NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.9000 8.3501 109.7341 45.2435 0.0000 173.2174 7 A 4.5062 7.5514 119.8537 48.7444 22.3664 170.9251 8 V 4.0642 8.9658 121.8642 62.7836 33.5511 173.7589 9 I 4.3851 9.0419 129.2339 59.5205 38.7763 174.8345 10 A 4.3889 8.6365 130.1922 52.0254 18.9414 176.5842 11 C 4.5984 8.7079 122.1560 59.1095 27.9312 173.7338 12 H 4.7971 9.8642 122.0636 56.1298 29.2973 176.6256 13 T 4.7785 7.7024 109.2110 58.8942 72.8355 174.4244 14 K 3.9836 8.6326 122.8328 59.9848 32.1111 178.8993 15 Q 4.0027 8.0845 119.2294 59.0397 29.1077 177.5053 16 E 3.9661 8.2880 119.7235 59.5448 29.5035 178.8737 17 F 4.0959 8.2968 120.2742 61.8208 39.3342 176.9174 18 D 4.2402 8.6475 118.4770 57.5424 40.5043 179.0298 19 T 3.7943 8.1768 116.5174 67.0758 68.4053 176.4787 20 H 4.1785 8.0006 117.9663 58.8709 28.6615 177.7350 21 M 3.8080 8.0181 120.6686 58.3166 31.6784 178.6828 22 A 3.9255 8.1506 121.1016 55.0319 18.5388 179.0160 23 N 4.2803 8.4932 116.1132 56.8023 38.9813 177.2192 24 G 3.5601 8.2395 107.1391 47.7395 0.0000 175.4669 25 K 3.9216 8.1154 122.6680 59.3362 32.0161 178.5827 26 D 4.4616 8.4017 118.2096 56.2539 40.7851 177.6719 27 T 4.5273 7.4634 107.6470 60.3207 69.2884 174.3784 28 G 3.9127 7.5813 108.5954 46.8346 0.0000 173.8294 29 K 4.5301 7.8251 118.0411 54.3308 33.9440 176.6205 30 L 4.2553 8.3722 125.5807 55.1399 43.5282 175.4600 31 V 4.6610 8.6223 126.0162 61.0955 34.3304 174.1201 32 I 4.6825 8.4520 128.2258 59.4479 40.1918 174.2871 33 I 4.6568 8.4784 128.2842 59.5008 39.6134 174.0970 34 D 4.2284 8.8266 127.8202 52.4351 42.7519 175.1248 35 F 4.8384 8.4696 126.7950 56.9335 40.3146 175.1536 36 T 4.6085 8.6400 117.8851 60.4834 71.5186 171.7571 37 A 4.3794 7.4792 122.0861 50.5750 21.6533 177.8393 38 S 3.9496 8.3894 116.0591 60.8910 63.0387 175.7068 39 W 4.4905 6.9216 114.3829 56.7336 28.7255 177.2874 40 C 4.7794 7.3172 120.5733 55.0291 40.1540 173.7216 41 G 3.6442 8.5539 115.3284 47.5469 0.0000 171.6179 42 P 4.3448 0.0000 0.0000 65.2014 31.3813 179.4726 43 C 4.2593 8.0436 114.9635 60.1333 39.9869 176.1590 44 R 3.8207 7.6658 118.3572 59.0898 29.6597 178.9211 45 V 3.7223 7.5902 117.3520 65.8801 31.9074 177.3713 46 I 4.0580 7.6996 116.6598 61.9866 37.9298 177.0711 47 A 4.0941 7.7986 122.0102 55.5236 18.1448 177.6449 48 P 4.1474 0.0000 0.0000 65.8541 31.2625 179.0345 49 V 3.2986 7.6368 116.5292 65.6798 31.5679 177.7151 50 F 4.1830 8.3234 120.3008 61.2842 39.0730 177.0071 51 A 3.8279 8.3045 120.6054 54.8603 18.1215 179.2490 52 E 3.7386 8.0437 117.9777 59.6686 29.7307 178.6058 53 Y 4.5373 7.7088 116.6777 61.1512 37.9878 178.5737 54 A 2.5800 7.0596 121.4264 54.4777 18.0913 179.9026 55 K 3.9545 7.2519 115.9934 59.4422 32.2135 179.5925 56 K 3.9468 7.8429 117.7984 57.8753 33.4526 177.4124 57 F 5.0648 7.8636 117.0717 55.2423 39.0364 174.1067 58 P 4.4150 0.0000 0.0000 65.0745 31.7881 178.4361 59 G 3.8125 8.2486 106.0859 46.3506 0.0000 172.8586 60 A 4.9425 8.0262 121.2911 50.0693 22.1934 175.8063 61 I 4.3689 8.4087 121.1470 60.0007 39.3389 174.8677 62 F 5.1458 9.0200 125.9492 55.8772 41.1384 174.4926 63 L 5.2555 9.2353 124.5837 52.7114 44.8911 175.5106 64 K 4.8342 8.9570 123.6938 54.5709 34.9804 174.7313 65 V 4.4412 8.4184 127.7107 60.8964 34.3835 173.6462 66 D 4.8702 8.5376 127.9108 53.7208 41.3386 177.2896 67 V 3.6886 8.8212 120.3479 64.4841 32.1417 178.6182 68 D 4.4723 8.4562 119.7030 57.0211 41.2418 177.3766 69 E 4.1076 8.9207 120.0798 58.6072 30.2281 176.1182 70 L 4.9704 7.8356 119.5850 52.6048 41.4193 177.0788 71 K 4.3103 8.2485 123.3110 58.6153 32.3678 178.3896 72 D 4.3113 8.0102 119.3011 56.3048 39.5476 178.7236 73 V 3.5249 7.7014 118.9675 65.5814 31.6495 177.3990 74 A 3.6471 7.9663 120.5579 55.2250 18.1033 179.1783 75 E 3.7732 8.3622 117.4400 59.4904 29.5281 178.7620 76 A 3.8613 7.9760 119.5637 54.8373 18.3811 178.1894 77 Y 4.2860 