NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3300 8.2649 123.5832 51.6106 19.9662 176.3419 2 D 4.4103 8.3037 119.2881 51.3563 41.4427 174.3659 3 P 4.2920 0.0000 0.0000 62.5766 32.7277 175.9546 4 A 4.1656 8.5092 124.9936 52.2538 19.0210 176.6988 5 L 4.7190 8.1886 120.6915 52.8364 44.1066 176.4359 6 A 4.3533 8.2808 122.3544 52.2231 19.6388 176.7184 7 D 5.3811 8.6472 120.3067 53.7668 42.7602 176.4672 8 V 4.5625 8.8288 120.2402 60.1002 35.2035 174.1601 9 C 4.7505 8.8692 121.8353 56.7996 36.0896 174.4300 10 R 3.7481 8.7238 125.1617 59.7591 29.6740 178.6702 11 T 3.9880 7.6176 105.4650 63.4860 68.7611 174.8455 12 K 4.3291 7.6518 120.3341 56.1263 32.7721 176.8003 13 L 3.8310 7.3187 119.2758 53.3755 42.2779 175.7955 14 P 4.2741 0.0000 0.0000 62.8365 33.1242 177.7724 15 S 4.0940 8.6928 116.1343 62.0732 62.7335 177.0423 16 Q 4.2510 8.2588 121.9564 57.9888 28.5102 178.2238 17 A 4.0274 7.7939 121.6057 55.1182 18.4144 179.5053 18 Q 3.8891 7.8697 116.6503 59.1165 28.7658 178.7082 19 D 4.3540 8.2216 120.0474 57.6448 40.7617 178.8924 20 T 4.0539 7.8789 116.0169 66.7383 68.4666 176.6031 21 L 3.8947 7.9792 120.6103 57.7113 41.6216 179.4678 22 A 3.9898 8.0002 120.7508 55.0474 18.2602 179.6949 23 L 3.9026 8.0354 117.5241 57.9650 41.7180 179.7478 24 I 3.8284 8.2942 121.1452 63.8510 36.7928 178.4165 25 A 4.0618 7.7997 120.2103 54.5699 18.2732 179.1458 26 K 4.0292 7.6469 114.9441 56.3360 32.6672 176.2340 27 N 4.1407 8.5522 116.7833 54.5727 38.0174 175.2336 28 G 2.8527 7.9790 106.8365 43.8173 0.0000 172.2140 29 P 4.0662 0.0000 0.0000 63.0352 32.0509 175.0490 30 Y 4.9562 8.0311 118.1398 55.5796 39.9659 175.4607 31 P 4.1405 0.0000 0.0000 65.0379 32.1074 176.1926 32 Y 4.7981 7.9638 115.7368 55.8093 39.9240 176.6376 33 N 4.5095 8.8689 120.3530 56.2148 38.9567 176.3676 34 R 4.2505 8.0311 115.2789 56.4813 30.6600 175.7849 35 D 4.1740 7.6723 119.6523 55.6061 40.9262 176.8628 36 G 3.3647 7.7984 113.3570 44.6409 0.0000 173.8555 37 V 3.8703 7.0298 113.2015 60.8691 32.9827 175.8023 38 V 3.9273 8.2756 122.7479 63.1919 32.1765 174.9592 39 F 4.6984 8.8475 131.0932 56.8869 39.3916 175.6155 40 E 3.8687 8.4163 126.2373 56.9337 30.2524 176.1559 41 N 3.4862 6.0966 116.3299 54.2866 37.2603 176.1596 42 R 3.7918 7.5960 117.3505 59.3639 29.1485 178.3528 43 E 4.0382 7.9723 114.8924 56.6173 29.6749 177.2726 44 S 3.9107 7.6220 112.0090 59.2818 61.2378 172.4483 45 R 4.1165 7.4740 117.9007 57.0805 30.1510 176.6430 46 L 4.3009 7.1698 116.6860 51.3519 43.9842 174.3741 47 P 4.1820 0.0000 0.0000 62.9327 31.6822 176.4577 48 K 4.1049 8.5005 123.9362 56.3975 32.6454 175.8529 49 K 4.4095 8.2069 124.0327 54.2274 36.2468 175.6021 50 G 3.8130 8.0512 108.3568 45.3126 0.0000 172.6764 51 N 4.3177 8.4044 117.5132 54.4717 38.8396 176.0764 52 G 3.9403 8.9361 110.3974 45.8037 0.0000 173.6544 53 Y 3.9179 7.8860 122.4536 59.6677 39.1756 174.9742 54 Y 5.4728 7.8653 116.5430 56.6485 40.7990 174.7947 55 H 5.5899 9.4004 119.5991 53.9507 33.4191 172.2657 56 E 5.2944 8.7860 118.2170 54.8342 33.0442 174.8415 57 F 5.0421 8.8651 118.9049 56.0480 43.6826 174.2693 58 T 4.4719 9.3414 113.9973 61.5091 69.8349 174.0398 59 V 4.5850 8.1427 123.2825 60.8832 33.9173 175.6194 60 V 3.7847 8.7082 127.6239 63.0891 32.1233 174.6979 61 T 4.3609 8.4619 123.4988 60.3496 68.8210 172.8377 *62 P 4.2330 0.0000 0.0000 62.5645 32.7473 173.2379 *66 D 4.7096 8.2033 117.5131 53.0162 41.7465 175.1190 67 R 3.5052 8.4580 120.7185 58.2933 30.7964 177.8973 68 G 3.8008 7.7720 105.3633 45.6869 0.0000 172.6838 69 T 4.2418 8.1008 107.6217 61.4595 70.9544 174.3743 70 R 4.4319 7.6334 122.5637 55.6993 31.8347 175.5931 71 R 5.2102 8.6194 121.3502 54.6704 35.3264 174.0121 72 V 5.0944 8.9650 121.6967 61.2552 34.5599 174.3740 73 V 5.2030 9.1780 127.4575 61.3955 34.2359 174.3420 74 T 5.2482 9.3937 118.1070 60.2232 71.9191 173.6298 75 G 4.2844 8.9475 110.3129 44.1333 0.0000 174.6023 76 G 3.1111 5.4830 108.4555 47.1110 0.0000 174.2287 77 Y 4.5033 8.3376 116.6229 57.7105 38.2747 176.5524 78 G 3.9667 8.1518 107.7601 45.0297 0.0000 174.0948 79 E 4.2498 7.9329 117.6650 56.3403 31.2234 175.7797 80 Q 5.1007 8.2753 118.9472 54.5315 33.1898 173.7304 81 Y 5.3901 9.3403 119.9650 56.0191 42.4315 174.0808 82 W 5.4738 9.6223 132.7027 55.7991 33.8177 174.3757 83 S 4.3307 8.5861 121.3155 55.6555 64.2590 172.3737 84 P 3.7053 0.0000 0.0000 63.1812 31.7199 175.8907 85 D 4.4688 6.6611 119.5222 53.7024 39.8547 174.3406 86 H 3.2961 8.6075 114.3922 58.6260 28.6091 173.9689 87 Y 3.2229 7.5833 110.6690 58.7069 36.2093 171.3870 88 A 4.1344 7.7425 125.5632 