NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3568 8.3193 116.7875 56.7198 65.2206 174.6204 1 M 4.3315 7.6580 121.0030 52.2621 34.3145 174.2565 2 A 3.8836 8.6421 121.2899 52.7200 19.5819 178.1953 3 L 4.2043 8.3674 124.5807 53.6318 43.0699 175.0526 4 P 4.4016 0.0000 0.0000 61.9140 32.0309 175.6080 5 K 4.0657 8.4431 121.6968 58.2231 32.3546 176.5469 6 D 4.4294 8.9044 123.2319 54.7019 38.6991 173.8158 7 A 4.1797 7.7220 122.2239 51.6888 19.0205 177.7395 8 I 3.7242 8.0444 122.3684 59.8182 37.6426 174.5866 9 P 4.5522 0.0000 0.0000 61.8623 32.2285 176.4152 10 S 4.4015 8.3828 114.7524 57.9799 63.9450 174.3668 11 L 3.3552 8.7868 123.8691 58.6506 41.3263 179.5649 12 S 4.6679 7.8427 113.3994 60.8233 62.1394 175.7302 13 E 4.0127 7.9237 120.2373 58.7829 29.4450 177.3951 14 C 4.4945 8.1985 115.3699 59.8137 29.1351 173.2836 15 Q 4.6997 7.4979 120.0549 54.6497 29.6824 174.7586 16 C 4.5439 9.2516 122.7287 59.2374 31.9713 174.6781 17 G 3.9948 8.8518 115.1505 47.1833 0.0000 174.1864 18 I 4.0594 7.9549 120.4933 63.0762 37.6260 176.3691 19 C 4.5599 7.8536 111.8504 57.2114 30.5213 174.7643 20 M 3.2417 8.2588 118.4631 56.0099 30.4764 176.6647 21 E 4.3242 7.5763 118.4558 55.4059 31.1823 175.8920 22 I 3.9256 8.4259 121.2427 61.5499 38.5822 175.0160 23 L 4.0875 8.9297 131.7818 55.4259 42.6142 176.0809 24 V 3.7546 8.2677 125.9657 61.4141 34.1242 174.9905 25 E 2.5505 5.9000 126.1074 55.9097 26.9927 173.3907 26 P 4.3639 0.0000 0.0000 63.1435 33.3203 177.0132 27 V 4.6288 8.8327 123.4562 61.5794 33.5023 174.2074 28 T 4.9063 8.3984 124.8322 61.7410 69.9829 174.8839 29 L 3.1697 8.7564 127.5508 53.0968 42.3827 176.3199 30 P 4.2119 0.0000 0.0000 64.8707 31.5140 177.0002 31 C 4.1756 7.7209 112.2124 58.5082 29.5598 173.5466 32 N 4.2170 7.9588 116.3603 54.3996 36.3921 173.6788 33 H 4.5394 7.5199 115.5280 55.1409 30.0638 174.1422 34 T 5.2999 7.8854 118.8186 61.9072 71.5629 173.1058 35 L 4.9710 8.7454 123.8644 54.2760 44.6138 174.9879 36 C 4.5500 8.6473 114.4616 57.9047 30.8792 174.5582 37 K 3.9049 8.6999 121.3333 59.3614 31.7760 177.1222 38 P 4.4112 0.0000 0.0000 66.1651 31.2409 178.2441 39 C 4.1460 8.1168 114.6865 62.7514 27.9910 175.7637 40 F 4.1504 8.6401 122.5379 61.4354 38.9020 177.2737 41 Q 3.8693 8.4507 117.7834 59.0075 28.2974 178.9502 42 S 4.0794 7.8683 115.2937 61.1782 63.1355 175.9773 43 T 4.3160 8.2380 109.5361 62.0091 69.4700 174.3870 44 V 4.0422 7.0382 119.0014 64.4511 33.7378 176.8546 45 E 3.6662 8.0371 120.6948 58.5234 29.5554 177.8278 46 K 4.4602 8.0203 114.9730 56.0737 33.6470 176.3148 47 A 4.6448 7.0992 121.6562 52.6573 18.7702 177.2900 48 S 4.5972 8.9029 113.3195 59.7857 63.2526 173.6913 49 L 3.7083 7.8843 119.0445 56.8778 39.4050 173.9109 50 C 5.2249 7.6502 112.9127 57.4427 32.1752 174.0889 51 C 4.1716 8.9903 123.6836 59.0905 31.3874 172.9329 52 P 4.2744 0.0000 0.0000 64.3900 31.2935 177.0025 53 F 4.4595 7.9912 117.4736 59.0072 39.7945 175.9975 54 C 4.6947 7.5282 111.0733 56.7664 30.7622 175.0754 55 R 4.0538 8.4011 118.2579 56.5251 28.0789 176.1910 56 R 3.8640 7.3600 117.9611 56.4996 30.4088 175.9156 57 R 4.3527 8.4877 125.6391 56.6438 30.7880 176.2818 58 V 4.7049 8.8195 123.1067 60.8270 32.8809 177.7073 59 S 4.2052 8.4667 118.0070 62.4995 62.8844 176.1192 60 S 4.1989 8.1049 118.7770 60.8198 62.7151 176.0534 61 W 4.1826 8.4332 130.6258 61.0175 30.3960 178.0101 62 T 4.0794 8.7872 115.8534 66.7013 67.9879 176.9493 63 R 3.9435 8.2174 120.0214 59.3338 29.5919 178.2300 64 Y 3.9307 8.1508 119.4030 61.3287 38.7398 178.0733 65 H 4.2013 7.8894 116.2333 58.2279 28.8180 178.0243 66 T 3.8203 7.8552 118.1156 66.6674 68.0653 176.9620 67 R 3.9564 7.8471 118.8201 58.3295 30.0501 178.2939 68 R 4.2584 6.9942 114.1382 54.4104 31.1644 175.9177 69 N 4.1789 7.7352 