NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5000 8.3049 120.3506 55.4653 33.4145 174.4514 2 K 4.2951 8.2944 122.2939 54.8579 36.1585 173.8177 3 T 4.3368 8.3302 118.3066 62.3917 72.1733 173.7598 4 Y 4.6714 8.1837 114.7222 58.0758 42.7060 175.8727 5 V 3.6281 7.9732 119.9882 62.9667 31.9211 172.9718 6 P 4.7832 0.0000 0.0000 60.7427 32.7027 175.8573 7 K 4.3507 8.3524 122.6586 55.1297 33.3329 176.4165 8 Q 4.0659 8.4850 118.4861 56.9078 28.8899 176.9814 9 V 4.4835 8.0026 120.6533 60.5058 34.8462 174.3867 10 E 4.0332 8.8542 127.0907 55.8677 29.9885 174.2372 11 P 4.7389 0.0000 0.0000 61.6245 32.7759 175.4602 12 R 4.2787 8.6179 124.3664 56.0411 31.2465 176.1660 13 W 5.1857 9.1045 126.5177 56.7103 30.8637 175.4583 14 V 4.5667 8.2364 117.9692 60.9929 34.1480 172.2572 15 L 5.3113 8.4438 124.0787 53.4721 45.7061 174.8424 16 I 4.8486 8.9764 126.0432 59.6623 41.5471 172.7966 17 D 5.2913 8.9559 129.4023 52.2720 42.0413 175.8325 18 A 4.7809 8.1430 130.9637 52.4835 19.9758 178.0560 19 E 4.1727 9.2429 123.6594 60.9685 29.9297 178.9303 20 G 3.6997 8.1021 106.0116 47.8871 0.0000 173.5182 21 K 4.4644 9.0657 119.5492 55.3996 34.8083 176.5388 22 T 5.2387 8.5227 118.7028 61.8168 69.3921 174.4238 23 L 3.9060 8.6258 127.7735 57.0356 40.3314 175.5188 24 G 4.0433 9.6525 115.5469 46.4852 0.0000 176.0968 25 R 3.8842 8.1416 119.6167 58.2465 30.2917 179.0419 26 L 3.8253 8.6534 120.1486 58.1643 42.2482 178.4512 27 A 3.9762 8.2020 120.2875 55.7811 18.0753 179.2743 28 T 3.8043 8.1486 114.0392 66.8782 68.5749 176.6187 29 K 3.8576 7.4623 120.2613 59.7081 32.1855 179.0877 30 I 3.5911 7.5693 119.3322 64.8438 37.0767 177.8757 31 A 3.9235 8.1533 121.0929 55.3103 18.0048 179.6829 32 T 3.7565 7.9070 113.5363 66.8168 68.8187 176.1404 33 L 3.8805 8.4826 120.9144 57.8017 41.0564 179.1925 34 L 3.9241 8.2813 119.4579 57.0148 41.8328 177.8246 35 R 4.2226 7.6667 115.4477 56.1921 30.2362 177.6749 36 G 4.2750 9.2856 106.2335 46.1560 0.0000 175.5675 37 K 2.9637 8.4420 124.7640 59.0866 32.1271 177.9921 38 H 4.2469 8.3585 112.9540 57.9173 28.6836 175.5551 39 R 4.0303 8.3538 122.1954 55.3359 30.2321 174.0165 40 P 4.7054 0.0000 0.0000 63.2431 31.8181 175.7159 41 D 4.9717 7.8483 118.4447 54.2538 41.4264 175.9329 42 W 4.8548 7.9060 127.4598 56.5572 32.7581 175.0137 43 T 3.9138 6.4832 114.9962 62.2216 71.6503 172.5957 44 P 3.6381 0.0000 0.0000 63.0047 32.2918 176.5240 45 N 4.4389 7.7603 116.6102 55.2058 37.9395 176.8056 46 V 3.4590 6.9846 117.9600 62.3247 32.3437 175.5851 47 A 3.4254 7.5822 120.8956 52.9371 14.9786 174.9621 48 M 4.7488 7.2349 119.2216 52.4613 34.4541 176.4323 49 G 4.2545 8.8649 104.0826 45.5781 0.0000 173.2067 50 D 4.7804 7.8687 118.6825 54.7115 41.8178 176.5907 51 F 3.8446 8.6829 120.5791 56.9258 40.0343 174.6643 52 V 4.1505 8.2002 124.8196 61.1548 33.3865 174.5531 53 V 5.2655 8.7852 128.9137 60.6067 33.4549 174.2452 54 V 5.2020 8.2566 128.6714 61.5254 33.0534 175.3640 55 V 4.3087 8.1114 127.4376 61.4418 34.2128 175.5558 56 N 4.1209 8.2837 114.9571 54.5354 35.6586 175.4241 57 A 4.2304 8.1556 129.2069 52.0032 18.8048 177.2104 58 D 3.8266 9.6558 111.6009 55.4563 40.2730 173.8269 59 K 3.9243 8.5392 114.3383 57.1917 29.8854 175.0281 60 I 4.1318 7.4053 119.4538 60.7928 37.6675 176.3511 61 R 4.3261 9.4900 127.9257 56.1880 31.2103 176.1367 62 V 4.4463 8.1248 121.6366 61.2472 34.0665 173.9179 63 T 3.9129 9.1214 114.5539 63.3975 69.0587 179.7817 64 G 4.0516 8.3855 113.2797 44.7842 0.0000 175.0103 65 K 4.3351 8.2834 115.5081 55.3284 30.8657 176.5580 66 K 4.2626 7.7158 118.4801 56.8378 32.9667 176.1989 67 L 4.1606 7.6796 120.0539 55.7803 40.0737 176.0927 68 E 3.8787 8.5948 121.7436 57.3387 26.8392 175.5975 69 Q 4.3195 7.7377 118.5958 56.4674 31.3706 175.7596 70 K 4.0074 7.8470 119.5112 56.1920 32.9242 175.7819 71 I 4.3624 8.0141 129.1006 59.7029 38.2241 176.5107 72 Y 4.3606 8.5883 128.6965 62.1244 36.0181 178.0438 73 T 3.4912 7.9370 116.3584 64.7357 70.0799 177.5966 74 R 3.3108 8.0591 116.3886 58.5661 30.3228 176.9054 75 