NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 M 4.6299 8.3049 118.7854 54.2473 32.4311 174.8976 10 V 3.8386 8.4877 118.9638 58.3135 32.7437 174.8634 11 K 3.9391 9.4091 125.7658 57.2539 34.0926 175.1255 12 I 4.9301 8.3223 128.4523 59.8128 37.7175 176.0126 13 V 4.2251 8.3732 121.2388 61.6359 31.9468 176.8106 14 T 4.6317 8.6482 111.7160 60.8125 70.0784 174.2228 15 S 4.6821 7.5278 116.3919 56.1913 67.1636 174.5304 16 Q 3.9852 8.6737 123.1466 59.1341 28.9101 177.8963 17 A 4.0170 8.1270 121.4986 55.5208 18.4880 179.1569 18 E 3.9911 7.7225 118.5904 58.6229 29.6257 178.6885 19 F 4.0464 8.2712 120.7342 61.4388 39.3186 176.5938 20 D 4.2460 8.2698 117.5440 57.4817 41.1562 178.7551 21 S 4.3061 8.1040 112.6609 59.7408 63.0897 176.0339 22 I 3.9107 7.0226 123.0698 62.5722 37.3373 176.1424 23 I 3.3981 6.9060 120.9446 60.3179 38.5087 174.5006 *29 V 4.0936 8.1421 126.5056 62.8119 33.0591 173.3729 30 I 5.0468 8.3442 127.8695 59.1556 40.4296 174.3199 31 V 4.8665 9.0829 128.7530 59.9436 34.3163 173.8867 32 D 4.2331 8.8202 125.2153 52.5387 42.0604 175.4448 33 F 4.9403 8.9054 127.8231 56.5708 39.2007 175.0468 34 F 4.8403 8.9085 119.6743 55.0811 41.5454 173.9263 35 A 4.3845 7.6274 117.1625 50.8570 21.4600 177.5295 36 E 4.0839 8.1187 119.0254 58.0228 29.7135 178.0744 37 W 4.5452 7.2828 114.4210 56.5490 29.0565 177.0602 38 C 4.8628 7.6095 120.5356 54.5372 43.3111 173.9165 39 G 3.7260 8.6327 115.4526 47.6225 0.0000 171.5581 40 P 4.2923 0.0000 0.0000 65.4868 31.0924 179.1186 41 C 4.2354 8.0839 113.2664 60.1436 35.8398 175.9544 42 K 4.0631 7.8802 119.3122 59.5070 31.4036 179.4830 43 R 3.9530 7.8095 117.3051 59.2735 30.3681 178.3167 44 I 4.1427 7.8022 115.9135 61.8986 38.0963 177.1456 45 A 4.0638 7.7199 122.2677 55.6672 18.1102 177.7260 46 P 4.2730 0.0000 0.0000 65.7894 31.2961 178.6249 47 F 4.3240 8.3087 119.0442 61.1587 39.5711 176.6112 48 Y 4.0825 8.3033 119.3962 60.6679 38.4518 177.5568 49 E 3.7649 8.4390 119.4171 59.1445 30.1179 178.1003 50 E 3.9240 8.3063 119.4525 59.5793 29.6913 178.5701 51 C 3.9894 7.9062 117.1637 62.7126 27.8742 176.3112 52 S 2.7900 6.8054 114.5835 60.4728 62.3543 176.4584 53 K 3.9161 7.3054 120.9642 58.1772 31.7593 177.9327 54 T 4.2110 7.0633 110.7819 63.2008 69.7640 175.4853 55 Y 4.5243 7.3634 120.9272 57.4349 35.2279 176.0550 56 T 3.7878 7.7961 116.4252 63.6073 68.2943 175.8375 57 K 4.3606 7.5723 119.2108 58.5036 32.3000 176.5574 58 M 4.8415 7.6016 116.8490 53.6222 35.5133 174.2850 59 V 4.3430 8.2753 118.1317 60.6223 33.6439 174.7486 60 F 5.1802 9.0910 124.2631 56.1406 40.1044 175.2097 61 I 4.9664 9.1226 117.3638 58.9897 41.4801 174.3921 62 K 5.0559 9.2274 122.6451 54.6652 35.2907 175.2531 63 V 4.6452 8.7571 124.8983 60.9660 34.3366 173.7915 64 D 3.8218 8.4384 127.9426 53.2251 41.3089 176.9245 65 V 3.5838 8.2680 121.1845 64.3071 31.5442 177.4728 66 D 4.6130 8.2335 118.5899 55.8754 41.7130 177.3861 67 E 4.0104 8.5843 119.6505 58.3483 30.4546 177.1038 68 V 4.9185 8.0824 116.6940 59.6691 31.6275 176.0408 69 S 4.2650 7.9211 119.9566 61.2137 63.0466 175.9800 70 E 3.8766 8.2555 121.3362 59.3343 29.0570 179.5629 71 V 3.5412 7.7941 118.1606 66.1981 31.1767 178.2848 72 T 3.5352 7.7173 108.9948 64.7362 67.9830 176.0422 73 E 3.9311 8.4016 121.6865 59.0606 29.2647 179.3155 74 K 4.0030 7.4001 116.2682 59.3026 32.2565 178.4619 75 E 4.2240 8.1841 116.0015 55.3585 31.0012 176.0163 76 N 3.8925 7.2354 115.8001 54.3541 37.3884 173.4145 77 I 4.0659 7.4978 118.4758 60.1168 38.0297 176.1306 78 T 4.1593 8.4380 115.6884 63.2940 69.6724 175.1919 79 S 4.7057 7.6601 115.6376 