NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 3.9839 8.2993 119.9884 56.6960 32.8632 175.1585 12 F 4.6071 7.7383 120.9573 54.4415 38.2625 174.9333 13 R 3.9618 9.1784 126.3158 57.8284 32.2810 181.2473 14 V 3.3580 7.9484 112.6891 63.3132 31.8486 173.4906 15 R 4.6919 9.2161 108.4563 55.9600 27.9804 177.1208 16 N 4.3990 7.7241 116.5526 56.1497 38.8721 176.5480 17 R 4.1280 7.5137 113.7871 56.2272 30.6022 175.1457 18 I 3.4994 8.5959 117.0458 60.7607 37.3024 173.3484 19 K 4.4656 7.1624 120.7778 56.4246 31.9826 176.4149 20 R 4.5967 7.2377 116.5095 55.0315 33.1693 177.1621 21 T 4.4774 8.1502 115.3512 62.8918 70.8249 174.0466 22 G 3.9963 8.0342 104.6787 45.1024 0.0000 171.6405 23 R 3.0561 8.8648 116.0451 56.9226 29.1515 175.0443 24 L 3.6171 8.2340 116.6335 55.5474 38.7160 174.3219 25 R 4.1480 8.6414 122.3170 55.1082 31.4153 176.3174 26 L 4.7159 7.9004 124.8405 53.5574 40.4891 175.9110 27 S 4.4844 8.2520 116.8562 57.8380 63.8646 173.4769 28 V 4.8585 8.1515 123.3607 61.2704 35.7113 173.4124 29 F 5.5027 9.3929 127.4278 56.5191 42.6381 173.3065 30 R 4.5070 8.7168 126.4180 54.7611 31.2731 174.9949 31 S 4.2736 8.0299 121.7701 55.9779 64.2719 174.8743 32 L 3.9318 8.3162 123.4139 57.1430 41.3820 178.6327 33 K 4.4308 7.2349 114.7724 55.7922 32.6912 175.1749 34 H 4.4317 7.1984 116.0330 56.7264 32.7209 172.5872 35 I 4.8165 6.9529 114.5359 62.2173 39.6116 173.4455 36 Y 4.7584 7.5842 126.4685 57.7510 40.0044 174.9800 37 A 4.8902 8.7048 122.5795 51.6882 22.4521 175.2514 38 Q 4.7464 8.7119 120.6005 55.2593 31.7325 175.4298 39 I 4.8576 9.1017 124.3104 59.6574 37.4228 175.0589 40 I 3.9697 8.0166 127.7073 60.8060 39.1781 174.5662 41 D 5.0015 8.5021 124.4675 52.8155 43.0123 175.6992 42 D 4.8054 8.5353 126.2685 54.3691 42.2572 177.3358 43 E 3.9144 9.6752 117.0877 56.8512 27.0250 174.4230 44 K 4.5868 8.0190 117.5748 58.3676 39.0559 175.8012 45 G 4.0508 8.1123 107.7120 46.1980 0.0000 174.2469 46 V 3.8254 7.7510 118.7030 63.0641 31.9900 174.0475 47 T 4.8224 8.0458 115.7653 62.1883 71.7242 174.0095 48 L 4.4857 7.8919 125.0395 55.1343 43.0882 176.7920 49 V 4.4227 7.0337 115.4836 62.0948 34.6647 171.4132 50 S 5.3569 8.4487 120.4383 56.7038 67.1936 172.6904 51 A 4.4615 7.7771 116.8498 51.4937 22.9154 175.9268 52 S 5.3791 8.7867 116.8451 55.6138 66.4296 176.6257 53 S 4.6268 8.3747 114.4207 57.1381 61.2870 176.2717 54 L 3.5433 8.9925 117.0191 57.3538 41.4509 177.9379 55 A 4.1033 7.1685 117.2987 53.4938 17.7241 177.2965 56 L 4.3643 7.6714 117.6715 54.1911 43.6749 175.6828 57 K 4.0561 8.2939 125.5482 58.0158 37.3156 175.2765 58 L 3.2922 7.3480 113.6077 55.4978 43.4802 175.3555 59 K 4.6381 7.9774 122.0730 57.0925 30.9464 178.1933 60 G 4.0997 8.5329 114.5980 46.1823 0.0000 172.3350 61 N 4.1714 7.7138 118.3252 52.5641 38.8403 175.1507 62 K 4.7508 7.3217 122.9862 57.2787 31.3297 177.5690 63 T 3.8249 7.4086 109.8750 65.2253 69.5906 176.5050 64 E 3.8764 9.6411 123.9762 58.4388 29.5873 179.1599 65 V 3.6069 7.7252 117.7105 65.8068 31.7983 177.2228 66 A 3.9961 7.9157 120.6131 56.4644 18.1761 179.2295 67 R 3.6331 8.2128 114.1580 59.8340 30.0163 178.5379 68 Q 4.0244 8.1416 116.3387 59.4563 29.1299 180.3746 69 V 3.7324 7.8104 119.4779 64.7353 31.2831 178.5004 70 G 3.6723 8.2353 106.5379 47.9774 0.0000 175.0880 71 R 3.8862 8.1135 120.2340 59.3099 30.0262 178.4604 72 A 3.9950 8.5578 119.9300 55.4316 18.6209 179.3105 73 L 3.8702 8.4415 118.6464 58.3261 42.0110 178.8904 74 A 4.0097 8.2865 120.8806 55.5259 18.4267 178.7906 75 E 3.9256 8.2773 117.6013 59.4899 29.5232 179.0098 76 K 3.9561 8.4540 