NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6826 8.1927 115.3883 57.6941 64.5028 174.2127 2 L 4.0644 8.3192 122.2583 57.1217 41.5994 177.6032 3 W 4.1965 9.1527 129.5021 60.6238 31.1561 177.3892 4 Q 4.1186 7.9643 116.7446 58.9393 28.2216 178.4828 5 F 4.6363 8.4231 121.4678 61.2191 39.3819 177.5160 6 G 3.4084 8.0129 105.1921 47.8013 0.0000 175.9855 7 K 3.9773 7.6904 121.0884 59.0966 32.0629 179.2271 8 M 4.1701 8.1137 118.7239 58.5421 32.0893 178.3741 9 I 3.6664 7.5801 119.7516 64.4985 37.0479 178.2011 10 N 4.4908 7.7629 115.6991 56.2465 38.3600 176.6474 11 Y 4.1937 7.6396 120.3155 60.6737 39.0221 178.0296 12 V 3.5772 7.5308 117.1864 66.0289 31.9995 177.2987 13 M 4.2250 8.1901 117.0519 55.6569 32.5560 176.0036 *15 G 4.1713 7.6388 109.2911 45.4106 0.0000 173.7162 *16 E 3.9715 8.7843 114.5671 58.5753 29.4497 175.3879 17 S 4.7843 7.9669 111.1327 58.3303 63.8961 176.1684 18 G 3.7037 8.1012 109.8884 48.5515 0.0000 176.3628 19 V 3.6007 7.7458 120.8031 65.5993 31.3766 177.7073 20 L 4.1728 7.9340 118.2651 58.1224 42.0432 178.3416 21 Q 4.2106 7.8051 117.3038 58.0662 28.8967 176.9070 22 Y 4.3604 7.6464 114.7979 58.0850 39.0822 176.6282 23 L 4.2785 7.5577 118.4786 55.6842 42.3088 177.1459 24 S 4.4035 7.4820 113.0577 56.6676 63.0765 171.0458 25 Y 4.9362 8.9943 125.9657 57.0965 42.6054 175.5271 26 G 3.6928 7.8606 115.1184 46.7603 0.0000 173.0458 27 C 4.5375 9.0413 115.9070 58.2061 40.9189 174.0592 28 Y 4.3639 8.4920 114.8142 58.1638 39.6341 175.8895 29 C 4.7684 8.3546 119.1188 54.3577 38.9161 173.7095 30 G 4.1701 7.5956 109.9095 45.4873 0.0000 168.9397 31 L 4.3541 8.1725 119.4633 54.8868 43.0571 176.3658 32 G 3.7519 8.6348 110.7294 46.2178 0.0000 173.3453 33 G 3.5445 7.7425 108.7416 45.2928 0.0000 170.9847 34 Q 4.4992 7.6141 118.1225 55.7616 31.4867 175.7091 35 G 3.9046 8.6337 105.0371 45.0201 0.0000 171.9413 36 Q 4.7009 8.3039 119.2038 53.1553 30.8560 173.7863 37 P 4.6169 0.0000 0.0000 63.0963 32.0047 176.7540 38 T 3.8280 8.6307 112.9125 64.2309 69.4799 173.6779 39 D 4.4573 7.1829 118.8277 51.3170 41.5874 174.7780 40 A 4.0009 8.8158 119.4215 56.1531 18.4591 179.9949 41 T 3.9721 7.9622 113.7940 66.9880 68.4771 176.1980 42 D 4.5882 8.4192 119.4412 57.3944 41.2211 178.2783 43 R 3.9983 8.0423 118.8869 59.3836 29.7796 177.8122 44 C 4.3669 8.1439 116.6589 60.2488 34.3144 175.4294 45 C 4.3602 8.1631 117.3924 59.6433 33.9566 175.8935 46 F 3.8829 8.1032 122.2485 61.2985 38.9930 177.2610 47 V 3.3985 7.8431 117.8602 66.3172 31.2566 177.4438 48 H 3.8969 7.8748 117.7493 58.9943 29.2514 176.8454 49 D 4.1362 7.7625 119.4938 57.5085 40.8747 177.6507 50 C 4.2330 7.4083 115.4029 59.8285 40.1311 174.9723 51 C 4.2860 7.7056 119.5549 59.9045 37.8500 174.9891 52 Y 4.3512 7.8135 118.0325 60.8791 36.8919 178.4187 53 G 3.6281 7.8231 104.7843 46.9434 0.0000 175.0737 *57 K 4.3115 7.7659 117.8396 55.6971 33.9914 175.6783 58 V 3.9006 7.5074 119.9470 62.3732 31.3510 175.5060 59 T 4.4796 8.5572 116.5420 61.5638 69.8034 174.8212 60 G 4.1478 7.9332 109.4671 44.9420 0.0000 170.6229 61 C 4.5268 7.5960 113.4196 53.9321 40.1723 172.2841 *67 D 4.6240 8.3050 117.4332 53.4217 40.9239 174.0287 68 P 3.9877 0.0000 0.0000 65.1884 31.8281 178.0532 69 K 4.1446 8.4455 119.9389 58.4986 32.2152 178.1499 70 I 4.3485 7.6513 108.8924 60.8358 39.3339 175.2590 71 D 4.5836 7.7482 121.5986 53.7217 41.3899 176.0954 72 S 4.4840 8.4841 120.1045 57.9720 63.8739 173.2314 73 Y 4.9569 7.8110 122.8583 55.4250 40.5671 174.2024 74 T 4.9722 8.6108 115.3862 62.2694 71.3704 173.1964 75 Y 5.4837 8.5758 123.2771 56.4850 41.7879 173.8620 76 S 4.4122 8.5203 112.4116 57.8654 66.3974 173.1376 77 K 5.0843 8.4390 117.6913 54.9727 35.4040 175.9091 78 K 4.4131 8.7597 123.0119 56.3098 34.9746 175.7294 79 N 3.9627 10.0941 123.2636 54.2990 36.0867 175.3827 80 G 4.0803 8.7187 105.3450 45.4024 0.0000 173.7462 81 D 5.0781 7.8431 119.6478 52.1531 43.1990 175.7332 82 V 4.3759 8.2671 122.1920 62.9949 32.7474 175.3557 83 V 4.5186 8.6727 126.5702 61.3504 34.6921 173.3828 84 C 4.9728 8.9507 124.9333 55.9323 41.3124 173.4977 85 G 3.8684 8.7971 112.0820 47.6170 0.0000 172.8497 86 G 4.1528 9.2685 109.0097 45.8048 0.0000 172.4226 87 D 4.6956 8.3635 115.6183 52.6897 39.9131 175.4452 88 D 4.7028 7.7882 120.4537 52.3385 42.8187 174.3977 *90 P 4.3666 0.0000 0.0000 62.7609 33.4023 179.5079 91 C 4.2675 8.3597 117.3644 59.6616 37.7078 175.8407 