NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.7188 8.2233 120.4639 53.9609 42.2860 172.2596 3 L 5.2199 8.3882 122.3845 52.1544 44.6770 170.7499 4 V 4.5048 8.5349 117.1083 58.5141 36.4067 172.8699 5 P 3.8287 0.0000 0.0000 62.5434 32.2350 175.3253 6 L 4.6065 8.6272 122.2077 53.7093 46.8184 174.4526 7 K 5.0405 8.9150 118.1392 54.8661 35.8534 175.5398 8 L 4.8829 8.7613 125.7597 53.4880 44.2324 175.0168 9 V 4.6935 8.6209 127.4563 61.6392 33.6212 174.4859 10 T 4.9212 8.4677 124.4327 61.6754 71.6172 173.1219 11 I 4.9256 8.8432 126.3232 59.4361 41.2158 174.3484 12 V 4.8012 8.7900 126.9619 61.1965 34.0129 174.3320 13 A 4.7392 8.5560 127.9116 50.6775 23.5111 174.8049 14 E 4.5040 8.9688 118.9546 55.8897 30.2455 178.0017 15 S 4.0860 8.8394 120.8170 61.5546 62.6869 176.6536 16 L 4.1064 7.7830 120.5469 56.5245 41.7497 178.0902 17 L 4.1399 7.8838 118.6200 55.0290 41.7244 177.9318 18 E 3.7860 7.9513 120.9758 59.2680 29.5924 178.4523 19 K 3.7910 7.9676 118.6669 59.7578 32.1933 178.6749 20 R 4.0634 7.8299 117.5450 59.2920 30.0171 178.9451 21 L 3.6751 7.8312 118.7584 57.5572 41.5610 179.7169 22 V 3.1057 7.6520 118.1954 65.9637 31.4297 178.0082 23 E 3.9355 7.9524 118.0722 59.1319 29.2501 179.0302 24 E 3.9247 8.2078 119.5608 59.4788 29.7058 179.3759 25 V 3.6337 7.8441 112.5644 64.2217 31.6407 178.8005 26 K 4.2702 7.9352 119.7303 58.8518 31.6542 179.3346 27 R 3.9337 7.8464 118.0424 59.2739 30.1203 177.7555 28 L 4.3951 7.6390 115.4879 54.7152 41.8065 177.2240 29 G 3.9829 7.7327 106.4787 45.3650 0.0000 174.7817 30 A 4.1756 8.6163 124.8775 52.3798 18.7908 178.0076 31 K 4.5045 9.1634 121.3511 54.4691 32.6366 176.5365 32 G 4.1807 7.6118 108.9356 46.0799 0.0000 170.9171 33 Y 4.9050 7.1418 116.5743 56.8121 40.2708 173.1202 34 T 4.6539 8.7350 108.8128 60.1204 72.6460 172.8609 35 I 5.2542 8.3642 122.9111 59.8728 40.7710 174.9453 36 T 4.8551 8.9002 115.7745 58.8776 72.2464 171.6408 37 P 4.7341 0.0000 0.0000 63.4274 32.3999 175.2630 38 A 4.9094 8.6370 121.9633 50.6549 22.8954 175.3024 39 R 4.8342 8.6076 116.1112 54.7397 32.9794 174.9090 40 G 4.1363 8.2019 107.9545 43.7953 0.0000 171.1425 41 E 3.7658 8.7931 119.1256 58.3930 29.6477 177.9864 42 G 3.9359 10.1187 113.9322 45.7472 0.0000 172.5129 43 S 4.4339 7.4438 113.7846 57.1329 66.5188 173.3685 *52 E 4.2785 8.0243 119.8361 54.1639 31.2334 176.5750 53 G 4.8455 6.8977 114.5673 45.9657 0.0000 171.4428 54 Q 4.7599 7.3238 118.5275 53.9054 33.3136 173.6301 55 N 5.6747 8.5403 116.9245 51.7289 42.2353 173.9388 56 I 4.8416 8.7013 112.2339 59.3551 41.7156 174.2952 57 R 4.8212 9.1616 124.1882 54.6422 32.4878 173.9340 58 L 5.0804 9.1284 129.3817 53.5626 44.3239 174.8257 59 E 5.2114 9.1319 125.1145 54.8661 33.3402 174.8334 60 T 4.8252 8.7179 117.6370 60.5863 71.3823 172.3575 61 I 4.5609 8.1029 129.3687 60.4439 38.1427 175.2898 62 V 4.7138 8.7312 120.1045 59.3200 36.9729 175.1428 63 S 4.6473 8.5189 116.3889 57.6914 63.8068 175.1293 64 E 4.0016 8.5940 119.4374 59.2607 29.2094 179.0693 65 E 3.9461 8.0332 118.3573 59.3933 29.8522 179.1452 66 V 3.5805 7.7318 118.8193 65.2698 31.4347 177.7720 67 A 3.9574 8.0636 120.6501 55.3228 18.2017 179.7045 68 L 3.9183 7.6895 117.5299 57.6239 41.6244 179.7814 69 R 3.8594 7.8579 118.7895 59.4175 30.0758 178.6127 70 I 3.6949 7.9906 119.8397 64.5456 37.1683 178.5184 71 L 4.0302 8.1842 120.0071 57.5490 41.3801 179.3918 72 Q 3.8934 8.2755 119.7699 59.2708 29.0045 178.2573 73 R 3.9786 8.0421 119.6588 59.4312 30.0530 178.4148 74 L 4.3005 8.0980 118.7539 57.9545 41.4694 179.1742 75 Q 3.7511 7.8737 118.1173 59.3252 29.0069 178.0562 76 E 4.1116 8.0775 118.2768 59.5823 29.7136 178.7986 77 E 4.0256 8.5081 117.9010 58.4345 29.9454 177.8349 78 Y 4.6740 8.0055 115.1672 59.8806 39.1965 177.7495 79 F 3.9795 9.1101 119.0575 60.3798 38.7927 176.0268 80 P 4.4234 0.0000 0.0000 64.7981 31.3147 176.6703 81 H 4.5594 7.5822 109.7667 55.5505 30.4719 173.6212 82 Y 4.7315 7.8898 115.2034 55.7036 41.3969 175.3301 83 A 4.3197 8.5541 124.8915 51.3766 17.9862 177.1526 84 V 4.6431 7.5595 120.0852 60.6542 34.9809 175.1065 85 I 4.8160 8.4635 122.1711 59.6451 40.3472 174.5378 86 A 5.3412 8.9514 127.2750 50.8991 22.3001 174.4944 87 Y 4.8928 8.5192 118.9247 56.2433 42.0679 173.4863 88 V 5.0482 8.5032 118.5022 61.3070 34.8183 174.1498 89 E 4.9124 8.9548 124.1979 54.5578 34.2098 173.9850 90 N 4.9736 8.7595 120.6115 53.1864 40.0396 174.5788 91 V 4.7921 8.7189 117.9502 59.5788 36.8120 174.0615 92 W 4.9731 