Y 4.3635 10.6019 119.6593 56.6143 37.0606 174.9935 76 S 4.4766 8.4852 120.3666 56.8043 62.4373 173.8257 77 G 3.6712 8.4181 119.4444 45.8955 0.0000 174.1410 78 Y 5.8271 6.9422 132.8296 56.3532 36.8678 171.5520 79 P 4.7996 0.0000 0.0000 61.5919 33.4256 176.0635 80 G 5.0003 7.5690 118.2625 45.9184 0.0000 172.0928 81 G 4.0445 7.5617 110.4253 43.8644 0.0000 173.6585 82 L 4.2134 8.3395 124.6155 55.8466 41.1135 177.7185 83 K 3.8183 7.3255 113.7790 57.2949 29.4734 172.6449 84 K 4.6403 8.1907 128.5337 54.6472 34.3462 176.3087 85 I 4.5858 8.1597 124.3952 58.5425 40.5554 173.0388 86 P 4.6754 0.0000 0.0000 62.8351 31.9907 177.0736 87 L 4.1879 9.0985 124.2187 58.7461 41.9822 179.1523 88 E 4.0187 8.3057 117.8733 59.8987 29.3230 179.2755 89 K 3.8716 7.9819 117.8950 60.0104 32.1883 179.2300 90 M 3.8863 7.9738 119.3444 58.3658 31.7382 179.1102 91 L 3.9651 7.4575 118.0211 57.8358 42.0573 178.7903 92 A 4.2165 7.7727 119.2555 53.4831 18.1171 177.5035 93 T 4.1420 8.2974 113.2266 62.1078 69.1090 173.5467 94 H 4.8137 8.5892 116.9886 56.4592 26.6514 172.0538 95 P 5.1130 0.0000 0.0000 63.8621 32.2787 178.5707 96 E 4.0659 8.1872 117.4606 58.8213 29.7920 179.3782 97 R 3.8591 8.0520 119.3504 59.2475 30.2305 178.5109 98 V 3.4238 7.7382 117.7013 66.0914 31.4144 177.6687 99 L 3.9154 7.8239 119.0416 58.5523 42.1679 177.8955 100 E 3.8454 7.9063 118.2954 60.0286 29.2880 179.1539 101 H 4.0401 9.1273 116.3100 59.1993 28.7217 177.4944 102 A 4.0952 7.7107 120.3728 55.1754 18.5099 179.5466 103 V 3.6813 8.4553 117.1929 65.8953 31.6035 177.7366 104 K 4.0538 8.9093 120.3427 59.9666 32.0894 178.8279 105 G 3.9056 7.9275 102.4594 46.7011 0.0000 173.5367 106 M 4.6976 8.0667 116.7694 54.4776 33.3858 175.7795 107 L 4.4956 8.1296 120.0829 52.6994 43.1713 175.0798 108 P 4.4991 0.0000 0.0000 62.3933 31.8503 177.5904 109 K 4.0049 8.5487 118.7919 59.2825 33.0978 178.0777 110 G 3.9214 7.7281 106.5674 43.3121 0.0000 171.8358 111 P 4.3233 0.0000 0.0000 65.3335 31.1147 178.2446 112 L 3.9232 7.9095 120.3426 57.9755 42.1425 178.4310 113 G 4.4438 8.0209 106.5522 47.4283 0.0000 174.9811 114 R 3.8979 7.9723 120.6077 59.2525 29.9530 178.7900 115 R 3.9119 7.6469 116.6992 59.6807 30.1147 178.2688 116 L 3.9822 8.0779 118.6597 57.8101 41.8396 178.8759 117 F 3.7798 8.4997 120.8783 61.5590 38.8490 177.3917 118 K 4.1286 7.7649 116.7924 59.2760 32.1762 178.7959 119 R 3.8817 8.4050 117.2527 56.0453 29.7288 175.3793 120 L 4.5370 6.7624 122.2169 53.7493 43.0274 175.9656 121 K 4.2145 9.4201 129.1593 54.6441 33.7994 174.0348 122 V 4.7506 7.7001 126.4395 61.2857 33.3669 174.3749 123 Y 4.7496 9.0924 124.1647 56.0841 42.4620 175.0920 124 A 4.8708 8.3355 124.9544 51.6173 16.7739 178.5285 125 G 3.9539 8.1450 110.7081 44.4894 0.0000 169.7028 126 P 4.5619 0.0000 0.0000 62.2938 31.8149 172.5254 127 D 4.0915 8.7721 125.4842 54.7374 40.1676 172.7100 128 H 3.9260 7.5951 118.0438 55.1178 29.3744 173.3545 129 P 4.1353 0.0000 0.0000 63.6216 29.5394 175.2806 130 H 4.7976 8.5421 110.7916 56.1719 32.8504 174.2401 131 Q 3.8518 8.2996 122.7093 55.3664 29.7449 175.6544 132 A 4.1854 7.9517 126.8123 52.7683 20.1223 176.6521 133 Q 4.2166 7.2363 115.7083 53.9240 29.2199 172.8300 134 R 4.5612 8.5069 117.8567 53.7977 29.7347 175.6319 135 P 4.7666 0.0000 0.0000 60.1478 30.0921 172.6472 136 E 4.1071 8.4045 125.5827 57.8089 30.3819 175.3988 137 K 4.5735 9.7565 129.6094 54.7498 33.8682 175.3967 138 L 4.3502 8.5585 129.8530 53.9793 42.9454 177.0428 *139 E 4.1515 8.6999 118.6460 56.1565 30.3597 172.1974 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 M 8.30 4.50 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 2 K 8.29 4.30 0.00 1.78 1.24 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.43 7.81 3 T 8.33 4.34 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 1.26 0.00 0.00 4 Y 8.18 4.67 0.00 2.91 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 5 V 7.97 3.63 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 0.81 0.00 0.00 0.99 0.00 0.00 6 P 0.00 4.78 0.00 