NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *19 W 4.7296 8.1333 121.3338 55.9579 31.1142 177.1362 20 K 4.1014 8.0598 116.3762 58.8717 31.5013 177.1575 21 D 4.3469 8.8326 119.5808 57.5047 41.7913 178.0120 22 K 4.3607 7.9755 119.8478 58.6633 32.1205 178.7822 23 E 3.9509 8.9374 120.2056 59.3440 29.5238 178.7863 24 F 4.2251 8.4236 120.4898 61.4380 39.0416 177.0586 25 Q 3.9519 8.3130 117.7220 58.9230 28.4321 179.0680 26 V 3.6225 8.4673 119.4613 66.0547 31.5280 178.0582 27 L 3.9491 8.0382 118.7298 57.6021 41.3717 179.2119 28 F 3.2277 8.3117 120.9558 61.0116 39.2115 177.2011 29 V 3.2759 7.9005 117.9047 65.9953 31.2660 177.7996 30 L 3.8652 7.9632 118.8168 58.1581 41.3619 179.7821 31 T 3.6120 7.7141 115.6890 66.5030 68.3078 176.8418 32 I 3.3769 7.1617 121.7540 64.2849 36.9952 178.5068 33 L 4.0270 7.9677 120.0926 58.1124 41.5117 179.8035 34 T 3.9475 7.9325 115.8138 66.5537 68.2921 176.8722 35 L 4.2097 8.1149 121.2853 57.6785 41.5824 179.5586 36 I 3.7057 8.2962 120.2948 64.3323 37.0599 178.1577 37 S 4.2307 8.4064 114.3183 61.6542 62.1989 176.6633 38 G 3.6219 8.1375 109.1852 47.2877 0.0000 175.9412 39 T 4.0336 8.1769 118.1316 66.6616 68.5045 176.6939 40 I 3.6723 8.0993 122.0928 64.2900 37.0195 178.2477 41 F 3.5233 7.8849 121.1645 61.5101 39.2339 176.9466 42 Y 3.9882 7.7598 116.4444 60.7594 37.2559 178.5530 43 S 4.9474 8.5197 117.1676 60.6414 63.2033 176.3460 44 T 3.9709 7.3992 112.5817 63.9540 69.0339 177.3773 45 V 3.3918 7.2111 121.3387 64.3053 31.4926 176.3885 46 E 4.3866 7.8060 115.9030 55.0653 30.2082 175.5008 47 G 3.9454 7.0772 106.2760 46.3279 0.0000 173.4984 48 L 4.6086 7.2585 116.7549 52.2976 44.5540 177.1779 49 R 4.3186 8.0440 119.6621 55.5436 31.9345 176.1070 50 P 4.2716 0.0000 0.0000 66.0623 31.3641 178.8381 51 I 3.6990 7.6973 116.6539 64.2032 37.9457 177.5970 52 D 4.3397 7.9230 119.0971 57.2691 40.7852 178.4273 53 A 4.1609 8.4884 121.7877 54.9254 18.3434 179.5289 54 L 4.0911 8.2721 120.6142 57.7782 42.1431 178.4685 55 Y 3.9565 8.1413 119.5253 60.8224 38.9432 177.8357 56 F 4.2149 8.8897 121.9410 61.4174 39.3973 177.2294 57 S 4.3358 8.2798 114.8227 61.6088 62.7043 176.8865 58 V 3.4522 7.8139 120.8080 66.1595 31.2714 178.5562 59 V 3.5671 7.6016 111.7252 63.8812 31.3742 178.8950 60 T 3.7674 7.3540 115.6977 66.5193 68.2150 176.9269 61 L 4.0187 7.5868 119.0415 56.7509 41.7116 178.4758 62 T 3.9996 7.3799 107.6294 60.8720 69.2862 175.3241 63 T 3.4591 7.4918 110.3377 62.3879 68.2106 173.0438 64 V 3.5527 7.3512 122.3339 65.0314 31.6232 177.7343 65 G 4.0693 8.7303 103.2358 45.6311 0.0000 171.7936 66 D 5.0536 8.4330 118.5574 52.1389 42.7967 176.5329 67 G 3.9059 8.9432 115.0657 47.0909 0.0000 173.3496 68 N 4.9189 8.3290 115.5841 52.7780 41.1468 174.3479 69 F 4.9025 7.8634 118.7417 56.3142 41.3190 174.8722 70 S 4.2280 6.7963 121.5184 55.6740 66.6991 172.1896 71 P 3.9720 0.0000 0.0000 63.5303 31.5642 176.1743 72 Q 4.2766 8.9549 121.1589 57.3354 30.0990 177.0531 73 T 4.5137 7.8897 108.1365 60.7557 71.6100 175.7210 74 D 4.5503 8.6502 122.1714 57.1015 40.7844 178.8102 75 F 4.8342 8.4236 121.5807 61.2584 39.5698 177.3344 76 G 3.9793 8.7300 105.7049 47.3512 0.0000 176.1234 77 K 4.1819 8.1283 120.9072 59.5706 32.2753 179.5287 78 I 3.9181 7.8341 112.9857 63.6351 37.3968 178.1559 79 F 3.8527 8.0582 122.8240 61.4595 39.0937 177.0660 80 T 4.0623 8.2861 115.4112 66.9235 68.1732 176.4661 81 I 3.7900 7.9060 121.4526 64.5856 37.1616 178.5747 82 L 4.0917 7.8814 119.6758 57.7973 41.1763 178.8483 83 Y 3.9139 