92 K 4.0216 8.1390 119.6744 59.2930 31.7562 179.1355 93 K 3.9339 7.9329 120.0021 59.3219 31.7726 178.7014 94 Q 3.9094 7.8706 120.1655 59.1421 28.8248 178.2890 95 I 3.6970 7.3740 119.6025 64.3953 37.1122 177.5262 96 C 3.1534 7.6062 118.8755 59.4049 37.9216 175.5207 97 E 3.7823 7.9179 119.9883 59.4453 28.7135 178.6926 98 C 4.1873 7.8104 116.3458 60.1082 39.4336 175.9308 99 D 4.1512 7.6691 120.4321 57.1902 40.0071 178.7819 100 R 3.8473 7.7938 119.1948 59.5169 29.9705 178.7266 101 V 3.5028 7.5161 117.6242 65.8940 31.5674 177.8622 102 A 3.6533 7.5287 119.2328 55.1838 17.6133 179.7128 103 T 3.5520 7.3798 113.5997 66.8630 68.5226 176.9888 104 T 3.9258 7.5155 111.2973 64.7241 68.3277 176.0070 105 C 4.2433 7.7881 121.4750 59.3324 43.3910 175.5141 106 F 4.4174 7.4228 118.2367 60.7157 38.6836 177.3211 107 R 4.0367 7.6761 117.2142 59.5692 29.6751 178.3114 108 D 4.5646 8.0428 117.5430 56.3431 40.9825 177.4558 109 N 4.9468 7.6321 114.6340 52.7577 38.9508 176.2456 110 K 3.9963 7.7998 123.7433 59.6690 32.4087 178.6579 111 D 4.4001 8.2586 117.6642 56.8425 40.7992 177.0101 112 T 4.4949 7.5452 106.5057 61.0991 69.1083 174.0829 113 Y 4.0812 7.7343 124.1175 58.0694 39.5037 174.8379 114 D 4.8640 8.3034 125.6520 52.1677 43.7057 176.4952 115 I 3.9330 8.5095 127.2740 64.0253 37.4200 178.0932 116 K 3.8239 7.9259 120.8839 58.8913 32.1904 176.9093 117 Y 4.1156 7.2312 114.6442 57.4206 38.3160 174.9493 118 W 4.7080 7.7615 131.4112 58.0471 31.0348 175.6682 119 F 3.5813 8.3377 125.5077 58.3508 36.4164 175.2790 120 Y 4.3388 8.1401 120.2980 57.5510 38.6039 175.5356 121 G 3.6784 8.1610 115.1126 44.8674 0.0000 174.5960 122 A 4.0889 8.4333 124.7875 54.6268 18.3540 180.0003 123 K 3.9111 7.3343 112.1656 59.2144 32.1270 178.3287 *125 N 4.7798 7.8848 113.6540 52.8366 40.0862 174.9539 126 C 5.0638 7.8433 116.0039 56.9248 40.9960 174.3956 127 Q 4.3846 8.1262 115.5871 55.7444 28.6755 175.9040 128 E 4.2978 7.8034 120.2638 54.8389 30.5928 175.8307 129 K 4.2342 8.2767 121.4449 56.7508 33.2172 176.9125 130 S 4.7742 8.4172 118.1949 57.8258 63.6493 173.5517 131 E 4.2744 8.8085 125.8895 55.5070 29.9615 174.6003 132 P 4.7006 0.0000 0.0000 62.3626 32.9095 176.9807 133 C 4.4481 8.6465 117.2765 57.4775 41.1796 173.7694 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 1 S 8.19 4.68 0.00 4.06 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 0.00 2 L 8.32 4.06 0.00 1.94 1.88 1.23 0.95 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 3 W 9.15 4.20 0.00 3.45 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 4 Q 7.96 4.12 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 5 F 8.42 4.64 0.00 3.30 3.30 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 6 G 8.01 3.41 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 0.00 0.00 0.00 7 K 7.69 3.98 0.00 1.79 1.92 0.00 1.62 0.00 0.00 1.36 0.00 0.00 2.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.12 1.47 7.81 8 M 8.11 4.17 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 9 I 7.58 3.67 1.83 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.10 0.82 0.00 0.00 10 N 7.76 4.49 0.00 2.69 2.89 0.00 0.00 7.03 8.17 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 11 Y 7.64 4.19 0.00 2.92 3.20 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 12 V 7.53 3.58 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 0.86 0.00 0.00 1.12 0.00 0.00 13 M 8.19 4.22 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.54 0.00 *15 G 7.64 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 0.00 0.00 0.00 0.00 *16 E 8.78 3.97 0.00 2.00 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 2.24 1.90 0.00 17 S 7.97 4.78 0.00 3.96 4.06 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 18 G 8.10 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.75 3.60 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 1.02 0.00 0.00 0.85 0.00 0.00 20 L 7.93 4.17 0.00 1.79 1.83 1.20 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.81 4.21 0.00 1.