55.9790 64.2066 172.4500 80 M 4.6152 8.2787 122.8585 52.9348 34.4593 173.4715 81 P 4.7575 0.0000 0.0000 62.4472 34.1814 174.5852 82 T 5.1074 8.0786 114.1440 61.8004 72.4780 173.3327 83 F 5.2711 9.1967 124.6241 55.8266 41.4207 174.6348 84 K 5.1218 9.2752 123.7097 54.6631 35.0599 175.6070 85 V 4.8399 8.4796 117.6163 59.8064 34.2151 174.3682 86 Y 5.5344 9.0541 122.2666 55.0756 40.6435 175.1536 87 K 4.4753 8.3261 123.9849 55.6209 35.1876 175.9820 88 N 4.1216 9.7618 119.7950 53.8096 36.2932 175.1970 89 G 4.0060 8.6014 105.7284 45.6035 0.0000 173.4407 90 S 4.8583 8.1917 115.5398 56.0219 66.1017 173.4660 91 S 3.6553 8.6647 117.6492 58.5103 62.2469 172.9582 92 V 4.1541 8.1988 127.6085 64.1392 32.2592 175.0089 93 D 5.1135 7.6566 118.6754 52.6723 45.1573 173.5318 94 T 5.1208 8.3532 116.4121 60.4404 70.8915 172.4599 95 L 4.8232 9.2951 130.5314 53.2672 44.8892 175.1174 96 L 4.6300 8.7633 126.6708 55.3848 42.7782 177.6997 97 G 3.9445 9.0945 108.7700 45.5399 0.0000 173.4004 98 A 4.8472 8.0922 119.0334 50.4777 18.6189 176.0403 99 N 4.8232 7.6812 120.2674 51.1198 41.3595 173.7072 100 D 4.0527 8.5535 128.1681 57.6811 41.0587 178.8581 101 S 4.0222 7.9762 112.5577 61.2122 62.4007 175.8697 102 A 3.9636 8.0442 123.0073 55.1207 18.1883 179.3869 103 L 3.7662 8.1725 119.1745 58.0698 42.0385 179.0280 104 K 4.0468 8.5608 119.8874 59.6518 32.2248 178.8251 105 Q 3.9494 8.0724 118.2075 58.7607 28.4006 178.3999 106 L 3.9895 7.6706 120.3330 58.2237 42.3742 178.8592 107 I 3.7748 7.7816 119.6722 64.3685 36.5785 177.8724 108 E 3.6400 8.2245 120.4693 59.2178 29.1065 178.7476 109 K 3.4489 7.7394 118.3924 58.7288 32.1240 176.7543 110 Y 4.5476 7.4230 113.8477 57.5299 40.4477 175.4096 111 A 4.3653 8.1870 126.6885 52.2107 19.3348 175.4143 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 9 M 8.30 4.63 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 10 V 8.49 3.84 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 0.70 0.00 0.00 1.08 0.00 0.00 11 K 9.41 3.94 0.00 1.86 1.74 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.51 7.81 12 I 8.32 4.93 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.74 1.10 0.00 0.00 13 V 8.37 4.23 2.19 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 0.73 0.00 0.00 1.10 0.00 0.00 14 T 8.65 4.63 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 1.28 0.00 0.00 15 S 7.53 4.68 0.00 4.04 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 16 Q 8.67 3.99 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 17 A 8.13 4.02 1.35 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 18 E 7.72 3.99 0.00 1.93 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 2.32 2.19 0.00 19 F 8.27 4.05 0.00 3.20 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 20 D 8.27 4.25 0.00 2.93 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 21 S 8.10 4.31 0.00 4.03 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 22 I 7.02 3.91 1.79 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 1.35 0.51 0.77 0.00 0.00 23 I 6.91 3.40 0.85 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.66 0.49 0.00 0.00 *29 V 8.14 4.09 1.98 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 0.69 0.00 0.00 0.86 0.00 0.00 30 I 8.34 5.05 1.56 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 1.48 1.68 -0.13 0.00 0.00 31 V 9.08 4.87 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 1.03 0.00 0.00 0.15 0.00 0.00 32 D 8.82 4.23 0.00 1.58 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 33 F 8.91 4.94 0.00 3.05 2.84 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 