8.4274 120.2712 60.5308 38.5320 178.2673 84 I 3.5434 8.0770 120.9958 64.5163 37.0495 178.5033 85 F 4.0443 7.6306 116.9681 60.5474 38.7879 177.4657 86 I 4.0831 7.9965 118.6991 63.3033 37.2587 177.7372 87 G 3.5979 8.1124 106.2498 46.1589 0.0000 175.9425 88 I 3.9848 7.8360 122.5013 64.3191 37.1296 178.3621 89 G 3.7527 8.1271 105.9015 47.8415 0.0000 175.1460 90 L 3.9241 7.8098 122.6427 57.7796 42.1821 178.9476 91 V 3.5351 7.8534 118.2337 66.1559 31.4309 177.9090 92 F 4.1158 8.5797 117.2719 59.7708 38.7561 178.1255 93 G 3.6819 8.1324 106.1115 47.5897 0.0000 175.7253 94 F 4.2990 8.5637 123.3896 61.1785 39.4131 177.3472 95 I 3.4178 8.0046 119.6545 64.3822 36.7529 177.8454 96 H 4.1107 8.4005 119.0015 59.3960 29.7627 177.5061 97 K 3.9149 8.0556 120.2431 59.2457 31.7810 179.0849 98 L 3.7513 8.1390 120.8447 57.9215 41.8572 178.9749 99 A 4.2346 7.8886 121.9681 54.8656 18.1887 179.8238 100 V 3.5191 7.7007 115.3959 65.0997 31.7551 176.9662 101 N 4.7206 8.2717 113.7841 52.8714 39.4461 174.8550 102 V 3.9770 7.0781 117.7186 64.2011 33.7402 177.4449 103 Q 3.8878 8.3455 118.9647 58.6868 28.4381 178.2449 104 L 3.8863 8.0323 121.6372 57.8925 42.0991 177.3402 105 P 4.1784 0.0000 0.0000 65.4821 31.2932 178.5815 106 S 4.0313 7.8533 111.5983 61.3331 62.0852 176.2771 107 I 3.6827 7.9619 121.7240 64.3537 37.1531 178.0460 108 L 4.1331 8.1152 120.2296 57.8804 41.6184 179.7986 109 S 4.1471 8.2254 114.1951 61.4303 62.6994 175.7115 110 N 4.6405 8.0258 117.6161 54.2898 38.5683 176.0926 111 L 4.5088 7.4443 119.2515 53.6063 42.7530 176.5955 112 V 3.8008 6.8635 119.1781 61.4875 32.0202 173.8759 113 P 4.4968 0.0000 0.0000 62.7133 32.1429 176.4497 114 R 4.1917 8.2885 118.7048 56.5474 30.9251 175.2000 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 *19 W 8.13 4.73 0.00 2.44 2.37 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 20 K 8.06 4.10 0.00 1.89 1.92 0.00 1.63 0.00 0.00 2.04 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.57 7.81 21 D 8.83 4.35 0.00 2.81 2.69 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 22 K 7.98 4.36 0.00 1.85 1.88 0.00 2.04 0.00 0.00 1.95 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.32 7.81 23 E 8.94 3.95 0.00 2.12 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 0.00 2.41 2.39 0.00 24 F 8.42 4.23 0.00 3.24 3.34 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 25 Q 8.31 3.95 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.85 0.00 26 V 8.47 3.62 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 1.12 0.00 0.00 1.04 0.00 0.00 27 L 8.04 3.95 0.00 1.99 1.90 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.31 3.23 0.00 2.61 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 29 V 7.90 3.28 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 1.00 0.00 0.00 1.04 0.00 0.00 30 L 7.96 3.87 0.00 1.77 1.61 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.71 3.61 3.51 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 0.82 0.00 0.00 32 I 7.16 3.38 1.54 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 -0.36 0.71 0.00 0.00 33 L 7.97 4.03 0.00 1.73 1.67 0.87 0.67 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 34 T 7.93 3.95 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 1.12 0.00 0.00 35 L 8.11 4.21 0.00 1.77 1.72 0.81 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.30 3.71 1.99 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 1.39 0.86 0.91 0.00 0.00 37 S 8.41 4.23 0.00 3.99 4.22 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 