118.9552 57.0670 32.2894 178.0425 77 A 3.9833 8.9182 121.1712 53.4465 17.4203 181.9888 78 L 3.4155 5.9355 121.9398 59.0230 43.1943 177.5027 79 A 4.2506 7.5344 117.8154 53.2093 18.1988 177.7400 80 L 4.5312 10.2143 116.9367 53.6287 43.0376 177.7922 81 G 4.5290 7.3303 114.7243 45.4120 0.0000 172.2110 82 I 3.6127 6.1156 113.2797 58.4756 40.1933 174.8479 83 K 4.3470 8.0695 122.4577 56.4126 37.1057 174.3683 84 Q 4.8420 8.1413 119.0847 54.2436 32.9872 171.7217 85 V 4.5604 8.3927 117.2816 60.6130 34.7951 177.5909 86 A 5.0038 8.8197 135.0000 52.6693 21.6135 178.2464 87 F 4.6816 8.6726 127.5790 59.6530 41.3850 172.7174 88 D 4.2940 9.2354 124.2335 54.1273 43.2920 177.4047 89 R 4.1074 7.0227 125.1609 54.5887 31.0145 174.5035 90 G 3.7229 9.1601 110.9675 49.3843 0.0000 172.4654 91 P 4.9301 0.0000 0.0000 64.7743 32.1249 179.5559 92 Y 4.2721 9.3423 119.2692 61.0776 38.3069 177.9113 93 K 2.8396 5.6600 118.9277 58.2771 30.8272 176.8515 94 Y 3.8576 6.3666 115.5308 58.0421 35.3353 172.7020 95 H 4.2256 7.7942 122.4104 54.7565 33.3621 177.3680 96 G 3.0480 7.1069 107.7244 45.1937 0.0000 175.5035 97 R 3.8264 8.2065 125.8981 57.8905 30.1880 177.6293 98 V 3.3091 7.1619 117.4814 61.6069 31.5427 177.0945 99 K 4.2972 8.5017 123.9940 55.3644 31.0473 176.5813 100 A 4.3994 7.7995 129.9747 50.3582 17.4356 177.0296 101 L 4.7392 7.4079 121.1148 52.9911 43.8821 178.3375 102 A 4.5415 8.2778 125.0086 49.9173 19.4703 181.2867 103 E 3.2932 10.1810 117.1793 59.8973 30.6757 177.8554 104 G 3.9374 8.4789 112.7785 45.1638 0.0000 172.9159 105 A 4.5072 8.3557 129.8203 52.0044 18.7698 178.8723 106 R 4.0566 7.9573 117.8676 58.0388 30.3272 174.9697 107 E 3.9888 7.8703 119.3882 57.4597 30.9277 172.8349 108 G 3.8389 8.9740 113.8461 46.1645 0.0000 174.3327 *109 G 3.7078 7.9947 112.4167 45.6047 0.0000 172.3174 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 11 K 8.30 3.98 0.00 1.85 1.85 0.00 1.50 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.43 7.81 12 F 7.74 4.61 0.00 3.22 3.27 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 13 R 9.18 3.96 0.00 1.88 2.12 0.00 3.60 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 14 V 7.95 3.36 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 1.00 0.00 0.00 1.41 0.00 0.00 15 R 9.22 4.69 0.00 1.95 1.95 0.00 3.48 0.00 0.00 2.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.55 0.00 16 N 7.72 4.40 0.00 2.57 2.57 0.00 0.00 6.84 7.54 0.00 0.00 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 R 7.51 4.13 0.00 1.97 2.04 0.00 2.96 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 18 I 8.60 3.50 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 1.29 0.94 0.93 0.00 0.00 19 K 7.16 4.47 0.00 1.69 2.03 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.38 7.81 20 R 7.24 4.60 0.00 1.78 1.78 0.00 3.44 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 21 T 8.15 4.48 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 22 G 8.03 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 0.00 0.00 0.00 23 R 8.86 3.06 0.00 1.88 1.88 0.00 3.36 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 24 L 8.23 3.62 0.00 1.75 1.69 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.64 4.15 0.00 1.87 1.79 0.00 3.21 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 26 L 7.90 4.72 0.00 1.63 1.41 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.25 4.48 0.00 3.95 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 28 V 8.15 4.86 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 1.00 0.00 0.00 0.77 0.00 0.00 29 F 9.39 5.50 