2.07 1.98 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.12 0.00 7 K 8.35 4.35 0.00 1.76 1.78 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.47 7.81 8 Q 8.48 4.07 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 9 V 8.00 4.48 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 0.83 0.00 0.00 0.99 0.00 0.00 10 E 8.85 4.03 0.00 1.98 1.90 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 2.32 2.41 0.00 11 P 0.00 4.74 0.00 2.77 2.38 0.00 3.93 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 12 R 8.62 4.28 0.00 2.02 1.96 0.00 3.24 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 13 W 9.10 5.19 0.00 3.19 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 14 V 8.24 4.57 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 0.76 0.00 0.00 1.08 0.00 0.00 15 L 8.44 5.31 0.00 1.74 1.55 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.98 4.85 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 1.12 1.29 0.96 0.00 0.00 17 D 8.96 5.29 0.00 2.75 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.14 4.78 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 19 E 9.24 4.17 0.00 1.91 2.31 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 2.34 2.33 0.00 20 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 21 K 9.07 4.46 0.00 1.83 1.74 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.56 7.81 22 T 8.52 5.24 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 1.26 0.00 0.00 23 L 8.63 3.91 0.00 1.68 1.75 1.03 0.61 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 24 G 9.65 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 25 R 8.14 3.88 0.00 1.98 1.99 0.00 3.29 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 26 L 8.65 3.83 0.00 1.70 1.80 0.92 1.27 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 27 A 8.20 3.98 1.39 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 0.00 0.00 28 T 8.15 3.80 4.48 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 1.19 0.00 0.00 29 K 7.46 3.86 0.00 2.03 1.83 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.79 7.81 30 I 7.57 3.59 2.01 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 1.41 0.48 0.83 0.00 0.00 31 A 8.15 3.92 1.39 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 0.00 0.00 32 T 7.91 3.76 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 1.13 0.00 0.00 33 L 8.48 3.88 0.00 1.84 1.66 0.56 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.28 3.92 0.00 1.70 1.65 0.70 0.77 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 35 R 7.67 4.22 0.00 2.46 2.47 0.00 2.86 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 36 G 9.29 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.44 2.96 0.00 1.10 1.84 0.00 1.14 0.00 0.00 1.25 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.21 1.25 7.81 38 H 8.36 4.25 0.00 3.30 3.38 0.00 5.58 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.35 4.03 0.00 1.63 2.13 0.00 3.26 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 40 P 0.00 4.71 0.00 2.24 2.14 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 41 D 7.85 4.97 0.00 2.71 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 42 W 7.91 4.85 0.00 3.54 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 43 T 6.48 3.91 3.97 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 1.10 0.00 0.00 44 P 0.00 3.64 0.00 2.07 2.12 0.00 3.52 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.93 0.00 45 N 7.76 4.44 0.00 2.75 2.89 0.00 0.00 6.11 7.68 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 46 V 6.98 3.46 1.95 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 0.52 0.00 0.00 0.87 0.00 0.00 47 A 7.58 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 48 M 7.23 4.75 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 49 G 8.86 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 0.00 0.00 0.00 0.00 50 D 7.87 4.78 0.00 2.59 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 51 F 8.68 3.84 0.00 1.51 1.45 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 0.00 52 V 8.20 4.15 1.93 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 0.85 0.00 0.00 0.82 0.00 0.00 53 V 8.79 5.