38 G 8.14 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.18 4.03 4.42 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 1.30 0.00 0.00 40 I 8.10 3.67 1.99 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 1.34 0.87 0.00 0.00 41 F 7.88 3.52 0.00 2.45 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 0.00 0.00 0.00 42 Y 7.76 3.99 0.00 3.19 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 43 S 8.52 4.95 0.00 4.05 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 44 T 7.40 3.97 4.12 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 0.00 0.00 0.00 1.16 0.00 0.00 45 V 7.21 3.39 0.67 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 0.46 0.00 0.00 0.33 0.00 0.00 46 E 7.81 4.39 0.00 2.19 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 0.00 2.22 2.68 0.00 47 G 7.08 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 48 L 7.26 4.61 0.00 1.59 1.36 -0.01 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.04 4.32 0.00 1.79 1.81 0.00 3.12 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 50 P 0.00 4.27 0.00 2.15 2.12 0.00 3.58 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 2.11 2.14 0.00 51 I 7.70 3.70 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.24 0.89 0.00 0.00 52 D 7.92 4.34 0.00 2.79 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 53 A 8.49 4.16 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 54 L 8.27 4.09 0.00 1.88 1.98 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.14 3.96 0.00 3.22 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 56 F 8.89 4.21 0.00 3.06 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 57 S 8.28 4.34 0.00 4.28 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 58 V 7.81 3.45 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 0.89 0.00 0.00 0.96 0.00 0.00 59 V 7.60 3.57 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 0.17 0.00 0.00 0.87 0.00 0.00 60 T 7.35 3.77 4.16 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 1.12 0.00 0.00 61 L 7.59 4.02 0.00 1.45 1.51 0.41 0.43 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 62 T 7.38 4.00 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 1.04 0.00 0.00 63 T 7.49 3.46 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 1.31 0.00 0.00 64 V 7.35 3.55 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 0.76 0.00 0.00 0.92 0.00 0.00 65 G 8.73 4.07 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 0.00 0.00 0.00 66 D 8.43 5.05 0.00 3.02 3.12 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 0.00 0.00 0.00 0.00 67 G 8.94 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 68 N 8.33 4.92 0.00 2.70 2.88 0.00 0.00 6.73 7.80 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 69 F 7.86 4.90 0.00 2.99 3.12 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 0.00 0.00 0.00 0.00 70 S 6.80 4.23 0.00 3.58 3.52 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 71 P 0.00 3.97 0.00 2.10 2.21 0.00 3.61 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 72 Q 8.95 4.28 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 73 T 7.89 4.51 4.36 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 1.29 0.00 0.00 74 D 8.65 4.55 0.00 2.88 2.85 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 75 F 8.42 4.83 0.00 3.06 3.12 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 0.00 0.00 0.00 0.00 76 G 8.73 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 77 K 8.13 4.18 0.00 2.13 1.96 