NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6347 8.1476 118.3344 54.8919 33.6744 173.8889 2 V 3.8558 8.1787 117.8566 61.6511 32.7099 173.8396 3 K 5.0785 9.9419 122.8467 54.8452 37.7572 176.4126 4 I 4.9384 8.3494 122.1916 60.0204 39.6503 175.2098 5 R 4.8870 9.1216 123.6382 55.1972 33.4152 173.3725 6 L 5.1418 8.4098 118.1810 53.5649 43.3668 176.2552 7 A 4.9724 8.9308 124.6095 50.0821 21.8822 175.4340 8 R 4.4051 8.7910 123.4766 56.1601 30.6249 176.2709 9 F 4.7011 9.0219 122.0240 57.5024 42.2743 175.7820 10 G 4.4026 8.8294 111.1557 44.8539 0.0000 176.6544 11 S 4.5245 8.7979 117.7188 57.0874 64.8330 176.3038 12 K 3.7618 8.7365 121.4978 58.7013 31.8431 175.5902 13 H 4.2140 8.9290 121.2735 56.5281 26.7303 175.5725 14 N 4.9853 8.2783 117.3011 52.1755 40.0461 171.2989 15 P 4.6079 0.0000 0.0000 62.6493 33.4189 177.1703 16 H 4.4977 8.2365 118.6641 55.1391 32.6042 172.2594 17 Y 5.3304 9.0730 121.9524 57.0238 40.6158 174.9935 18 R 5.0552 8.9383 120.3654 54.3753 33.1682 175.4380 19 I 4.3968 8.5597 126.0336 61.3526 38.2058 175.5112 20 V 4.3746 9.4835 127.4354 60.9201 35.8748 174.4926 21 V 5.0727 7.8095 124.1931 60.8476 32.2705 174.2546 22 T 4.9199 7.9010 121.5945 59.7833 71.7799 172.1259 23 D 4.5113 8.6115 124.8641 54.1502 41.8711 176.4986 24 A 4.0857 8.4313 127.5396 55.4970 18.3975 179.2863 25 R 3.9895 9.2266 113.2600 58.0501 30.3922 177.1664 26 R 4.2678 7.7048 118.6540 54.7271 31.1033 176.0423 27 K 4.0390 8.5236 122.3863 56.9657 32.9185 178.0290 28 R 3.9661 8.6441 117.2456 59.0938 29.4762 177.0718 29 D 4.7894 8.0382 115.9016 53.8619 41.2812 177.0261 30 G 3.9280 7.5804 110.6779 44.4032 0.0000 173.3288 31 K 3.7476 8.6371 123.0693 56.8341 32.0895 176.9281 32 Y 4.9246 7.3452 123.6745 54.4512 40.2859 175.7813 33 I 4.0150 8.7484 122.1671 64.1032 37.9248 176.7053 34 E 5.0199 7.7289 118.6767 55.2289 32.6377 175.7755 35 K 4.0781 9.1095 128.8252 56.4323 33.2500 176.3970 36 I 4.6651 8.7957 116.4804 59.7595 40.5726 174.4666 37 G 4.2343 7.3871 110.6422 47.0030 0.0000 170.8716 38 Y 5.6239 7.7026 116.7924 55.7386 41.7024 173.6956 39 Y 5.5506 9.3653 121.0387 56.4971 42.7655 173.2564 40 D 4.7902 9.7474 127.5756 51.3264 41.8196 174.2790 41 P 3.8527 0.0000 0.0000 64.1514 31.1881 177.7020 42 R 4.0606 7.5962 115.4457 55.4422 30.6538 176.9400 43 K 3.6758 7.3994 116.9601 57.7576 29.2922 174.4589 44 T 4.4198 8.2422 106.4682 61.3359 69.4897 175.2968 45 T 4.5755 7.4884 113.8833 60.6673 69.9647 171.7611 46 P 4.5170 0.0000 0.0000 65.1404 31.7989 176.2416 47 D 4.8153 7.9229 120.5180 52.7156 39.8343 175.5820 48 W 4.9666 7.5439 116.3458 56.5668 30.4560 177.3622 49 L 4.7562 7.2012 122.8774 54.3892 43.9411 174.0141 50 K 4.4136 8.2489 127.7232 54.5109 35.8099 175.1200 51 V 4.5312 7.8216 124.9634 60.5172 34.5341 175.9576 52 D 4.6346 9.5072 129.0596 52.8286 38.1436 176.3873 53 V 3.4748 7.8338 124.6863 64.6139 31.4634 178.0160 54 E 3.8728 8.0691 119.3546 58.9196 29.6055 178.7133 55 R 3.9384 8.6289 118.1792 59.1149 30.0272 178.7802 56 A 4.0850 8.2427 120.5800 55.4943 18.4625 179.6157 57 R 3.7938 8.0432 116.4510 59.6843 29.9071 178.5246 58 Y 3.9583 7.8099 117.9587 60.5607 39.0380 178.0130 59 W 4.0406 8.0450 119.6616 59.6638 29.2983 178.3648 60 L 4.0691 8.2993 119.4733 57.9867 40.9109 179.7688 61 S 4.2196 7.9645 112.3755 60.3925 62.9523 175.7563 62 V 4.1312 7.5493 114.5629 60.3330 32.0513 175.5806 63 G 3.8098 7.9250 105.8605 44.9312 0.0000 174.5305 64 A 4.2667 8.1699 122.3138 52.7860 19.1347 176.7635 65 Q 4.6765 8.8262 121.8892 53.5090 30.8682 173.3171 66 P 5.0686 0.0000 0.0000 62.2437 32.7604 176.3999 67 T 3.9872 8.6025 119.5415 63.9495 69.5421 175.0137 68 D 4.3075 8.9648 123.8600 58.2088 40.9021 179.5443 69 T 3.7934 7.8393 115.1739 66.4818 68.3986 176.3159 70 A 3.8875 7.9115 122.2194 55.2610 18.3978 179.5202 71 R 3.9901 8.5615 117.4597 59.5062 30.0820 178.3650 72 R 3.8642 8.0225 118.5824 59.4360 30.0498 178.1251 73 L 3.8330 7.7871 118.3465 58.0324 41.7746 179.5506 74 L 3.8676 8.1476 118.8813 57.8592 40.9194 179.7645 75 R 3.9717 8.2747 118.3022 59.7184 29.9730 178.1446 76 