8.9535 121.9605 54.9533 31.4842 175.2973 93 V 4.5299 8.9766 124.7518 60.6982 34.0890 174.7652 94 V 4.1854 8.6046 127.7288 63.5256 31.8503 175.7212 95 R 4.2310 8.6455 126.6751 55.9979 28.4057 178.5070 96 G 3.9123 8.1330 104.6431 47.1559 0.0000 174.9376 97 E 4.0817 8.3578 121.0376 59.4274 29.2033 178.8864 98 K 4.0184 7.4523 116.1457 58.8302 32.6743 177.6459 99 Y 4.5536 7.8840 117.2883 57.9399 38.3700 175.7284 100 V 4.0078 7.4796 124.8367 61.6426 31.7216 175.6062 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 2 D 8.22 4.72 0.00 2.85 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 3 L 8.39 5.22 0.00 1.79 1.93 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.53 4.50 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 0.76 0.00 0.00 0.90 0.00 0.00 5 P 0.00 3.83 0.00 1.45 0.49 0.00 3.21 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.30 0.00 6 L 8.63 4.61 0.00 1.44 1.65 1.03 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.91 5.04 0.00 1.67 1.63 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.46 7.81 8 L 8.76 4.88 0.00 1.69 1.51 0.84 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.62 4.69 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 0.82 0.00 0.00 0.89 0.00 0.00 10 T 8.47 4.92 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 0.93 0.00 0.00 11 I 8.84 4.93 1.75 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.74 0.80 0.00 0.00 12 V 8.79 4.80 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 0.96 0.00 0.00 0.97 0.00 0.00 13 A 8.56 4.74 1.10 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 0.00 0.00 14 E 8.97 4.50 0.00 1.99 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 2.36 2.27 0.00 15 S 8.84 4.09 0.00 4.07 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 0.00 16 L 7.78 4.11 0.00 1.60 1.74 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.88 4.14 0.00 1.74 1.48 0.53 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.95 3.79 0.00 2.07 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 2.25 2.28 0.00 19 K 7.97 3.79 0.00 1.79 1.76 0.00 1.88 0.00 0.00 1.78 0.00 0.00 3.22 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.47 7.81 20 R 7.83 4.06 0.00 2.02 2.09 0.00 3.21 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 21 L 7.83 3.68 0.00 1.48 1.46 0.70 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.65 3.11 2.02 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 0.64 0.00 0.00 0.34 0.00 0.00 23 E 7.95 3.94 0.00 2.21 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 2.30 2.49 0.00 24 E 8.21 3.92 0.00 2.24 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 2.35 2.42 0.00 25 V 7.84 3.63 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 0.69 0.00 0.00 0.87 0.00 0.00 26 K 7.94 4.27 0.00 1.80 1.86 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.51 1.42 7.81 27 R 7.85 3.93 0.00 1.96 2.15 0.00 3.26 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 28 L 7.64 4.40 0.00 1.67 1.68 0.98 0.79 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 29 G 7.73 3.98 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 0.00 0.00 0.00 30 A 8.62 4.18 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 31 K 9.16 4.50 0.00 1.88 1.86 0.00 1.98 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.62 7.81 32 G 7.61 4.18 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 0.00 33 Y 7.14 4.91 0.00 3.03 2.90 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 34 T 8.73 4.65 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 35 I 8.36 5.25 1.95 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 1.47 0.95 0.94 0.00 0.00 36 T 8.90 4.86 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 37 P 0.00 4.73 0.00 2.10 2.10 0.00 3.75 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 1.99 1.98 0.00 38 A 8.64 4.91 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 39 R 8.61 4.83 0.00 1.76 1.86 0.00 2.98 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 40 G 8.20 4.14 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 0.00 0.00 0.00 41 E 8.79 3.77 0.00 1.94 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 2.31 2.35 0.00 42 G 10.12 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 43 S 7.44 4.43 0.00 3.94 3.76 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 *52 E 8.02 4.28 0.00 2.05 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 2.21 2.32 0.00 53 G 6.90 4.85 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 