34 F 8.91 4.84 0.00 2.89 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 35 A 7.63 4.38 -0.03 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 0.00 0.00 36 E 8.12 4.08 0.00 2.02 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 0.00 2.40 2.46 0.00 37 W 7.28 4.55 0.00 3.50 3.19 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 0.00 38 C 7.61 4.86 0.00 2.16 2.41 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 0.00 39 G 8.63 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 40 P 0.00 4.29 0.00 2.18 2.17 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 41 C 8.08 4.24 0.00 3.02 3.15 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 42 K 7.88 4.06 0.00 1.96 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.48 1.49 7.81 43 R 7.81 3.95 0.00 2.01 2.04 0.00 3.17 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 44 I 7.80 4.14 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 1.22 0.00 0.00 45 A 7.72 4.06 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 46 P 0.00 4.27 0.00 2.27 2.17 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 47 F 8.31 4.32 0.00 3.15 3.33 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 48 Y 8.30 4.08 0.00 3.29 3.25 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 49 E 8.44 3.76 0.00 2.13 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 2.28 2.29 0.00 50 E 8.31 3.92 0.00 2.30 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 51 C 7.91 3.99 0.00 2.96 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 52 S 6.81 2.79 0.00 2.82 2.88 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 0.00 0.00 0.00 53 K 7.31 3.92 0.00 1.80 1.75 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.27 7.81 54 T 7.06 4.21 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 0.90 0.00 0.00 55 Y 7.36 4.52 0.00 3.22 2.96 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 56 T 7.80 3.79 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 1.22 0.00 0.00 57 K 7.57 4.36 0.00 1.83 1.92 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.44 7.81 58 M 7.60 4.84 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 59 V 8.28 4.34 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 0.70 0.00 0.00 0.92 0.00 0.00 60 F 9.09 5.18 0.00 2.59 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 61 I 9.12 4.97 1.93 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 1.21 0.91 0.93 0.00 0.00 62 K 9.23 5.06 0.00 1.71 1.67 0.00 0.61 0.00 0.00 1.39 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.40 7.81 63 V 8.76 4.65 1.71 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 1.02 0.00 0.00 0.81 0.00 0.00 64 D 8.44 3.82 0.00 2.03 2.27 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 65 V 8.27 3.58 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 0.70 0.00 0.00 1.00 0.00 0.00 66 D 8.23 4.61 0.00 2.88 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 67 E 8.58 4.01 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 2.32 2.24 0.00 68 V 8.08 4.92 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 1.21 0.00 0.00 0.92 0.00 0.00 69 S 7.92 4.26 0.00 4.05 4.11 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 70 E 8.26 3.88 0.00 2.05 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 2.40 2.43 0.00 71 V 7.79 3.54 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 0.36 0.00 0.00 0.60 0.00 0.00 72 T 7.72 3.54 4.03 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 1.26 0.00 0.00 73 E 8.40 3.93 0.00 2.00 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 2.27 