Q 4.3919 7.9842 117.6889 58.9231 28.8749 177.6425 77 A 4.4159 7.4204 118.8294 51.3406 19.2458 177.6214 78 G 3.8199 9.2951 107.0731 46.2571 0.0000 176.3721 79 V 3.3686 7.5413 121.3095 64.9666 31.4060 176.9779 80 F 4.7606 7.6471 115.4616 57.2790 39.7388 176.0262 81 R 4.0388 7.4305 121.2642 56.8121 30.4676 175.3703 82 Q 4.2645 8.7622 123.1360 57.6342 30.1490 176.1355 83 E 3.6894 7.8852 116.1250 55.3859 28.8792 174.3717 *84 A 4.1104 8.3353 121.0501 52.6633 18.9361 176.7090 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 1 M 8.15 4.63 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 2 V 8.18 3.86 2.06 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 0.78 0.00 0.00 0.72 0.00 0.00 3 K 9.94 5.08 0.00 1.60 1.73 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.53 7.81 4 I 8.35 4.94 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.79 0.87 0.00 0.00 5 R 9.12 4.89 0.00 1.75 1.98 0.00 2.76 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 6 L 8.41 5.14 0.00 1.36 1.57 0.81 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.93 4.97 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.79 4.41 0.00 1.92 1.75 0.00 3.28 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.84 0.00 9 F 9.02 4.70 0.00 3.13 2.98 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 0.00 0.00 0.00 10 G 8.83 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 0.00 0.00 0.00 0.00 11 S 8.80 4.52 0.00 3.97 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 12 K 8.74 3.76 0.00 1.67 1.76 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.10 1.34 7.81 13 H 8.93 4.21 0.00 3.35 3.31 0.00 5.77 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.28 4.99 0.00 2.72 2.75 0.00 0.00 7.01 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 15 P 0.00 4.61 0.00 1.67 1.86 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.96 0.00 16 H 8.24 4.50 0.00 3.11 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 9.07 5.33 0.00 3.30 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 18 R 8.94 5.06 0.00 1.80 1.68 0.00 2.21 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.12 0.00 19 I 8.56 4.40 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.69 0.86 0.00 0.00 20 V 9.48 4.37 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 0.60 0.00 0.00 0.24 0.00 0.00 21 V 7.81 5.07 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 0.34 0.00 0.00 22 T 7.90 4.92 4.32 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 1.22 0.00 0.00 23 D 8.61 4.51 0.00 2.76 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.43 4.09 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 25 R 9.23 3.99 0.00 1.94 2.01 0.00 3.16 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 26 R 7.70 4.27 0.00 1.80 1.93 0.00 3.37 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 27 K 8.52 4.04 0.00 1.97 1.95 0.00 1.55 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.55 7.81 28 R 8.64 3.97 0.00 1.99 2.14 0.00 3.11 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 29 D 8.04 4.79 0.00 2.59 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 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 31 K 8.64 3.75 0.00 1.68 1.74 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.34 7.81 32 Y 7.35 4.92 0.00 3.14 2.98 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 0.00 0.00 0.00 33 I 8.75 4.02 1.77 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 1.10 0.53 0.96 0.00 0.00 34 E 7.73 5.02 0.00 2.22 1.88 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 2.27 2.30 0.00 35 K 9.11 4.08 0.00 1.75 1.71 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.41 1.31 7.81 36 I 8.80 4.67 1.91 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 1.19 0.72 1.12 0.00 0.00 37 G 7.39 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 38 Y 7.70 5.62 0.00 3.19 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 39 Y 9.37 5.55 0.00 3.08 3.06 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 40 D 9.75 4.79 0.00 2.87 2.74 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 