NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3643 0.0000 0.0000 62.6453 32.6429 174.8919 2 Q 4.4081 8.4732 119.8237 53.7419 30.6786 173.1279 3 I 4.4671 8.1439 125.9981 59.6667 40.5790 175.2056 4 T 4.3983 8.3946 115.6895 60.8800 70.4097 174.2288 5 L 4.6619 7.6745 117.8309 54.3223 42.2835 178.1845 6 W 4.2366 8.1784 121.3961 58.5988 29.2670 176.4299 7 K 4.7500 7.7131 115.4659 53.7451 34.6234 175.8939 8 R 3.9522 8.4612 119.6979 56.5309 30.9747 176.3439 9 P 4.6739 0.0000 0.0000 62.1350 29.4455 174.9591 10 L 4.8408 7.5736 121.7494 55.0865 43.2055 177.8049 11 V 4.6185 8.9151 115.9023 59.9201 36.6449 174.3781 12 T 4.9287 8.4526 118.8327 62.7133 69.5375 174.5162 13 I 4.8233 8.9560 119.3113 59.1629 41.4256 174.2881 14 R 5.0193 8.6679 122.7340 54.6353 32.7437 175.3292 15 I 4.4140 9.0700 124.0814 60.3631 41.8154 174.7485 16 G 3.6634 9.9125 117.6627 46.5347 0.0000 174.1893 17 G 3.9494 8.7174 106.4740 44.6905 0.0000 173.7467 18 Q 4.6937 7.8048 117.0837 53.9331 31.5140 174.1537 19 L 5.0588 8.1947 118.5940 53.9146 43.1910 176.1875 20 K 4.7132 8.9815 121.1997 54.8367 37.1173 174.6217 21 E 5.0557 8.6937 122.3260 55.1810 31.1714 174.8169 22 A 4.8472 8.9456 126.5548 50.5679 23.6971 174.4522 23 L 4.8257 8.9182 122.3172 53.5187 43.8072 175.7363 24 L 4.3874 8.6585 127.3675 55.0552 42.2747 176.5027 25 D 4.8325 9.1917 125.4794 52.3452 42.5644 176.3553 26 T 4.0226 8.7048 116.2921 63.5002 69.2275 175.6657 27 G 3.8467 8.2339 110.2015 45.3497 0.0000 172.8161 28 A 4.6728 7.7450 122.8447 49.9901 21.1498 177.8926 29 D 4.3680 8.9455 122.6968 56.7023 42.2353 175.8576 30 D 5.5225 8.0194 116.0869 52.6869 45.5972 174.8832 31 T 4.7508 7.9846 116.0623 62.2268 70.6093 174.4027 32 V 4.8949 8.7230 125.9937 61.2063 34.6738 174.1453 33 I 5.0689 8.9064 128.9574 58.8454 40.3457 175.1658 34 E 4.5580 9.3809 124.1252 55.7168 29.9785 176.6922 35 E 3.8712 8.7387 119.4834 57.1822 30.3164 176.6409 *37 N 4.4287 8.5237 118.7970 53.0650 39.8194 173.8969 38 L 4.4567 8.1462 123.4361 52.1825 44.6424 174.0621 39 P 4.4301 0.0000 0.0000 61.8974 32.7200 174.9277 40 G 4.3511 8.4090 113.0557 45.3798 0.0000 174.4949 *42 W 4.7471 8.1105 124.1400 55.8253 29.2314 173.1875 43 K 4.5373 8.6526 117.7715 54.4502 35.6717 174.0801 44 P 5.0491 0.0000 0.0000 63.0607 32.0496 176.0736 45 K 4.3194 8.6811 125.7812 55.5199 36.2024 174.9434 *47 I 4.2820 8.4465 110.8356 60.8075 38.6874 174.6102 48 G 3.7333 8.2603 109.0329 43.5874 0.0000 172.8262 49 G 3.8401 7.9643 107.3605 44.5690 0.0000 174.6368 50 I 3.6854 8.3508 122.3242 61.8134 38.0337 177.6888 *52 G 3.9243 7.7681 106.7520 45.0661 0.0000 172.0110 53 F 5.1962 8.8599 119.9666 55.5354 42.0403 174.2660 54 I 4.8046 8.3133 116.3981 59.0022 40.6352 174.8417 55 K 4.6481 8.5785 122.4069 56.0382 33.2263 176.5023 56 V 4.6432 9.0048 116.8779 59.7592 36.9323 174.2942 57 R 4.6175 8.8879 121.0452 54.9006 31.9511 175.6417 58 Q 4.7288 9.3845 126.6565 55.2409 30.5156 173.6359 59 Y 5.0524 9.1183 125.3776 56.5867 40.0604 175.2497 60 D 5.0192 8.9626 123.7652 52.8495 43.1870 175.8258 61 Q 3.3873 8.3315 116.3559 57.1592 26.5656 174.2887 62 I 4.3850 7.8950 118.4077 59.3994 39.2172 175.1170 63 P 4.9618 0.0000 0.0000 62.5694 32.1310 176.0741 64 V 4.5757 9.0534 123.8343 61.1542 35.2701 173.2885 65 E 4.9535 8.9836 128.7318 54.1757 31.7800 176.1979 66 I 4.5687 8.8688 129.0019 61.3207 37.9885 177.2393 *68 G 3.9669 8.1505 107.4498 45.1313 0.0000 172.8458 69 H 4.8204 8.2463 118.2180 53.7058 30.6886 173.7638 70 K 4.8582 8.4990 123.2239 55.8710 33.1967 175.9724 71 A 4.9120 9.0525 124.5781 50.5534 23.3822 175.2832 72 I 4.8143 8.9713 120.1930 60.6480 40.6351 175.0211 73 G 4.0807 8.4413 115.3145 46.7118 0.0000 171.4413 74 T 4.9167 8.7975 118.2674 63.2832 69.6811 174.6411 75 V 4.4780 9.0472 125.8096 61.0969 34.8569 173.9997 76 L 5.1495 9.0671 128.0857 53.3727 44.0711 175.5472 77 V 4.7602 8.4125 123.1340 61.3998 34.1470 175.0231 78 G 3.9613 8.1865 113.6888 45.1593 0.0000 170.8258 79 P 4.8129 0.0000 0.0000 62.1636 30.1461 176.2257 80 T 4.1993 7.2756 112.7437 61.5420 68.6275 172.6522 81 P 4.3938 0.0000 0.0000 64.9292 31.7066 177.0888 82 V 4.4313 7.2436 116.0986 60.7543 34.7944 174.0435 83 N 4.8464 8.7875 124.7338 53.4149 39.7598 173.8788 84 I 5.0177 8.9853 116.9307 59.1711 41.3665 174.2335 85 I 4.4975 8.9645 126.8061 60.3126 38.7832 175.5076 86 G 4.4036 8.2773 115.8655 43.7860 0.0000 173.9748 87 R 4.0700 8.8734 118.3947 58.9079 30.2850 179.0407 