NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *19 W 4.7268 8.1333 121.3337 55.9295 31.0727 177.0513 20 K 3.7463 8.1584 116.5791 59.0981 31.5134 177.0661 21 D 4.3655 8.8480 119.2913 57.5259 41.7609 178.1103 22 K 4.4756 7.9933 119.8362 58.7340 32.0917 178.8019 23 E 3.9782 9.0171 120.2765 59.3197 29.5068 178.7472 24 F 4.2442 8.6719 120.9430 61.4484 39.3638 177.0950 25 Q 3.9449 8.3922 117.7426 58.8647 28.4675 179.0280 26 V 3.5866 8.2941 119.6025 66.0976 31.5685 178.0976 27 L 4.0208 8.0763 118.7732 57.5746 41.3388 179.3366 28 F 3.3130 8.2909 120.9899 60.9916 39.2703 177.2023 29 V 3.2899 7.9158 118.0219 66.0669 31.3217 177.8858 30 L 3.8715 8.1112 118.9150 58.0759 41.3175 179.7835 31 T 3.6474 7.6896 115.7076 66.5135 68.2908 176.9011 32 I 3.3969 7.1939 121.8030 64.2464 36.9616 178.5060 33 L 3.9915 7.8798 119.9140 58.0755 41.4212 179.7861 34 T 3.9687 7.8544 115.7396 66.6010 68.2747 176.8633 35 L 4.2071 8.1575 121.2999 57.6548 41.5371 179.5618 36 I 3.6981 8.3883 120.2625 64.3886 37.1257 178.2252 37 S 4.2175 8.5384 114.5027 61.5667 62.1849 176.5955 38 G 3.6384 8.1092 109.5412 47.3060 0.0000 175.9550 39 T 4.0561 8.3677 118.3581 66.7194 68.6645 176.8758 40 I 3.6840 8.1501 122.0644 64.0567 36.9987 178.4231 41 F 3.5700 7.7064 121.1378 61.3108 39.0412 177.0707 42 Y 4.1946 7.9146 116.5380 60.7204 37.6696 178.2388 43 S 4.9181 8.4109 117.0176 60.6546 62.6889 176.0677 44 T 3.9627 7.2252 112.0735 63.8629 68.9895 177.2841 45 V 3.4220 7.1042 122.0277 64.2124 31.5664 176.6013 46 E 4.3819 7.8809 115.9840 55.1111 30.7819 175.3714 47 G 4.0813 7.2342 105.8681 46.4358 0.0000 173.2847 48 L 4.6296 7.2028 117.5616 52.3376 44.9021 177.2872 49 R 4.2292 8.1327 119.9814 55.4493 31.8541 175.9907 50 P 4.2246 0.0000 0.0000 66.1264 31.3299 178.6404 51 I 3.7621 7.7730 116.4829 64.2952 37.8141 177.5160 52 D 4.3322 7.9386 119.0689 57.2006 40.7529 178.4019 53 A 4.1014 8.4703 121.8680 54.9191 18.2799 179.5371 54 L 4.1386 8.4710 120.6871 57.9758 42.2295 178.3512 55 Y 3.9928 8.3460 119.7969 60.8803 38.6913 178.0388 56 F 4.2302 8.8518 121.8023 61.3243 39.4512 177.2663 57 S 4.3139 8.2460 114.8737 61.5888 62.7260 176.8225 58 V 3.4681 7.9794 121.0692 66.2447 31.3531 178.6261 59 V 3.6088 7.4339 113.1702 63.6053 31.3406 178.9391 60 T 3.6575 7.4387 115.8939 66.5279 68.1516 176.8675 61 L 4.0158 7.7332 119.0927 56.7200 41.4884 178.4564 62 T 4.0786 7.6136 108.4390 60.9389 69.0069 175.9224 63 T 3.5698 7.5378 110.4284 62.2463 68.2894 172.9695 64 V 3.5421 7.2550 122.8184 65.0114 31.6109 177.6563 65 G 4.0438 8.3026 102.6832 45.5765 0.0000 171.8170 66 D 5.0196 8.3862 118.2355 52.1932 42.8503 176.7941 67 G 4.0979 8.9379 114.3033 46.6464 0.0000 173.2549 68 N 4.8831 8.2147 114.4891 53.0865 41.3431 174.4898 69 F 4.9265 7.9853 117.4718 56.3486 41.4402 174.7459 70 S 4.2976 6.7887 121.1884 55.6305 66.7672 172.2160 71 P 4.0327 0.0000 0.0000 63.5154 31.5569 176.3267 72 Q 4.2847 8.8830 121.2156 57.3945 30.1026 177.1265 73 T 4.4776 7.9566 108.2931 60.9864 71.6558 175.6792 74 D 4.5271 8.6359 122.0647 57.1321 40.9633 178.9458 75 F 4.7354 8.4179 121.4370 61.4559 39.5226 177.3371 76 G 3.9794 8.5545 105.3891 47.6830 0.0000 175.9538 77 K 4.1475 8.1278 120.4958 59.5282 32.1813 179.5037 78 I 3.8179 7.8773 119.9445 64.2515 37.0070 178.3358 79 F 3.8016 8.2784 121.4688 61.4150 39.0545 177.2065 80 T 4.0465 8.2891 115.5230 66.8378 68.3473 176.3970 81 I 3.7682 7.8295 121.5020 64.6893 37.2091 178.5655 82 L 4.1024 7.7440 119.1307 57.7401 41.1614 178.8929 83 Y 3.9384 8.2077 119.8897 60.5394 38.5756 178.1642 84 I 3.5150 8.0428 121.0062 64.5234 37.0405 178.4840 85 F 4.0645 7.6672 116.5597 60.5805 38.7991 177.4574 86 I 4.0969 7.9693 118.5554 63.1638 37.2743 177.6473 87 G 3.6806 8.0326 105.7607 45.7232 0.0000 175.9525 88 I 3.9999 7.8184 122.6268 64.2776 37.0913 178.4517 89 G 3.6861 8.0680 106.0212 47.7595 0.0000 175.2526 90 L 3.9572 7.8108 122.7262 57.8166 42.1910 178.9957 91 V 3.5526 7.9087 118.3199 66.1169 31.3626 177.9689 92 F 4.0218 8.6655 117.6768 59.9325 38.7558 178.0854 93 G 3.6618 8.2330 105.9877 47.5789 0.0000 175.6989 94 F 4.3093 8.6876 123.4333 61.2374 39.3743 177.3344 95 I 3.4598 8.0074 119.6496 64.3920 36.7557 177.9109 96 H 4.1188 8.4835 119.1907 59.3817 29.6977 177.5887 97 K 3.9592 8.1529 120.2546 59.1554 31.7442 179.1783 98 L 3.6670 8.1348 120.9673 57.8532 41.8749 178.8183 99 A 4.1901 7.9650 122.2315 54.8864 18.1874 179.8729 100 V 3.4938 7.8045 115.5615 65.0690 31.7396 176.9660 101 N 4.7540 8.0680 113.3649 52.8181 39.4990 174.6262 102 V 3.9870 7.0446 118.0486 64.0987 33.6944 177.4491 103 Q 3.9056 8.3267 118.8910 58.6495 