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 1.24 0.00 0.00 54 V 8.26 5.20 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 1.14 0.00 0.00 0.90 0.00 0.00 55 V 8.11 4.31 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 0.92 0.00 0.00 1.04 0.00 0.00 56 N 8.28 4.12 0.00 2.86 3.08 0.00 0.00 6.79 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.16 4.23 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 58 D 9.66 3.83 0.00 2.92 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 59 K 8.54 3.92 0.00 1.91 1.92 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.45 7.81 60 I 7.41 4.13 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.49 0.99 0.00 0.00 61 R 9.49 4.33 0.00 1.72 1.85 0.00 3.24 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 62 V 8.12 4.45 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 0.78 0.00 0.00 0.95 0.00 0.00 63 T 9.12 3.91 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 1.21 0.00 0.00 64 G 8.39 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 65 K 8.28 4.34 0.00 1.74 1.77 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.38 7.81 66 K 7.72 4.26 0.00 1.79 1.86 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.40 7.81 67 L 7.68 4.16 0.00 1.63 1.68 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.59 3.88 0.00 2.13 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 0.00 2.20 2.48 0.00 69 Q 7.74 4.32 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 70 K 7.85 4.01 0.00 1.79 1.62 0.00 1.18 0.00 0.00 1.62 0.00 0.00 2.38 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.31 0.89 7.81 71 I 8.01 4.36 1.79 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 1.47 0.93 0.91 0.00 0.00 72 Y 8.59 4.36 0.00 3.00 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 73 T 7.94 3.49 4.28 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 0.00 0.00 0.00 1.26 0.00 0.00 74 R 8.06 3.31 0.00 2.56 2.10 0.00 3.38 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 75 Y 10.60 4.36 0.00 2.82 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 76 S 8.49 4.48 0.00 3.87 3.81 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 77 G 8.42 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 78 Y 6.94 5.83 0.00 3.06 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 79 P 0.00 4.80 0.00 2.34 2.65 0.00 4.14 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 80 G 7.57 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.56 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 82 L 8.34 4.21 0.00 1.77 1.81 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.33 3.82 0.00 1.82 2.21 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.54 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.19 1.38 7.81 84 K 8.19 4.64 0.00 1.65 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.44 7.81 85 I 8.16 4.59 1.90 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.46 0.88 0.00 0.00 86 P 0.00 4.68 0.00 2.12 2.18 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 87 L 9.10 4.19 0.00 1.85 1.90 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.31 4.02 0.00 2.06 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 2.43 2.55 0.00 89 K 7.98 3.87 0.00 1.93 1.85 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.63 7.81 90 M 7.97 3.89 0.00 1.98 2.36 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 91 L 7.46 3.97 0.00 1.80 1.74 0.96 0.81 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 92 A 7.77 4.22 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 93 T 8.30 4.14 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 1.24 0.00 0.00 94 H 8.59 4.81 0.00 3.38 3.67 0.00 5.20 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 5.11 0.00 2.26 2.41 0.00 3.90 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 96 E 8.19 4.07 0.00 2.05 2.24 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 