2.45 0.00 74 K 7.40 4.00 0.00 2.03 1.90 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.48 7.81 75 E 8.18 4.22 0.00 1.64 1.79 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 2.46 2.70 0.00 76 N 7.24 3.89 0.00 2.75 2.73 0.00 0.00 7.07 7.82 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 77 I 7.50 4.07 1.58 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.26 0.70 0.00 0.00 78 T 8.44 4.16 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 1.18 0.00 0.00 79 S 7.66 4.71 0.00 3.87 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 80 M 8.28 4.62 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 81 P 0.00 4.76 0.00 1.72 2.01 0.00 3.73 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 2.31 2.04 0.00 82 T 8.08 5.11 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 1.27 0.00 0.00 83 F 9.20 5.27 0.00 3.03 3.01 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 0.00 84 K 9.28 5.12 0.00 2.14 1.53 0.00 1.48 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.92 7.81 85 V 8.48 4.84 1.63 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 0.69 0.00 0.00 0.32 0.00 0.00 86 Y 9.05 5.53 0.00 2.59 2.84 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 87 K 8.33 4.48 0.00 1.65 1.59 0.00 1.95 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.40 1.42 7.81 88 N 9.76 4.12 0.00 2.92 2.94 0.00 0.00 7.18 7.65 0.00 0.00 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 G 8.60 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 0.00 0.00 0.00 0.00 90 S 8.19 4.86 0.00 3.85 3.75 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 0.00 0.00 0.00 0.00 91 S 8.66 3.66 0.00 3.75 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 92 V 8.20 4.15 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 0.88 0.00 0.00 0.90 0.00 0.00 93 D 7.66 5.11 0.00 2.89 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 94 T 8.35 5.12 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 95 L 9.30 4.82 0.00 1.81 1.62 0.96 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.76 4.63 0.00 1.62 1.62 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 97 G 9.09 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 98 A 8.09 4.85 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 99 N 7.68 4.82 0.00 2.76 2.69 0.00 0.00 7.04 8.49 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 0.00 100 D 8.55 4.05 0.00 2.48 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 0.00 0.00 0.00 101 S 7.98 4.02 0.00 3.83 3.99 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 0.00 102 A 8.04 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.17 3.77 0.00 1.52 1.93 0.17 0.61 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 0.00 104 K 8.56 4.05 0.00 2.37 2.03 0.00 1.82 0.00 0.00 1.98 0.00 0.00 3.18 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.85 7.81 105 Q 8.07 3.95 0.00 2.39 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 106 L 7.67 3.99 0.00 1.64 1.85 1.03 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.78 3.77 1.74 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.38 0.49 0.00 0.00 108 E 8.22 3.64 0.00 2.18 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 2.28 2.32 0.00 109 K 7.74 3.45 0.00 1.88 1.30 0.00 1.67 0.00 0.00 1.13 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.02 1.28 7.81 110 Y 7.42 4.55 0.00 2.77 2.93 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 0.00 111 A 8.19 4.37 1.30 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 * Residues marked with a * may have inaccurate shift predictions.