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.74 7.81 78 I 7.83 3.92 1.98 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.06 1.15 0.00 0.00 79 F 8.06 3.85 0.00 2.45 2.75 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 80 T 8.29 4.06 4.61 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 0.00 0.00 0.00 1.49 0.00 0.00 81 I 7.91 3.79 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 1.10 0.00 0.00 82 L 7.88 4.09 0.00 1.67 1.63 0.93 0.76 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 83 Y 8.43 3.91 0.00 2.00 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 84 I 8.08 3.54 1.87 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 1.43 0.64 0.53 0.00 0.00 85 F 7.63 4.04 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 86 I 8.00 4.08 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 1.67 0.72 0.87 0.00 0.00 87 G 8.11 3.60 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 0.00 0.00 0.00 88 I 7.84 3.98 1.87 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 1.67 0.61 1.03 0.00 0.00 89 G 8.13 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 0.00 0.00 0.00 90 L 7.81 3.92 0.00 1.73 1.76 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.85 3.54 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 0.68 0.00 0.00 0.80 0.00 0.00 92 F 8.58 4.12 0.00 3.29 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 93 G 8.13 3.68 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 0.00 0.00 0.00 94 F 8.56 4.30 0.00 2.99 3.22 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 95 I 8.00 3.42 1.96 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.51 0.90 0.00 0.00 96 H 8.40 4.11 0.00 3.39 3.55 0.00 5.79 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 97 K 8.06 3.91 0.00 2.02 2.06 0.00 1.71 0.00 0.00 1.95 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.58 7.81 98 L 8.14 3.75 0.00 1.24 1.55 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.89 4.23 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 0.00 100 V 7.70 3.52 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 0.82 0.00 0.00 0.79 0.00 0.00 101 N 8.27 4.72 0.00 2.69 2.74 0.00 0.00 6.73 7.36 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 0.00 102 V 7.08 3.98 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 0.77 0.00 0.00 -0.18 0.00 0.00 103 Q 8.35 3.89 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 104 L 8.03 3.89 0.00 1.79 1.77 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.18 0.00 2.11 2.02 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 106 S 7.85 4.03 0.00 3.89 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 0.00 107 I 7.96 3.68 1.99 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 0.78 0.89 0.00 0.00 108 L 8.12 4.13 0.00 1.80 1.69 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.23 4.15 0.00 4.02 4.16 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 0.00 110 N 8.03 4.64 0.00 2.90 2.89 0.00 0.00 6.97 7.23 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 0.00 111 L 7.44 4.51 0.00 1.76 1.69 0.91 0.92 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 0.00 112 V 6.86 3.80 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 0.76 0.00 0.00 1.01 0.00 0.00 113 P 0.00 4.50 0.00 2.21 2.02 0.00 3.75 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 1.98 1.98 0.00 114 R 8.29 4.19 0.00 1.76 1.80 0.00 3.23 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00 * Residues marked with a * may have inaccurate shift predictions.