54.7330 18.5563 178.7973 89 T 4.7904 8.0918 103.2630 59.8505 71.9859 172.9627 90 F 5.1595 8.6007 119.6720 55.8956 42.8507 174.4044 91 Q 5.0547 9.2118 120.0684 54.1469 32.6191 174.6923 92 E 4.4842 9.3961 123.3743 56.2881 30.9322 175.9367 93 I 4.5166 8.3059 125.8317 60.7758 38.4203 174.8769 94 D 4.8144 9.0845 128.4050 52.1433 41.7389 175.2807 95 P 4.4252 0.0000 0.0000 64.6872 31.8041 177.2922 96 R 4.2588 8.1612 117.3730 57.1966 30.8216 174.0330 97 C 4.4433 7.7499 118.5188 55.6128 42.7568 173.6948 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 A 8.26 4.33 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 2 D 8.30 4.41 0.00 2.78 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 3 P 0.00 4.29 0.00 2.20 2.08 0.00 3.77 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 2.00 1.98 0.00 4 A 8.51 4.17 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.19 4.72 0.00 1.78 1.74 1.07 0.95 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 6 A 8.28 4.35 1.31 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 0.00 0.00 0.00 7 D 8.65 5.38 0.00 2.61 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 8 V 8.83 4.56 2.17 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 1.10 0.00 0.00 0.91 0.00 0.00 9 C 8.87 4.75 0.00 2.98 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 10 R 8.72 3.75 0.00 1.89 2.01 0.00 3.29 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 11 T 7.62 3.99 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 1.24 0.00 0.00 12 K 7.65 4.33 0.00 1.72 1.85 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.51 7.81 13 L 7.32 3.83 0.00 1.51 1.05 0.67 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.27 0.00 2.05 1.97 0.00 2.81 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 15 S 8.69 4.09 0.00 4.02 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 0.00 16 Q 8.26 4.25 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.16 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 17 A 7.79 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.87 3.89 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 19 D 8.22 4.35 0.00 2.87 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 20 T 7.88 4.05 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 1.37 0.00 0.00 21 L 7.98 3.89 0.00 1.81 1.67 0.86 0.93 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 22 A 8.00 3.99 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.04 3.90 0.00 2.00 1.78 1.03 0.59 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 24 I 8.29 3.83 1.82 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 1.32 0.69 0.00 0.00 25 A 7.80 4.06 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 26 K 7.65 4.03 0.00 1.82 1.80 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.51 7.81 27 N 8.55 4.14 0.00 2.88 2.87 0.00 0.00 7.33 8.16 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 28 G 7.98 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 0.00 0.00 0.00 29 P 0.00 4.07 0.00 1.97 1.95 0.00 3.55 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 30 Y 8.03 4.96 0.00 3.21 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 31 P 0.00 4.14 0.00 1.69 2.07 0.00 4.17 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 2.31 2.09 0.00 32 Y 7.96 4.80 0.00 3.36 2.92 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 33 N 8.87 4.51 0.00 2.79 2.94 0.00 0.00 7.04 7.72 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 34 R 8.03 4.25 0.00 1.84 1.94 0.00 3.31 0.00 0.00 3.36 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 35 D 7.67 4.17 0.00 2.87 2.21 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 36 G 7.80 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 0.00 0.00 0.00 37 V 7.03 3.87 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 0.74 0.00 0.00 0.93 0.00 0.00 38 V 8.28 3.93 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 0.84 0.00 0.00 0.89 0.00 0.00 39 F 8.85 4.70 0.00 2.96 2.99 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 40 E 8.42 3.87 0.00 1.72 1.81 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 2.22 2.17 0.00 41 N 6.10 3.49 0.00 2.75 2.70 0.00 0.00 7.38 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 42 R 7.60 3.79 0.00 1.66 1.87 0.00 3.18 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 43 E 7.97 4.04 0.00 2.01 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 0.00 2.37 2.27 0.00 44 S 7.62 3.91 0.00 4.00 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 45 R 7.47 4.12 0.00 2.03 2.15 0.00 3.44 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 