115.8030 54.8268 36.6382 174.2393 70 S 4.7902 8.2982 105.9706 57.9823 64.0085 176.0193 71 L 3.8112 8.0784 123.1010 58.5529 41.7440 178.4118 72 V 3.7615 7.3981 117.7758 62.2797 32.2194 175.7707 73 N 4.6073 9.1585 126.0889 52.9916 38.5816 175.7405 74 V 3.8153 8.2529 128.4456 65.9092 31.9188 177.4470 75 E 4.0486 8.1850 118.0937 59.1820 29.3449 178.8341 76 L 4.0537 8.1392 120.1303 57.8654 42.1952 178.8260 77 W 4.6891 8.5346 128.4262 60.8217 30.6554 177.8307 78 T 3.6691 8.4142 116.1999 66.9338 67.9410 176.5046 79 I 3.7711 7.6644 120.8481 64.2986 37.0660 178.5806 80 I 3.8694 8.1214 120.7861 64.7813 36.8444 178.6514 81 Q 3.9359 7.5123 117.1690 58.3810 28.4134 178.4475 82 K 3.9124 7.7627 120.2958 59.4702 32.3468 177.9245 83 H 4.3957 7.8910 114.1763 56.1233 30.5523 174.9386 84 Y 4.9608 8.1772 118.3278 55.8812 38.5017 175.0371 85 P 4.2965 0.0000 0.0000 65.8967 31.8586 178.2865 86 R 3.9324 7.9587 118.1380 58.9998 30.2069 177.9717 87 E 4.0128 8.2850 118.0016 59.8282 29.5841 178.8707 88 C 4.2971 8.3089 116.5295 62.8608 28.1855 176.4735 89 K 4.0068 8.3204 119.9534 59.6240 31.4932 179.3303 90 L 4.0433 8.0684 118.1566 57.7478 41.7449 179.4754 91 R 4.0590 8.0809 118.1788 59.3722 29.9688 178.2382 92 A 4.2556 7.9019 119.0973 55.2886 18.3178 179.3098 93 S 4.3774 7.9579 112.6635 58.4528 63.1013 173.3970 94 G 3.7138 7.8957 113.4178 45.7965 0.0000 172.2881 *104 Y 4.3616 8.1355 124.8741 57.2739 39.5634 174.0307 105 Q 4.0910 8.0912 124.9986 53.4515 29.2064 174.2392 106 P 4.1457 0.0000 0.0000 64.1475 31.8484 177.0870 107 V 4.1869 6.7568 118.8705 60.8736 30.9740 173.9790 108 R 4.3657 7.8388 121.2413 54.1752 29.0710 175.6731 109 L 4.6933 8.0361 118.4516 53.5758 43.2901 175.8494 110 L 4.5299 7.6967 120.7780 52.8776 43.6969 175.8178 111 S 4.0509 8.8093 121.1410 59.7027 63.1475 173.7803 112 K 4.4273 8.4427 125.6161 56.9298 31.8389 174.2373 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 0 S 8.32 4.36 0.00 3.86 3.79 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 1 M 7.66 4.33 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 2 A 8.64 3.88 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 3 L 8.37 4.20 0.00 1.61 1.59 0.92 1.04 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 4 P 0.00 4.40 0.00 2.21 1.95 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 5 K 8.44 4.07 0.00 1.71 1.73 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.48 7.81 6 D 8.90 4.43 0.00 2.87 2.78 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 7 A 7.72 4.18 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 8 I 8.04 3.72 1.83 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 1.42 0.54 0.81 0.00 0.00 9 P 0.00 4.55 0.00 2.27 2.07 0.00 3.42 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 10 S 8.38 4.40 0.00 4.02 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 11 L 8.79 3.36 0.00 1.58 1.57 0.80 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.84 4.67 0.00 3.90 3.82 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 0.00 0.00 0.00 0.00 13 E 7.92 4.01 0.00 2.15 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 2.34 2.50 0.00 14 C 8.20 4.49 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.50 4.70 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.01 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 16 C 9.25 4.54 0.00 2.94 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 17 G 8.85 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 0.00 0.00 0.00 18 I 7.95 4.06 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.51 0.85 0.00 0.00 19 C 7.85 4.56 0.00 3.07 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 20 M 8.26 3.24 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 21 E 7.58 4.32 0.00 1.91 