7.5374 111.8592 56.6469 38.6833 175.2534 78 N 4.0402 8.1139 116.4606 54.0159 36.7858 175.1962 79 V 3.5465 7.6594 117.6104 63.1331 31.6468 175.0355 80 E 4.6215 8.6631 124.3757 55.7286 31.3440 175.2790 81 A 4.7883 7.5609 120.0935 50.9181 22.3287 175.3646 82 M 4.7782 8.2750 118.5540 52.6160 35.8492 174.0464 83 P 4.5203 0.0000 0.0000 63.0701 33.2891 174.9857 84 T 4.9767 7.8505 116.0498 61.7858 72.0413 172.9407 85 F 5.1509 9.4412 124.8017 55.7235 41.6194 174.4777 86 L 5.2499 8.8100 123.9355 52.9557 45.0014 175.4534 87 F 5.0839 9.1102 120.5270 55.8129 41.9920 174.2535 88 I 5.0393 9.0296 125.1823 59.3218 39.8251 174.6409 89 K 4.2234 8.5360 127.9154 55.9852 34.3827 172.9644 90 D 4.3405 9.1695 126.0929 55.2717 41.4098 172.7502 *92 E 4.1980 7.5234 115.3381 55.5593 31.2616 175.3934 93 K 4.6166 8.7327 122.7592 57.0111 32.6251 176.8209 94 V 4.4410 8.7718 118.9788 61.8604 34.2107 174.6727 95 D 4.7760 8.0459 118.4764 53.9124 44.6324 173.6899 96 S 5.5990 8.4647 114.2264 57.3199 66.2286 173.6899 97 V 4.6198 9.3949 120.9168 61.3459 34.6184 174.1065 98 V 4.7035 8.8746 127.4602 62.3175 33.5224 176.2104 99 G 4.0178 9.7397 114.6841 45.1736 0.0000 173.6104 100 G 4.0646 8.2332 107.1061 45.1907 0.0000 176.8709 101 R 4.3736 7.6007 120.6211 54.1799 27.1802 176.7399 102 K 3.9626 8.0413 122.5002 59.9785 32.6987 178.2614 103 D 4.4264 8.1061 117.3622 57.4606 41.3036 177.8447 104 D 4.4060 8.1165 118.9643 57.1076 40.8237 178.6392 105 I 3.8335 7.5910 120.6163 64.6129 37.0784 177.8652 106 H 3.6409 7.7588 118.7544 59.3795 29.6946 177.1710 107 T 3.7772 7.8306 117.4469 66.8300 68.3035 176.7193 108 K 3.7541 7.9109 120.0582 59.1550 31.8334 179.5611 109 I 3.4009 7.5174 120.0925 64.1864 36.7298 178.3532 110 V 3.5187 7.2732 117.4491 66.0888 31.3462 177.5460 111 A 4.0750 7.5228 118.7370 55.3184 18.3328 179.4211 112 L 4.0368 7.6941 116.0571 57.8748 41.7199 179.2876 113 M 4.1599 8.0845 118.6212 57.7027 31.9714 176.6011 *114 G 3.7279 7.9584 111.5424 45.7066 0.0000 172.3114 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 6 G 8.35 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 7 A 7.55 4.51 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.97 4.06 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 1.07 0.00 0.00 0.84 0.00 0.00 9 I 9.04 4.39 1.78 0.00 0.00 0.75 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 0.66 0.73 0.00 0.00 10 A 8.64 4.39 1.16 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 0.00 0.00 0.00 11 C 8.71 4.60 0.00 2.95 3.13 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 12 H 9.86 4.80 0.00 3.26 3.49 0.00 5.56 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 13 T 7.70 4.78 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 1.26 0.00 0.00 14 K 8.63 3.98 0.00 1.86 1.93 0.00 1.92 0.00 0.00 1.94 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.65 7.81 15 Q 8.08 4.00 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 16 E 8.29 3.97 0.00 2.34 2.10 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 2.39 2.39 0.00 17 F 8.30 4.10 0.00 3.15 3.35 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 18 D 8.65 4.24 0.00 3.02 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 19 T 8.18 3.79 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 1.10 0.00 0.00 20 H 8.00 4.18 0.00 3.10 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 M 8.02 3.81 0.00 1.78 1.92 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.80 0.00 22 A 8.15 3.93 1.33 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 23 N 8.49 4.28 0.00 2.81 2.99 0.00 0.00 7.12 7.75 0.00 0.00 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 G 8.24 3.56 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 0.00 25 K 8.12 3.92 0.00 1.93 1.93 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 26 D 8.40 4.46 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.46 