28.4566 178.3477 104 L 3.9155 7.9940 121.5400 57.8942 42.0737 177.3281 105 P 4.2296 0.0000 0.0000 65.4461 31.2113 178.6023 106 S 4.0138 7.8708 111.5547 61.3437 62.1126 176.2204 107 I 3.6601 7.9412 121.5163 64.3824 37.1606 178.0237 108 L 4.1310 8.2429 120.3726 57.8998 41.6447 179.7638 109 S 4.1396 8.3069 114.3502 61.4656 62.6516 175.6043 110 N 4.6597 8.0998 117.2454 53.9523 38.6184 175.4996 111 L 4.4623 7.4416 119.3917 54.4942 42.8744 176.9366 112 V 3.7573 7.1773 119.0782 61.7440 31.9176 173.8051 113 P 4.5803 0.0000 0.0000 62.5479 32.3406 176.3614 114 R 4.1857 8.2149 118.2958 56.6262 31.0710 175.0935 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 8.16 3.75 0.00 1.88 1.92 0.00 1.63 0.00 0.00 1.99 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.57 7.81 21 D 8.85 4.37 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 7.99 4.48 0.00 1.95 1.88 0.00 2.06 0.00 0.00 2.05 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.32 7.81 23 E 9.02 3.98 0.00 2.09 2.25 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 2.41 2.39 0.00 24 F 8.67 4.24 0.00 3.18 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 25 Q 8.39 3.94 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.75 0.00 26 V 8.29 3.59 2.28 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 1.07 0.00 0.00 1.03 0.00 0.00 27 L 8.08 4.02 0.00 2.04 1.92 1.05 0.90 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 28 F 8.29 3.31 0.00 2.61 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 29 V 7.92 3.29 2.18 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 0.99 0.00 0.00 1.06 0.00 0.00 30 L 8.11 3.87 0.00 1.74 1.62 0.90 0.60 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 31 T 7.69 3.65 3.49 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 0.00 0.00 0.00 0.81 0.00 0.00 32 I 7.19 3.40 1.41 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 -0.12 0.72 0.00 0.00 33 L 7.88 3.99 0.00 1.75 1.68 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.85 3.97 4.31 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 1.19 0.00 0.00 35 L 8.16 4.21 0.00 1.75 1.73 0.81 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.39 3.70 2.01 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 0.84 0.91 0.00 0.00 37 S 8.54 4.22 0.00 3.97 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 38 G 8.11 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.06 4.43 0.00 0.00 0.00 0.00 0.00 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 40 I 8.15 3.68 1.98 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 1.06 0.86 0.00 0.00 41 F 7.71 3.57 0.00 2.49 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 0.00 0.00 0.00 0.00 42 Y 7.91 4.19 0.00 3.22 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 43 S 8.41 4.92 0.00 4.12 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 44 T 7.23 3.96 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 1.16 0.00 0.00 45 V 7.10 3.42 0.81 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 0.65 0.00 0.00 0.21 0.00 0.00 46 E 7.88 4.38 0.00 2.25 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 0.00 2.33 2.72 0.00 47 G 7.23 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 48 L 7.20 4.63 0.00 1.55 1.36 0.29 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.13 4.23 0.00 1.79 1.81 0.00 3.14 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 50 P 0.00 4.22 0.00 2.15 2.14 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 51 I 7.77 3.76 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.89 0.00 0.00 52 D 7.94 4.33 0.00 2.83 2.54 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 0.00 0.00 0.00 0.00 53 A 8.47 4.10 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.14 0.00 1.80 1.97 0.96 0.67 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 55 Y 8.35 3.99 0.00 3.18 3.18 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 56 F 8.85 4.23 0.00 3.20 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 57 S 8.25 4.31 0.00 4.28 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 0.00 58 V 7.98 3.47 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 0.89 0.00 0.00 0.94 0.00 0.00 59 V 7.43 3.61 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 0.19 0.00 0.00 0.84 0.00 0.00 60 T 7.44 3.66 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 1.10 0.00 0.00 61 L 7.73 4.02 0.00 1.44 1.51 0.44 0.24 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 62 T 7.61 4.08 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 1.04 0.00 0.00 63 T 7.54 3.57 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 