54 Q 7.32 4.76 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.02 6.62 0.00 0.00 0.00 0.00 0.00 2.66 2.40 0.00 55 N 8.54 5.67 0.00 2.81 2.83 0.00 0.00 6.94 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 56 I 8.70 4.84 1.85 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 1.06 0.72 0.90 0.00 0.00 57 R 9.16 4.82 0.00 1.82 1.92 0.00 3.07 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 58 L 9.13 5.08 0.00 1.64 1.41 0.67 0.75 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 59 E 9.13 5.21 0.00 1.88 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 2.12 2.14 0.00 60 T 8.72 4.83 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 1.16 0.00 0.00 61 I 8.10 4.56 0.98 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.42 0.60 0.00 0.00 62 V 8.73 4.71 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 0.77 0.00 0.00 0.90 0.00 0.00 63 S 8.52 4.65 0.00 4.11 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 64 E 8.59 4.00 0.00 2.19 2.22 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 2.33 2.34 0.00 65 E 8.03 3.95 0.00 2.17 2.23 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 2.35 2.30 0.00 66 V 7.73 3.58 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 1.14 0.00 0.00 0.93 0.00 0.00 67 A 8.06 3.96 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 68 L 7.69 3.92 0.00 1.74 1.72 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.86 3.86 0.00 2.01 2.11 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 70 I 7.99 3.69 2.01 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 1.50 0.75 0.87 0.00 0.00 71 L 8.18 4.03 0.00 1.65 1.68 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.28 3.89 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 73 R 8.04 3.98 0.00 2.03 2.14 0.00 3.77 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.95 0.00 74 L 8.10 4.30 0.00 2.05 2.09 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 7.87 3.75 0.00 1.89 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.15 0.00 76 E 8.08 4.11 0.00 2.16 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 2.35 2.57 0.00 77 E 8.51 4.03 0.00 2.09 1.46 0.00 0.00 0.00 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 2.33 0.00 78 Y 8.01 4.67 0.00 3.36 3.16 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 79 F 9.11 3.98 0.00 3.32 3.23 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 80 P 0.00 4.42 0.00 2.19 2.18 0.00 3.70 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 81 H 7.58 4.56 0.00 2.35 2.62 0.00 5.61 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.89 4.73 0.00 2.94 2.79 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 0.00 0.00 0.00 83 A 8.55 4.32 1.25 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 0.00 0.00 0.00 84 V 7.56 4.64 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 0.31 0.00 0.00 0.46 0.00 0.00 85 I 8.46 4.82 1.95 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 1.22 0.69 1.13 0.00 0.00 86 A 8.95 5.34 1.40 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 87 Y 8.52 4.89 0.00 2.98 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 88 V 8.50 5.05 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 0.88 0.00 0.00 0.96 0.00 0.00 89 E 8.95 4.91 0.00 1.99 1.83 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 2.35 2.48 0.00 90 N 8.76 4.97 0.00 2.76 2.79 0.00 0.00 6.78 7.71 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 91 V 8.72 4.79 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 0.73 0.00 0.00 0.93 0.00 0.00 92 W 8.95 4.97 0.00 3.11 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 93 V 8.98 4.53 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 1.06 0.00 0.00 0.91 0.00 0.00 94 V 8.60 4.19 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 0.87 0.00 0.00 0.99 0.00 0.00 95 R 8.65 4.23 0.00 2.00 1.93 0.00 3.34 0.00 0.00 3.50 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 96 G 8.13 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 97 E 8.36 4.08 0.00 2.03 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 2.40 2.44 0.00 98 K 7.45 4.02 0.00 1.63 1.72 0.00 1.01 0.00 0.00 1.42 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 0.21 7.81 99 Y 7.88 4.55 0.00 3.06 3.16 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 0.00 100 V 7.48 4.01 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 0.67 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.