4.53 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 1.26 0.00 0.00 28 G 7.58 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.83 4.53 0.00 1.64 1.72 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.37 7.81 30 L 8.37 4.26 0.00 1.72 1.45 1.03 0.69 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 31 V 8.62 4.66 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 0.72 0.00 0.00 0.85 0.00 0.00 32 I 8.45 4.68 1.35 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.12 0.51 0.00 0.00 33 I 8.48 4.66 1.48 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.67 -0.05 0.00 0.00 34 D 8.83 4.23 0.00 1.58 1.90 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 35 F 8.47 4.84 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.64 4.61 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 1.09 0.00 0.00 37 A 7.48 4.38 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.39 3.95 0.00 3.87 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 39 W 6.92 4.49 0.00 3.50 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.32 4.78 0.00 2.14 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.55 3.64 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 0.00 0.00 0.00 42 P 0.00 4.34 0.00 2.20 2.16 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 43 C 8.04 4.26 0.00 2.98 2.97 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 44 R 7.67 3.82 0.00 1.91 1.98 0.00 3.13 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 45 V 7.59 3.72 2.25 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 0.81 0.00 0.00 0.98 0.00 0.00 46 I 7.70 4.06 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.28 1.22 0.00 0.00 47 A 7.80 4.09 1.42 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 0.00 0.00 0.00 48 P 0.00 4.15 0.00 2.13 2.10 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 49 V 7.64 3.30 2.13 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 0.59 0.00 0.00 0.84 0.00 0.00 50 F 8.32 4.18 0.00 3.30 3.31 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 51 A 8.30 3.83 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 52 E 8.04 3.74 0.00 1.97 1.81 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 2.19 2.25 0.00 53 Y 7.71 4.54 0.00 3.04 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 7.06 2.58 0.77 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 55 K 7.25 3.95 0.00 1.75 1.78 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.52 7.81 56 K 7.84 3.95 0.00 1.64 1.13 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.50 7.81 57 F 7.86 5.06 0.00 3.53 3.07 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 0.00 0.00 0.00 0.00 58 P 0.00 4.41 0.00 2.20 2.19 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 59 G 8.25 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 0.00 0.00 0.00 60 A 8.03 4.94 1.18 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 0.00 0.00 61 I 8.41 4.37 1.80 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 1.25 0.66 0.88 0.00 0.00 62 F 9.02 5.15 0.00 2.81 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.24 5.26 0.00 1.51 1.56 0.79 0.47 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 64 K 8.96 4.83 0.00 1.87 1.62 0.00 1.55 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.21 1.20 7.81 65 V 8.42 4.44 1.33 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 0.91 0.00 0.00 0.66 0.00 0.00 66 D 8.54 4.87 0.00 2.72 2.51 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 67 V 8.82 3.69 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 0.84 0.00 0.00 1.12 0.00 0.00 68 D 8.46 4.47 0.00 2.93 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.92 4.11 0.00 2.04 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 0.00 2.42 2.31 0.00 70 L 7.84 4.97 0.00 1.67 1.51 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.25 4.31 0.00 1.80 