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 1.83 2.22 0.00 22 Y 7.65 4.36 0.00 2.71 2.47 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 23 L 7.56 4.28 0.00 1.78 1.73 0.90 0.73 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 24 S 7.48 4.40 0.00 3.28 2.63 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 0.00 0.00 0.00 0.00 25 Y 8.99 4.94 0.00 2.96 2.62 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 26 G 7.86 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 27 C 9.04 4.54 0.00 3.04 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 28 Y 8.49 4.36 0.00 3.20 3.14 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 29 C 8.35 4.77 0.00 3.31 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 30 G 7.60 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 0.00 0.00 0.00 0.00 31 L 8.17 4.35 0.00 1.69 1.65 0.98 0.94 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 32 G 8.63 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 33 G 7.74 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 0.00 0.00 0.00 34 Q 7.61 4.50 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.14 2.41 0.00 35 G 8.63 3.90 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 0.00 0.00 0.00 36 Q 8.30 4.70 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.51 0.00 37 P 0.00 4.62 0.00 1.85 1.89 0.00 3.40 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.50 0.00 38 T 8.63 3.83 2.81 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 0.68 0.00 0.00 39 D 7.18 4.46 0.00 2.82 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 40 A 8.82 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.96 3.97 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 0.86 0.00 0.00 42 D 8.42 4.59 0.00 3.03 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 43 R 8.04 4.00 0.00 2.01 2.08 0.00 3.14 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 44 C 8.14 4.37 0.00 3.36 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 45 C 8.16 4.36 0.00 3.52 3.37 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 46 F 8.10 3.88 0.00 2.58 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 47 V 7.84 3.40 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 0.87 0.00 0.00 1.02 0.00 0.00 48 H 7.87 3.90 0.00 3.12 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.76 4.14 0.00 2.92 2.46 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 50 C 7.41 4.23 0.00 2.86 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 51 C 7.71 4.29 0.00 2.98 3.09 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 0.00 0.00 0.00 52 Y 7.81 4.35 0.00 3.08 2.81 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 53 G 7.82 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 K 7.77 4.31 0.00 1.89 1.90 0.00 1.75 0.00 0.00 1.18 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 58 V 7.51 3.90 2.16 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 0.72 0.00 0.00 0.90 0.00 0.00 59 T 8.56 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 60 G 7.93 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 0.00 0.00 0.00 61 C 7.60 4.53 0.00 3.24 3.14 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 *67 D 8.30 4.62 0.00 2.69 2.62 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 68 P 0.00 3.99 0.00 1.28 0.49 0.00 3.53 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 1.57 1.67 0.00 69 K 8.45 4.14 0.00 1.82 1.89 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.44 7.81 70 I 7.65 4.35 1.86 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 1.40 0.81 0.92 0.00 0.00 71 D 7.75 4.58 0.00 2.86 2.64 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 72 S 8.48 4.48 0.00 3.84 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 73 Y 7.81 4.96 0.00 3.04 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 74 T 8.61 4.97 4.34 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 1.28 0.00 0.00 75 Y 8.58 5.48 0.00 3.11 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 76 S 8.52 4.41 0.00 3.84 3.92 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 77 K 8.44 5.08 0.00 1.62 1.70 0.00 1.36 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.73 1.13 7.81 78 K 8.76 4.41 0.00 1.76 1.62 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.42 7.81 79 N 10.09 3.96 0.00 2.89 2.89 0.00 0.00 7.30 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 80 G 8.72 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 81 D 7.84 5.08 0.00 2.79 2.61 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 0.00 82 V 8.27 4.38 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 0.79 0.00 0.00 1.07 0.00 0.00 83 V 8.67 4.52 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 0.94 0.00 0.00 0.95 0.00 0.00 84 C 8.95 4.97 0.00 2.85 2.94 