88 N 4.3317 7.9640 114.7737 55.4545 37.4136 176.4395 89 L 4.3995 7.7697 117.5266 56.0558 42.2217 178.6023 90 L 4.0203 7.9576 118.9426 58.0154 41.7100 179.2435 91 T 4.0097 8.1081 109.6939 64.9969 68.3661 176.6154 92 Q 4.0678 7.9530 119.8295 57.9498 28.9182 177.3902 93 I 4.4374 7.4705 111.1700 59.3750 38.2090 172.4978 94 G 3.5895 7.4202 115.9303 45.5933 0.0000 173.3303 *96 T 4.1191 7.9896 114.5752 60.9938 69.9103 173.2920 97 L 4.6593 8.1810 121.8280 53.6307 43.2141 176.1841 98 N 5.1035 8.4938 118.7959 51.6589 42.4866 174.5311 99 F 4.5337 8.3203 116.2317 57.3481 37.7030 173.9986 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 P 0.00 4.36 0.00 2.21 2.15 0.00 3.65 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 1.88 1.97 0.00 2 Q 8.47 4.41 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 3 I 8.14 4.47 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 1.48 0.80 0.92 0.00 0.00 4 T 8.39 4.40 4.34 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 1.32 0.00 0.00 5 L 7.67 4.66 0.00 1.28 1.45 0.79 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.18 4.24 0.00 3.32 3.30 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 7 K 7.71 4.75 0.00 1.75 1.73 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.52 7.81 8 R 8.46 3.95 0.00 1.80 1.88 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 9 P 0.00 4.67 0.00 2.10 2.20 0.00 3.66 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 2.15 1.96 0.00 10 L 7.57 4.84 0.00 1.56 1.64 0.92 0.92 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 11 V 8.92 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 0.76 0.00 0.00 0.99 0.00 0.00 12 T 8.45 4.93 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 13 I 8.96 4.82 1.86 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 1.39 0.75 0.91 0.00 0.00 14 R 8.67 5.02 0.00 1.75 1.85 0.00 3.13 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 15 I 9.07 4.41 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.14 0.87 0.00 0.00 16 G 9.91 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.72 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 18 Q 7.80 4.69 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 19 L 8.19 5.06 0.00 1.54 1.62 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.98 4.71 0.00 1.61 1.61 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.34 7.81 21 E 8.69 5.06 0.00 1.96 1.82 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 2.21 2.30 0.00 22 A 8.95 4.85 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 23 L 8.92 4.83 0.00 1.72 1.66 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.66 4.39 0.00 1.56 1.61 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 25 D 9.19 4.83 0.00 2.75 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 26 T 8.70 4.02 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 1.20 0.00 0.00 27 G 8.23 3.85 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 0.00 0.00 0.00 28 A 7.75 4.67 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 29 D 8.95 4.37 0.00 2.62 2.73 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 30 D 8.02 5.52 0.00 2.56 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 31 T 7.98 4.75 4.41 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 1.28 0.00 0.00 32 V 8.72 4.89 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 1.01 0.00 0.00 0.93 0.00 0.00 33 I 8.91 5.07 1.83 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 1.27 1.03 0.92 0.00 0.00 34 E 9.38 4.56 0.00 1.89 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 2.35 2.14 0.00 35 E 8.74 3.87 0.00 1.84 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 2.26 2.33 0.00 *37 N 8.52 4.43 0.00 2.72 2.81 0.00 0.00 6.65 7.85 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 38 L 8.15 4.46 0.00 0.95 0.52 0.21 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.43 0.00 2.08 2.02 0.00 3.76 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 2.01 2.09 0.00 40 G 8.41 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 0.00 0.00 0.00 0.00 *42 W 8.11 4.75 0.00 2.89 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 0.00 0.00 0.00 0.00 43 K 8.65 4.54 0.00 1.75 1.80 0.00 1.30 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.44 7.81 44 P 0.00 5.05 0.00 2.05 2.21 0.00 3.65 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.32 0.00 45 K 8.68 4.32 0.00 1.85 1.58 0.00 1.99 