1.86 0.00 1.96 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.67 1.56 7.81 72 D 8.01 4.31 0.00 2.87 2.92 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 73 V 7.70 3.52 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 0.63 0.00 0.00 0.69 0.00 0.00 74 A 7.97 3.65 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 3.77 0.00 2.09 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 2.28 2.33 0.00 76 A 7.98 3.86 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 77 Y 7.54 4.29 0.00 2.81 2.92 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 78 N 8.11 4.04 0.00 2.82 2.84 0.00 0.00 6.85 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.66 3.55 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 0.55 0.00 0.00 -0.16 0.00 0.00 80 E 8.66 4.62 0.00 1.92 1.89 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 2.16 2.42 0.00 81 A 7.56 4.79 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 82 M 8.27 4.78 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.56 0.00 83 P 0.00 4.52 0.00 1.54 1.91 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.07 0.00 84 T 7.85 4.98 4.15 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 0.00 0.00 0.00 1.22 0.00 0.00 85 F 9.44 5.15 0.00 2.93 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.81 5.25 0.00 1.51 1.58 0.97 1.12 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 87 F 9.11 5.08 0.00 3.00 2.92 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 88 I 9.03 5.04 1.85 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.96 1.06 0.00 0.00 89 K 8.54 4.22 0.00 1.70 1.64 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.39 7.81 90 D 9.17 4.34 0.00 2.84 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *92 E 7.52 4.20 0.00 2.14 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 2.33 2.34 0.00 93 K 8.73 4.62 0.00 1.96 1.87 0.00 1.91 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.55 1.64 7.81 94 V 8.77 4.44 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 0.73 0.00 0.00 1.00 0.00 0.00 95 D 8.05 4.78 0.00 2.56 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 0.00 0.00 0.00 96 S 8.46 5.60 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 97 V 9.39 4.62 2.49 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 1.10 0.00 0.00 1.14 0.00 0.00 98 V 8.87 4.70 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 0.89 0.00 0.00 0.99 0.00 0.00 99 G 9.74 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 0.00 0.00 0.00 100 G 8.23 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 7.60 4.37 0.00 1.97 1.97 0.00 3.23 0.00 0.00 3.68 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 102 K 8.04 3.96 0.00 1.87 2.01 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.77 7.81 103 D 8.11 4.43 0.00 2.84 2.70 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 0.00 104 D 8.12 4.41 0.00 2.89 2.70 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 0.00 105 I 7.59 3.83 2.13 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.89 0.99 0.00 0.00 106 H 7.76 3.64 0.00 2.96 3.43 0.00 5.80 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 0.00 107 T 7.83 3.78 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 108 K 7.91 3.75 0.00 1.17 1.01 0.00 1.22 0.00 0.00 1.15 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.14 1.36 7.81 109 I 7.52 3.40 1.23 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.89 -0.52 0.00 0.00 110 V 7.27 3.52 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.96 0.00 0.00 111 A 7.52 4.08 1.27 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 0.00 0.00 112 L 7.69 4.04 0.00 1.56 1.67 0.78 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 113 M 8.08 4.16 0.00 2.02 2.28 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 2.60 2.69 0.00 *114 G 7.96 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.