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 85 G 8.80 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 0.00 0.00 0.00 86 G 9.27 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 0.00 0.00 0.00 87 D 8.36 4.70 0.00 2.77 2.77 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 0.00 0.00 0.00 88 D 7.79 4.70 0.00 2.67 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 *90 P 0.00 4.37 0.00 2.24 2.11 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 91 C 8.36 4.27 0.00 3.02 3.17 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 0.00 92 K 8.14 4.02 0.00 1.89 1.95 0.00 1.89 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.52 7.81 93 K 7.93 3.93 0.00 1.77 1.78 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.41 7.81 94 Q 7.87 3.91 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 95 I 7.37 3.70 2.05 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 1.26 0.58 0.95 0.00 0.00 96 C 7.61 3.15 0.00 2.14 2.91 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 97 E 7.92 3.78 0.00 2.11 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 2.25 2.44 0.00 98 C 7.81 4.19 0.00 3.11 2.91 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 99 D 7.67 4.15 0.00 2.69 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 0.00 100 R 7.79 3.85 0.00 1.80 1.84 0.00 3.22 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 101 V 7.52 3.50 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 0.87 0.00 0.00 0.92 0.00 0.00 102 A 7.53 3.65 1.02 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 0.00 0.00 103 T 7.38 3.55 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 104 T 7.52 3.93 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 1.23 0.00 0.00 105 C 7.79 4.24 0.00 2.84 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 0.00 106 F 7.42 4.42 0.00 2.88 2.39 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 0.00 107 R 7.68 4.04 0.00 1.89 1.90 0.00 3.06 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 108 D 8.04 4.56 0.00 2.72 2.73 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 0.00 109 N 7.63 4.95 0.00 2.83 2.87 0.00 0.00 6.47 6.80 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 0.00 110 K 7.80 4.00 0.00 1.87 1.85 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.44 7.81 111 D 8.26 4.40 0.00 2.74 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 0.00 112 T 7.55 4.49 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 1.25 0.00 0.00 113 Y 7.73 4.08 0.00 2.86 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 0.00 114 D 8.30 4.86 0.00 2.64 2.42 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 0.00 115 I 8.51 3.93 1.92 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 1.23 0.58 1.13 0.00 0.00 116 K 7.93 3.82 0.00 1.51 1.36 0.00 1.51 0.00 0.00 0.92 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.10 1.24 7.81 117 Y 7.23 4.12 0.00 1.94 1.67 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 0.00 118 W 7.76 4.71 0.00 3.20 3.36 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 0.00 119 F 8.34 3.58 0.00 2.83 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 0.00 120 Y 8.14 4.34 0.00 2.94 2.81 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 0.00 121 G 8.16 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 0.00 122 A 8.43 4.09 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 0.00 123 K 7.33 3.91 0.00 1.73 1.81 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.35 7.81 *125 N 7.88 4.78 0.00 2.09 2.64 0.00 0.00 7.07 7.66 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 0.00 126 C 7.84 5.06 0.00 2.89 3.14 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 0.00 127 Q 8.13 4.38 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.06 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 128 E 7.80 4.30 0.00 2.01 1.84 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 2.39 2.30 0.00 129 K 8.28 4.23 0.00 1.91 1.82 0.00 1.54 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.54 7.81 130 S 8.42 4.77 0.00 3.89 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 0.00 131 E 8.81 4.27 0.00 1.98 1.56 0.00 0.00 0.00 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 2.26 0.00 132 P 0.00 4.70 0.00 2.17 2.08 0.00 3.86 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 133 C 8.65 4.45 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.