 119.1604 56.1810 42.4849 170.2762 75 A 4.7150 8.8465 127.5882 50.4887 20.8345 177.4008 76 T 4.4936 8.6657 119.3786 61.9529 70.0680 172.7325 77 V 4.3146 8.3391 119.8591 59.9809 32.7188 174.8432 78 Q 4.7432 8.1384 125.7897 52.2724 31.0058 175.4146 79 P 4.3998 0.0000 0.0000 64.0242 31.0093 173.9628 80 D 4.8671 8.0616 117.4251 53.4981 41.8617 183.0796 81 S 3.5371 8.7343 122.6340 58.1649 60.8634 169.5651 82 Q 4.0124 9.3143 119.3420 59.0836 27.3069 175.1966 83 L 3.7165 7.1477 124.0350 58.3170 43.0095 173.8282 *97 S 4.3735 7.5680 117.2320 58.8632 63.9790 175.8403 98 Q 4.6789 8.2741 118.8501 55.2860 31.5850 175.2274 99 E 4.7850 8.6891 117.6240 55.0163 31.9728 176.9575 100 N 5.0239 8.4576 121.3821 50.4553 41.3796 174.2729 101 I 4.1029 8.4539 123.7119 59.1718 33.8759 173.6338 102 K 4.5905 8.2700 127.6611 54.3434 32.9862 177.3260 103 N 4.6637 8.1220 118.5044 55.2061 37.6706 181.8456 104 L 4.1467 7.9962 119.3422 58.1795 41.0931 183.5448 105 L 4.6815 7.3363 115.7324 54.6333 41.2531 182.9615 106 A 4.1323 8.2038 126.9955 56.3708 18.4263 179.4275 107 E 4.7348 7.9055 109.7567 54.4289 32.0267 176.7216 108 A 4.6531 8.4837 124.5555 53.7079 24.0675 178.0054 109 K 4.0973 7.7865 114.9679 54.4576 32.6896 178.4068 *123 A 4.3894 8.5046 122.4746 52.3597 20.2314 177.5825 124 A 4.2757 7.8210 119.2490 52.1918 19.4648 177.8437 125 I 4.0491 8.1287 121.2397 59.9691 36.4645 176.9717 126 Q 4.3529 8.4404 124.2765 54.4293 28.9188 176.4521 127 V 3.8258 8.2980 118.2955 62.3610 32.3620 177.7534 128 E 4.6541 8.7435 121.3694 55.6179 29.9054 176.6118 129 V 3.9120 7.7687 119.9491 64.2174 31.8483 182.7017 130 L 4.1126 7.9508 120.2037 58.3754 41.1139 184.2119 131 E 4.1135 8.2007 115.9047 60.0592 29.5818 182.5845 132 N 4.6941 7.7654 119.0823 52.3718 34.9086 176.0481 133 L 4.5123 7.5418 122.6494 55.7679 44.4739 177.1385 134 Q 4.2503 7.9265 125.5232 55.6440 28.2363 178.3334 135 S 4.5336 8.6890 120.1491 58.9483 66.5693 171.8274 136 V 4.0319 7.7624 121.3448 60.6085 31.5560 177.4018 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 12 L 8.28 4.32 0.00 1.68 1.53 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.74 4.20 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.68 0.00 0.00 0.00 0.00 0.00 2.21 1.99 0.00 *14 F 8.30 4.77 0.00 2.24 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 0.00 0.00 0.00 15 A 8.50 4.78 1.20 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 0.00 0.00 0.00 16 L 8.46 4.08 0.00 1.68 1.38 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 5.06 0.00 2.02 1.89 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.58 0.00 *18 H 8.46 4.63 0.00 2.92 2.99 0.00 7.16 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.67 4.57 0.00 1.98 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 2.18 1.86 0.00 *30 V 8.48 3.86 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 0.86 0.00 0.00 0.93 0.00 0.00 31 N 8.53 4.81 0.00 2.71 2.66 0.00 0.00 6.53 7.79 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 32 L 8.14 4.42 0.00 1.66 1.48 0.92 0.93 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 33 P 0.00 4.60 0.00 2.15 2.13 0.00 3.50 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 34 A 7.94 4.55 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.96 4.13 0.00 1.79 1.62 0.00 1.97 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.00 7.81 36 S 8.26 3.64 0.00 3.77 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 9.03 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.26 4.73 0.00 1.78 1.68 0.00 3.31 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 39 I 7.05 4.20 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 1.35 0.86 0.91 0.00 0.00 40 G 8.03 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.86 4.59 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 0.78 0.00 0.00 0.93 0.00 0.00 42 L 8.14 4.84 0.00 1.60 1.53 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.94 4.61 1.24 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 44 N 7.68 5.01 0.00 2.69 2.53 0.00 0.00 6.40 7.90 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 *45 H 8.07 4.47 0.00 2.87 2.82 0.00 7.15 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.56 3.98 