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 0.00 2.48 2.41 0.00 22 I 8.43 3.93 1.89 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 1.37 0.73 1.00 0.00 0.00 23 L 8.93 4.09 0.00 1.95 1.66 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.27 3.75 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 0.81 0.00 0.00 1.06 0.00 0.00 25 E 5.90 2.55 0.00 1.66 1.54 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 1.77 1.76 0.00 26 P 0.00 4.36 0.00 2.10 2.17 0.00 3.11 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 27 V 8.83 4.63 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 0.61 0.00 0.00 0.62 0.00 0.00 28 T 8.40 4.91 4.25 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 1.15 0.00 0.00 29 L 8.76 3.17 0.00 1.54 1.18 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.21 0.00 2.08 2.05 0.00 2.94 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 1.71 1.57 0.00 31 C 7.72 4.18 0.00 3.05 3.02 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 0.00 0.00 0.00 0.00 32 N 7.96 4.22 0.00 2.74 2.88 0.00 0.00 6.90 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 33 H 7.52 4.54 0.00 3.27 2.86 0.00 5.75 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.89 5.30 4.17 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 0.00 0.00 0.00 1.23 0.00 0.00 35 L 8.75 4.97 0.00 1.83 2.03 1.08 0.92 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 36 C 8.65 4.55 0.00 3.10 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 37 K 8.70 3.90 0.00 1.99 1.74 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.60 7.81 38 P 0.00 4.41 0.00 2.20 2.11 0.00 3.61 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 39 C 8.12 4.15 0.00 3.14 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 40 F 8.64 4.15 0.00 3.18 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 41 Q 8.45 3.87 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.67 2.72 0.00 42 S 7.87 4.08 0.00 3.83 3.87 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 43 T 8.24 4.32 4.13 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 1.14 0.00 0.00 44 V 7.04 4.04 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.95 0.00 0.00 45 E 8.04 3.67 0.00 1.21 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 2.26 2.24 0.00 46 K 8.02 4.46 0.00 1.93 1.76 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.48 7.81 47 A 7.10 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.90 4.60 0.00 3.95 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 49 L 7.88 3.71 0.00 1.90 1.80 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 50 C 7.65 5.22 0.00 2.87 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 51 C 8.99 4.17 0.00 2.92 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 52 P 0.00 4.27 0.00 1.60 1.91 0.00 3.57 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 53 F 7.99 4.46 0.00 2.68 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 54 C 7.53 4.69 0.00 3.08 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 55 R 8.40 4.05 0.00 2.00 2.11 0.00 3.46 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 56 R 7.36 3.86 0.00 1.93 1.82 0.00 3.13 0.00 0.00 3.06 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 57 R 8.49 4.35 0.00 1.82 1.84 0.00 3.26 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 58 V 8.82 4.70 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 1.00 0.00 0.00 0.73 0.00 0.00 59 S 8.47 4.21 0.00 4.13 4.21 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 60 S 8.10 4.20 0.00 3.98 4.02 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 0.00 0.00 0.00 0.00 61 W 8.43 4.18 0.00 3.46 3.46 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 0.00 0.00 0.00 62 T 8.79 4.08 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 