1.25 0.00 0.00 64 V 7.25 3.54 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 0.75 0.00 0.00 0.91 0.00 0.00 65 G 8.30 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.39 5.02 0.00 3.06 3.08 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 67 G 8.94 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 68 N 8.21 4.88 0.00 2.81 2.88 0.00 0.00 6.69 7.33 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 69 F 7.99 4.93 0.00 2.93 3.10 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 70 S 6.79 4.30 0.00 3.59 3.54 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 0.00 0.00 0.00 0.00 71 P 0.00 4.03 0.00 2.10 2.20 0.00 3.64 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 2.26 2.32 0.00 72 Q 8.88 4.28 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 73 T 7.96 4.48 4.37 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 1.30 0.00 0.00 74 D 8.64 4.53 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 4.74 0.00 3.05 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 76 G 8.55 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 4.15 0.00 2.11 1.95 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.78 7.81 78 I 7.88 3.82 2.21 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.38 1.02 0.00 0.00 79 F 8.28 3.80 0.00 2.34 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 80 T 8.29 4.05 4.57 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 1.45 0.00 0.00 81 I 7.83 3.77 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.23 1.09 0.00 0.00 82 L 7.74 4.10 0.00 1.63 1.63 0.92 0.90 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 83 Y 8.21 3.94 0.00 1.95 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.04 3.51 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.53 0.51 0.00 0.00 85 F 7.67 4.06 0.00 3.03 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 86 I 7.97 4.10 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 1.68 0.73 0.89 0.00 0.00 87 G 8.03 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 88 I 7.82 4.00 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.72 0.98 0.00 0.00 89 G 8.07 3.69 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 0.00 0.00 0.00 90 L 7.81 3.96 0.00 1.74 1.77 0.90 0.78 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 7.91 3.55 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 0.67 0.00 0.00 0.80 0.00 0.00 92 F 8.67 4.02 0.00 3.27 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 93 G 8.23 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 94 F 8.69 4.31 0.00 2.99 3.24 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 95 I 8.01 3.46 1.93 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.63 0.89 0.00 0.00 96 H 8.48 4.12 0.00 3.35 3.53 0.00 5.78 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 8.15 3.96 0.00 2.09 2.05 0.00 1.74 0.00 0.00 2.00 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.58 7.81 98 L 8.13 3.67 0.00 1.21 1.52 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.97 4.19 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 0.00 100 V 7.80 3.49 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 0.81 0.00 0.00 0.79 0.00 0.00 101 N 8.07 4.75 0.00 2.69 2.72 0.00 0.00 6.73 8.48 0.00 0.00 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 7.04 3.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 -0.19 0.00 0.00 103 Q 8.33 3.91 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 104 L 7.99 3.92 0.00 1.78 1.76 0.89 1.27 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 0.00 105 P 0.00 4.23 0.00 2.11 2.02 0.00 3.64 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 2.10 2.08 0.00 106 S 7.87 4.01 0.00 3.93 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 0.00 107 I 7.94 3.66 2.03 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 1.49 0.76 0.89 0.00 0.00 108 L 8.24 4.13 0.00 1.78 1.70 0.89 0.69 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 0.00 109 S 8.31 4.14 0.00 4.01 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 0.00 110 N 8.10 4.66 0.00 2.88 2.89 0.00 0.00 6.96 7.37 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 0.00 111 L 7.44 4.46 0.00 1.77 1.68 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.18 3.76 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 0.76 0.00 0.00 1.00 0.00 0.00 113 P 0.00 4.58 0.00 2.21 2.02 0.00 3.75 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 1.97 1.97 0.00 114 R 8.21 4.19 0.00 1.75 1.79 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 1.75 0.00 * Residues marked with a * may have inaccurate shift predictions.