46 L 7.17 4.30 0.00 1.09 0.80 -0.51 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.18 0.00 2.14 2.06 0.00 3.54 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 48 K 8.50 4.10 0.00 1.69 1.69 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.38 7.81 49 K 8.21 4.41 0.00 1.26 0.78 0.00 0.82 0.00 0.00 1.34 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 0.26 7.81 50 G 8.05 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 0.00 0.00 0.00 51 N 8.40 4.32 0.00 2.73 2.77 0.00 0.00 6.97 7.64 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 52 G 8.94 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 53 Y 7.89 3.92 0.00 3.02 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 54 Y 7.87 5.47 0.00 3.43 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 55 H 9.40 5.59 0.00 3.21 3.22 0.00 5.55 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.79 5.29 0.00 2.08 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 2.35 2.17 0.00 57 F 8.87 5.04 0.00 3.04 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 58 T 9.34 4.47 4.18 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 0.94 0.00 0.00 59 V 8.14 4.58 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 1.08 0.00 0.00 1.19 0.00 0.00 60 V 8.71 3.78 2.17 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 0.98 0.00 0.00 1.09 0.00 0.00 61 T 8.46 4.36 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 1.21 0.00 0.00 *62 P 0.00 4.23 0.00 1.90 1.86 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.11 0.00 *66 D 8.20 4.71 0.00 2.44 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 67 R 8.46 3.51 0.00 1.55 1.76 0.00 2.95 0.00 0.00 2.99 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 0.00 68 G 7.77 3.80 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 0.00 0.00 0.00 69 T 8.10 4.24 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 1.13 0.00 0.00 70 R 7.63 4.43 0.00 2.03 2.01 0.00 3.26 0.00 0.00 3.76 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 71 R 8.62 5.21 0.00 1.48 1.81 0.00 3.23 0.00 0.00 2.98 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.84 0.00 72 V 8.96 5.09 2.30 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 1.24 0.00 0.00 1.18 0.00 0.00 73 V 9.18 5.20 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 0.97 0.00 0.00 0.57 0.00 0.00 74 T 9.39 5.25 4.35 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 0.00 0.00 0.00 1.31 0.00 0.00 75 G 8.95 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 76 G 5.48 3.11 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 0.00 0.00 0.00 0.00 77 Y 8.34 4.50 0.00 3.13 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 78 G 8.15 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 0.00 0.00 0.00 0.00 79 E 7.93 4.25 0.00 1.91 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 0.00 2.60 2.57 0.00 80 Q 8.28 5.10 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 81 Y 9.34 5.39 0.00 3.04 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 82 W 9.62 5.47 0.00 3.31 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 83 S 8.59 4.33 0.00 3.05 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 84 P 0.00 3.71 0.00 2.01 1.78 0.00 3.21 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 85 D 6.66 4.47 0.00 2.65 2.65 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 0.00 0.00 0.00 0.00 86 H 8.61 3.30 0.00 3.01 3.12 0.00 5.85 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 87 Y 7.58 3.22 0.00 3.24 3.12 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 0.00 0.00 0.00 88 A 7.74 4.13 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 89 T 8.09 4.79 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 1.21 0.00 0.00 90 F 8.60 5.16 0.00 2.86 2.98 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 91 Q 9.21 5.05 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.23 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 92 E 9.40 4.48 0.00 1.95 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 2.55 2.50 0.00 93 I 8.31 4.52 1.95 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 1.14 0.61 0.87 0.00 0.00 94 D 9.08 4.81 0.00 2.69 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 95 P 0.00 4.43 0.00 2.20 2.13 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 96 R 8.16 4.26 0.00 1.92 2.00 0.00 3.13 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 97 C 7.75 4.44 0.00 3.03 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 * Residues marked with a * may have inaccurate shift predictions.