0.00 3.07 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 30 R 8.72 4.51 0.00 1.75 1.75 0.00 3.21 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 31 S 8.03 4.27 0.00 3.22 3.32 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 32 L 8.32 3.93 0.00 1.61 1.67 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.23 4.43 0.00 1.62 1.57 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.43 7.81 34 H 7.20 4.43 0.00 2.80 2.60 0.00 5.67 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 6.95 4.82 1.74 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 1.36 1.72 0.87 0.00 0.00 36 Y 7.58 4.76 0.00 3.18 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 37 A 8.70 4.89 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 38 Q 8.71 4.75 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 39 I 9.10 4.86 1.87 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 1.32 1.29 0.95 0.00 0.00 40 I 8.02 3.97 1.85 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 1.21 0.68 0.89 0.00 0.00 41 D 8.50 5.00 0.00 2.74 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 42 D 8.54 4.81 0.00 2.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.68 3.91 0.00 2.13 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 0.00 2.18 2.22 0.00 44 K 8.02 4.59 0.00 1.73 1.97 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.38 7.81 45 G 8.11 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 0.00 0.00 0.00 46 V 7.75 3.83 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 0.98 0.00 0.00 0.92 0.00 0.00 47 T 8.05 4.82 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 1.24 0.00 0.00 48 L 7.89 4.49 0.00 1.60 1.70 0.91 0.76 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 49 V 7.03 4.42 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 0.92 0.00 0.00 0.97 0.00 0.00 50 S 8.45 5.36 0.00 3.85 3.78 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 0.00 0.00 0.00 51 A 7.78 4.46 1.24 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 0.00 0.00 52 S 8.79 5.38 0.00 4.45 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 53 S 8.37 4.63 0.00 3.96 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 54 L 8.99 3.54 0.00 2.18 1.89 1.16 0.76 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 A 7.17 4.10 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 56 L 7.67 4.36 0.00 1.80 1.75 1.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.29 4.06 0.00 1.70 1.74 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 1.34 7.81 58 L 7.35 3.29 0.00 1.77 1.94 0.94 0.91 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 59 K 7.98 4.64 0.00 1.73 1.17 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.36 1.41 7.81 60 G 8.53 4.10 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 0.00 61 N 7.71 4.17 0.00 2.68 2.66 0.00 0.00 7.09 6.68 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 62 K 7.32 4.75 0.00 1.89 1.81 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.05 7.81 63 T 7.41 3.82 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 1.15 0.00 0.00 64 E 9.64 3.88 0.00 1.96 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 2.30 2.32 0.00 65 V 7.73 3.61 2.20 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 1.03 0.00 0.00 0.93 0.00 0.00 66 A 7.92 4.00 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 67 R 8.21 3.63 0.00 2.08 1.94 0.00 3.33 0.00 0.00 3.17 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 68 Q 8.14 4.02 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.75 0.00 69 V 7.81 3.73 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 1.03 0.00 0.00 0.98 0.00 0.00 70 G 8.24 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.11 3.89 0.00 2.15 1.99 0.00 3.22 0.00 0.00 3.18 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 72 A 8.56 4.00 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 73 L 8.44 3.87 0.00 1.89 1.84 0.