2.34 2.24 0.00 97 R 8.05 3.86 0.00 1.78 1.87 0.00 3.14 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 98 V 7.74 3.42 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 1.18 0.00 0.00 0.99 0.00 0.00 99 L 7.82 3.92 0.00 1.71 1.60 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.91 3.85 0.00 2.15 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 0.00 2.15 2.55 0.00 101 H 9.13 4.04 0.00 3.14 3.38 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.71 4.10 1.45 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 0.00 0.00 0.00 103 V 8.46 3.68 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 0.93 0.00 0.00 0.97 0.00 0.00 104 K 8.91 4.05 0.00 1.94 2.25 0.00 1.47 0.00 0.00 1.47 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.38 7.81 105 G 7.93 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 0.00 106 M 8.07 4.70 0.00 1.99 2.07 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 2.75 2.52 0.00 107 L 8.13 4.50 0.00 1.84 1.64 1.06 1.04 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 0.00 108 P 0.00 4.50 0.00 2.23 2.22 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 109 K 8.55 4.00 0.00 1.87 1.98 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.43 7.81 110 G 7.73 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 0.00 0.00 0.00 111 P 0.00 4.32 0.00 2.25 2.30 0.00 3.68 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 2.05 2.00 0.00 112 L 7.91 3.92 0.00 1.73 1.66 0.87 0.94 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 0.00 113 G 8.02 4.44 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 0.00 114 R 7.97 3.90 0.00 2.02 1.99 0.00 3.12 0.00 0.00 3.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 115 R 7.65 3.91 0.00 1.92 2.15 0.00 3.25 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 116 L 8.08 3.98 0.00 1.90 1.64 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.50 3.78 0.00 3.11 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 0.00 118 K 7.76 4.13 0.00 1.92 1.91 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.78 7.81 119 R 8.40 3.88 0.00 1.52 1.09 0.00 2.21 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.35 0.00 120 L 6.76 4.54 0.00 1.30 1.16 0.68 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 121 K 9.42 4.21 0.00 1.86 1.84 0.00 1.45 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.64 1.65 7.81 122 V 7.70 4.75 1.86 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 0.82 0.00 0.00 0.81 0.00 0.00 123 Y 9.09 4.75 0.00 2.93 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 0.00 124 A 8.34 4.87 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 0.00 125 G 8.15 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 0.00 126 P 0.00 4.56 0.00 2.18 2.10 0.00 3.93 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 127 D 8.77 4.09 0.00 2.77 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 0.00 128 H 7.60 3.93 0.00 2.72 3.13 0.00 5.48 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.14 0.00 2.16 2.00 0.00 3.63 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 130 H 8.54 4.80 0.00 3.31 3.50 0.00 5.55 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.30 3.85 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.13 0.00 132 A 7.95 4.19 1.04 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 0.00 133 Q 7.24 4.22 0.00 1.83 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 134 R 8.51 4.56 0.00 2.05 2.15 0.00 2.74 0.00 0.00 2.25 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 135 P 0.00 4.77 0.00 2.13 2.17 0.00 3.65 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.21 0.00 136 E 8.40 4.11 0.00 2.03 1.97 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 2.33 2.37 0.00 137 K 9.76 4.57 0.00 1.81 1.79 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.45 7.81 138 L 8.56 4.35 0.00 1.68 1.59 0.93 0.97 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 *139 E 8.70 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.