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.43 7.81 *47 I 8.45 4.28 1.89 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 1.39 0.56 0.96 0.00 0.00 48 G 8.26 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 49 G 7.96 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 50 I 8.35 3.69 1.82 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 1.31 0.82 0.87 0.00 0.00 *52 G 7.77 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 0.00 0.00 0.00 53 F 8.86 5.20 0.00 2.99 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 54 I 8.31 4.80 1.89 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 1.24 0.70 0.92 0.00 0.00 55 K 8.58 4.65 0.00 1.68 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.50 7.81 56 V 9.00 4.64 2.16 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 0.72 0.00 0.00 1.00 0.00 0.00 57 R 8.89 4.62 0.00 1.45 1.05 0.00 2.52 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.91 0.00 58 Q 9.38 4.73 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 59 Y 9.12 5.05 0.00 3.10 2.89 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 0.00 0.00 0.00 60 D 8.96 5.02 0.00 2.61 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.33 3.39 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 62 I 7.89 4.38 1.97 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 1.32 1.19 0.87 0.00 0.00 63 P 0.00 4.96 0.00 1.93 1.99 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 64 V 9.05 4.58 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 1.06 0.00 0.00 0.92 0.00 0.00 65 E 8.98 4.95 0.00 2.09 1.78 0.00 0.00 0.00 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 2.26 0.00 66 I 8.87 4.57 1.89 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 1.23 0.59 0.91 0.00 0.00 *68 G 8.15 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 69 H 8.25 4.82 0.00 3.40 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.50 4.86 0.00 1.64 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 71 A 9.05 4.91 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 72 I 8.97 4.81 1.88 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 1.17 0.69 0.93 0.00 0.00 73 G 8.44 4.08 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 0.00 0.00 0.00 74 T 8.80 4.92 4.28 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 1.36 0.00 0.00 75 V 9.05 4.48 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 1.04 0.00 0.00 0.94 0.00 0.00 76 L 9.07 5.15 0.00 1.69 1.59 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.41 4.76 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.91 0.00 0.00 78 G 8.19 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.81 0.00 2.18 2.09 0.00 3.85 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 80 T 7.28 4.20 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 1.32 0.00 0.00 81 P 0.00 4.39 0.00 2.06 2.08 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 82 V 7.24 4.43 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 0.75 0.00 0.00 0.92 0.00 0.00 83 N 8.79 4.85 0.00 2.83 2.71 0.00 0.00 6.64 7.67 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 84 I 8.99 5.02 1.86 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 1.34 0.95 0.93 0.00 0.00 85 I 8.96 4.50 1.86 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 1.15 1.02 0.91 0.00 0.00 86 G 8.28 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 87 R 8.87 4.07 0.00 1.87 2.00 0.00 3.14 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 88 N 7.96 4.33 0.00 2.88 3.09 0.00 0.00 6.94 7.06 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 89 L 7.77 4.40 0.00 1.71 1.74 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.96 4.02 0.00 1.60 1.73 0.91 0.83 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 91 T 8.11 4.01 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 1.23 0.00 0.00 92 Q 7.95 4.07 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 93 I 7.47 4.44 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.53 0.98 0.00 0.00 94 G 7.42 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.99 4.12 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 97 L 8.18 4.66 0.00 1.72 1.74 nan 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.49 5.10 0.00 2.68 2.67 0.00 0.00 6.77 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 99 F 8.32 4.53 0.00 3.05 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 * Residues marked with a * may have inaccurate shift predictions.