1.48 0.00 0.00 63 R 8.22 3.94 0.00 1.92 2.00 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.98 0.00 64 Y 8.15 3.93 0.00 2.96 2.80 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 0.00 0.00 0.00 65 H 7.89 4.20 0.00 2.49 2.92 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.86 3.82 4.39 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 1.22 0.00 0.00 67 R 7.85 3.96 0.00 1.92 1.82 0.00 3.02 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 68 R 6.99 4.26 0.00 1.53 1.77 0.00 2.34 0.00 0.00 2.68 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.30 0.00 69 N 7.74 4.18 0.00 2.77 2.79 0.00 0.00 6.66 7.17 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 70 S 8.30 4.79 0.00 3.90 3.87 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 71 L 8.08 3.81 0.00 1.51 1.59 0.70 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.40 3.76 2.06 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 0.58 0.00 0.00 0.80 0.00 0.00 73 N 9.16 4.61 0.00 2.78 2.84 0.00 0.00 6.56 7.73 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 74 V 8.25 3.82 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 1.14 0.00 0.00 1.03 0.00 0.00 75 E 8.19 4.05 0.00 2.10 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 0.00 2.43 2.40 0.00 76 L 8.14 4.05 0.00 1.81 1.96 0.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 77 W 8.53 4.69 0.00 3.46 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 78 T 8.41 3.67 4.40 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 1.15 0.00 0.00 79 I 7.66 3.77 2.08 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 1.57 0.59 1.00 0.00 0.00 80 I 8.12 3.87 2.24 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.92 1.20 0.00 0.00 81 Q 7.51 3.94 0.00 1.60 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.96 0.00 0.00 0.00 0.00 0.00 1.51 1.16 0.00 82 K 7.76 3.91 0.00 1.72 1.83 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.00 1.28 7.81 83 H 7.89 4.40 0.00 3.01 2.79 0.00 5.65 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 8.18 4.96 0.00 3.03 3.03 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 85 P 0.00 4.30 0.00 2.23 2.36 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 86 R 7.96 3.93 0.00 1.93 2.02 0.00 3.21 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 87 E 8.29 4.01 0.00 2.43 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 2.39 2.51 0.00 88 C 8.31 4.30 0.00 3.14 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 89 K 8.32 4.01 0.00 2.02 1.89 0.00 1.84 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.55 7.81 90 L 8.07 4.04 0.00 1.78 1.77 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.08 4.06 0.00 1.98 1.99 0.00 3.14 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 92 A 7.90 4.26 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.96 4.38 0.00 4.06 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 94 G 7.90 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 *104 Y 8.14 4.36 0.00 2.92 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 0.00 105 Q 8.09 4.09 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 106 P 0.00 4.15 0.00 2.09 2.18 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.59 0.00 107 V 6.76 4.19 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 0.78 0.00 0.00 0.87 0.00 0.00 108 R 7.84 4.37 0.00 1.77 1.84 0.00 3.18 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 109 L 8.04 4.69 0.00 1.53 1.57 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.70 4.53 0.00 1.46 1.44 0.78 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.81 4.05 0.00 3.83 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 0.00 112 K 8.44 4.43 0.00 1.82 1.93 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.