0.00 0.00 0.00 0.00 41 P 0.00 3.85 0.00 2.19 2.16 0.00 3.21 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.04 0.00 42 R 7.60 4.06 0.00 1.74 1.88 0.00 3.20 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 43 K 7.40 3.68 0.00 1.21 0.95 0.00 1.09 0.00 0.00 1.13 0.00 0.00 2.41 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.30 0.21 7.81 44 T 8.24 4.42 4.25 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 1.23 0.00 0.00 45 T 7.49 4.58 4.32 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 1.42 0.00 0.00 46 P 0.00 4.52 0.00 2.29 2.27 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 47 D 7.92 4.82 0.00 2.76 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 48 W 7.54 4.97 0.00 3.74 3.40 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 0.00 49 L 7.20 4.76 0.00 1.51 0.87 0.91 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.25 4.41 0.00 0.90 0.74 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.56 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.09 1.16 7.81 51 V 7.82 4.53 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 0.70 0.00 0.00 0.79 0.00 0.00 52 D 9.51 4.63 0.00 2.70 2.56 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 53 V 7.83 3.47 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 54 E 8.07 3.87 0.00 2.07 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 2.35 2.43 0.00 55 R 8.63 3.94 0.00 2.15 2.12 0.00 3.35 0.00 0.00 3.61 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.06 0.00 56 A 8.24 4.09 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 57 R 8.04 3.79 0.00 2.07 2.00 0.00 3.11 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 58 Y 7.81 3.96 0.00 2.81 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 59 W 8.04 4.04 0.00 3.58 3.14 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 0.00 0.00 0.00 60 L 8.30 4.07 0.00 1.82 1.80 0.88 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.96 4.22 0.00 3.96 4.05 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 62 V 7.55 4.13 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 0.18 0.00 0.00 0.70 0.00 0.00 63 G 7.92 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 64 A 8.17 4.27 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 65 Q 8.83 4.68 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 66 P 0.00 5.07 0.00 2.13 2.11 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 67 T 8.60 3.99 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 1.21 0.00 0.00 68 D 8.96 4.31 0.00 2.65 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 69 T 7.84 3.79 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 1.03 0.00 0.00 70 A 7.91 3.89 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.56 3.99 0.00 1.89 2.12 0.00 3.02 0.00 0.00 2.88 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 72 R 8.02 3.86 0.00 1.89 1.99 0.00 3.18 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 73 L 7.79 3.83 0.00 1.71 1.51 0.19 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.15 3.87 0.00 1.91 1.50 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.27 3.97 0.00 2.27 2.15 0.00 3.16 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 76 Q 7.98 4.39 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 77 A 7.42 4.42 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 78 G 9.30 3.82 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 0.00 0.00 0.00 79 V 7.54 3.37 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 0.22 0.00 0.00 0.71 0.00 0.00 80 F 7.65 4.76 0.00 3.06 2.99 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 81 R 7.43 4.04 0.00 1.93 1.84 0.00 3.23 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 82 Q 8.76 4.26 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 5.83 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 83 E 7.89 3.69 0.00 2.13 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 2.20 2.23 0.00 *84 A 8.34 4.11 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 * Residues marked with a * may have inaccurate shift predictions.