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 0.89 0.00 0.00 0.93 0.00 0.00 *49 V 7.65 4.14 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 0.84 0.00 0.00 0.93 0.00 0.00 50 E 8.75 4.43 0.00 1.69 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 2.20 2.13 0.00 51 Q 8.72 4.87 0.00 1.83 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.88 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 52 L 8.33 4.08 0.00 1.66 1.50 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.23 4.60 0.00 1.62 1.44 0.92 0.87 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 *73 G 8.05 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 *74 F 8.39 4.89 0.00 2.03 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 0.00 0.00 0.00 75 A 8.85 4.72 1.24 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 76 T 8.67 4.49 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 77 V 8.34 4.31 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 0.90 0.00 0.00 0.93 0.00 0.00 78 Q 8.14 4.74 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.82 0.00 0.00 0.00 0.00 0.00 2.25 1.87 0.00 79 P 0.00 4.40 0.00 2.08 2.01 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.60 0.00 80 D 8.06 4.87 0.00 2.67 2.47 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 0.00 81 S 8.73 3.54 0.00 3.76 3.73 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 0.00 0.00 0.00 0.00 82 Q 9.31 4.01 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.57 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 83 L 7.15 3.72 0.00 1.69 1.56 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 *97 S 7.57 4.37 0.00 3.65 3.72 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 98 Q 8.27 4.68 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.69 0.00 0.00 0.00 0.00 0.00 2.19 1.91 0.00 99 E 8.69 4.78 0.00 1.96 1.73 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 0.00 2.14 1.84 0.00 100 N 8.46 5.02 0.00 2.67 2.54 0.00 0.00 6.68 7.72 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 0.00 101 I 8.45 4.10 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 1.27 1.10 0.91 0.00 0.00 102 K 8.27 4.59 0.00 1.64 1.76 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 0.96 7.81 103 N 8.12 4.66 0.00 2.64 2.84 0.00 0.00 6.93 6.67 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 0.00 104 L 8.00 4.15 0.00 1.66 1.62 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.34 4.68 0.00 1.64 1.55 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.20 4.13 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 0.00 107 E 7.91 4.73 0.00 1.98 1.72 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 2.14 1.84 0.00 108 A 8.48 4.65 1.23 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 0.00 109 K 7.79 4.10 0.00 1.79 1.61 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *123 A 8.50 4.39 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 0.00 124 A 7.82 4.28 1.24 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 0.00 125 I 8.13 4.05 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 1.27 0.73 0.91 0.00 0.00 126 Q 8.44 4.35 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.90 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 127 V 8.30 3.83 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 0.86 0.00 0.00 0.93 0.00 0.00 128 E 8.74 4.65 0.00 1.87 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 0.00 2.22 1.84 0.00 129 V 7.77 3.91 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 0.67 0.00 0.00 0.93 0.00 0.00 130 L 7.95 4.11 0.00 1.66 1.62 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.20 4.11 0.00 2.00 1.92 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 2.27 2.15 0.00 132 N 7.77 4.69 0.00 2.74 2.68 0.00 0.00 6.78 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 7.54 4.51 0.00 1.62 1.47 0.92 0.81 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 0.00 134 Q 7.93 4.25 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.81 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 135 S 8.69 4.53 0.00 3.55 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.76 4.03 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 0.88 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.