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.29 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.28 3.93 0.00 2.06 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 0.00 2.32 2.37 0.00 76 K 8.45 3.96 0.00 1.74 1.90 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.68 7.81 77 A 8.92 3.98 1.27 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 0.00 0.00 78 L 5.94 3.42 0.00 1.76 1.96 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.53 4.25 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 80 L 10.21 4.53 0.00 1.82 1.70 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.33 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 6.12 3.61 1.88 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 1.31 1.05 0.96 0.00 0.00 83 K 8.07 4.35 0.00 1.80 1.76 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.40 7.81 84 Q 8.14 4.84 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.61 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 85 V 8.39 4.56 2.13 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 0.74 0.00 0.00 0.96 0.00 0.00 86 A 8.82 5.00 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 87 F 8.67 4.68 0.00 2.98 2.95 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 88 D 9.24 4.29 0.00 2.63 1.73 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 89 R 7.02 4.11 0.00 2.23 2.27 0.00 3.50 0.00 0.00 3.34 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 90 G 9.16 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.93 0.00 1.97 1.84 0.00 3.97 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.49 0.00 92 Y 9.34 4.27 0.00 3.34 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 5.66 2.84 0.00 1.61 1.69 0.00 1.39 0.00 0.00 1.45 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.18 1.31 7.81 94 Y 6.37 3.86 0.00 3.44 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 95 H 7.79 4.23 0.00 3.18 2.97 0.00 5.94 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.11 3.05 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 0.00 0.00 0.00 97 R 8.21 3.83 0.00 1.87 2.07 0.00 3.17 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.89 0.00 98 V 7.16 3.31 1.28 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 0.50 0.00 0.00 0.68 0.00 0.00 99 K 8.50 4.30 0.00 1.96 1.93 0.00 1.88 0.00 0.00 1.90 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.85 1.71 7.81 100 A 7.80 4.40 1.24 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 0.00 0.00 101 L 7.41 4.74 0.00 1.80 1.72 1.10 0.61 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 0.00 102 A 8.28 4.54 1.08 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 0.00 103 E 10.18 3.29 0.00 2.18 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 104 G 8.48 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 0.00 105 A 8.36 4.51 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 0.00 106 R 7.96 4.06 0.00 1.84 2.00 0.00 3.56 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 107 E 7.87 3.99 0.00 2.08 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 2.19 2.28 0.00 108 G 8.97 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 *109 G 7.99 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.