NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3777 8.1849 120.6225 54.7770 43.1583 175.4608 5 R 4.0916 7.8453 117.3211 53.9430 33.8385 173.8083 6 I 2.7295 8.0738 123.8231 59.4337 38.4093 174.0553 7 P 4.0537 0.0000 0.0000 62.6647 31.5074 177.2956 8 K 4.1647 8.6220 120.3879 58.2052 32.5029 176.8991 9 N 4.9180 8.0147 115.8445 52.6565 38.1261 174.7659 10 W 4.7787 8.2857 119.3528 57.3066 30.3075 175.3374 11 T 4.9335 9.2250 117.3849 61.6752 73.0556 173.2947 12 I 3.3361 7.6704 123.6831 60.9365 37.7213 175.2042 13 Q 4.2244 9.1902 133.2660 58.2171 28.9298 175.8359 14 R 4.7648 7.7702 114.2712 54.7331 33.2583 173.0380 15 S 5.3943 8.6044 116.9767 57.0481 65.4657 173.9906 16 T 4.5015 8.5004 114.5492 60.0498 70.3186 172.6515 17 P 4.2025 0.0000 0.0000 61.3759 32.5710 175.7520 18 F 4.2573 8.0101 117.4859 57.9627 39.4229 175.0542 19 F 5.3518 8.9669 121.5726 56.4032 42.4160 174.4509 20 T 5.3296 9.2199 116.4551 62.1190 73.0012 175.3042 21 K 4.0525 8.9868 121.9034 59.7653 32.3386 178.7033 22 D 4.5467 8.3084 118.1827 56.4488 40.8865 176.6147 23 N 5.0078 8.0052 112.3789 51.9109 38.3100 174.8446 24 V 3.5188 8.1072 120.3884 61.1004 32.1340 174.1949 25 P 4.3446 0.0000 0.0000 62.1078 31.8558 177.1295 26 E 4.0224 8.8082 120.4517 58.8994 29.1474 178.8654 27 A 3.9876 7.8646 120.5897 54.3049 17.8028 178.4090 28 L 4.2647 7.9225 117.1030 56.3848 42.0666 178.4453 29 L 4.3357 7.5057 117.4384 55.4309 41.8891 176.7913 30 T 4.3718 7.2169 108.6306 59.7641 70.8614 173.6568 31 H 4.7347 8.5653 121.6761 56.7739 29.8592 173.1737 32 H 4.6723 8.6728 121.9327 54.3805 32.2672 171.3700 33 N 5.1438 7.7045 114.3275 51.9601 40.5879 173.6489 34 T 4.6449 8.2410 108.8759 59.8030 70.9393 174.2337 35 A 4.4292 8.4483 125.0376 51.8086 19.0546 179.0448 36 V 3.9392 8.3788 119.0983 64.3357 31.4405 175.9814 37 D 5.2376 7.4338 120.3041 53.4137 40.5576 176.0815 38 V 5.8726 7.8251 108.3912 59.5203 36.9748 174.5034 39 F 5.2081 9.5575 122.3639 55.9336 41.6296 174.9837 40 G 4.1305 9.0570 112.4271 45.1342 0.0000 172.6012 41 Q 4.8734 9.0690 130.3272 54.7014 29.8918 174.5738 42 I 4.7410 8.8898 129.4193 60.9540 38.6751 174.8789 43 C 5.1585 9.3898 126.2205 58.1693 30.3352 174.0518 44 V 4.5361 8.5941 124.1246 61.5207 33.8666 174.0168 *46 E 4.1299 8.4796 123.2738 57.1047 31.0972 176.5384 47 G 3.9772 8.8966 111.2626 45.4585 0.0000 172.2092 48 V 4.5416 8.5015 120.1747 61.3041 35.3346 175.3472 49 V 4.6946 8.7391 128.0110 61.5055 33.8155 174.2693 50 T 4.6925 9.0668 125.7078 62.5388 70.0051 173.0243 51 Y 4.7833 8.9307 129.2402 56.2545 40.8443 173.6493 52 Y 4.9423 8.6698 124.9044 56.1672 40.7247 174.9855 53 G 4.7871 9.3909 112.1492 43.8293 0.0000 172.2198 54 F 5.1615 8.5027 120.2876 55.0748 41.7343 175.3076 55 A 4.4668 9.2722 125.3236 54.5419 18.4762 176.8645 56 N 4.7264 7.7374 110.3298 51.7945 39.7945 174.8373 57 S 2.7900 8.0738 112.4222 60.1841 61.9974 174.4401 58 E 4.1748 7.8049 116.9974 56.1321 30.1300 176.3340 59 A 4.2192 7.7680 122.5808 52.4359 18.8919 177.2930 60 T 4.5083 8.4927 109.0845 60.9284 70.9470 173.7692 61 E 4.6898 8.0063 122.3441 53.1879 31.8596 173.5818 62 P 3.7782 0.0000 0.0000 62.7422 31.9533 175.8403 63 E 4.5904 8.5990 118.3719 56.6723 31.5704 175.2842 64 I 4.7100 7.2778 120.4439 59.7361 41.7600 172.9380 65 K 5.0973 8.6693 129.7249 54.6124 35.1427 175.4815 66 V 4.4587 8.8018 126.4549 60.1043 34.7480 174.6024 67 V 4.3698 8.4269 118.1917 60.2103 33.0564 175.2757 68 I 4.3929 8.7802 126.6276 59.7514 39.5165 175.1244 69 N 5.3655 8.9029 124.4518 50.9748 41.4697 174.5743 70 A 4.2588 7.7792 122.4224 54.3696 18.6168 178.4108 71 G 4.0182 9.5493 111.9081 44.9617 0.0000 172.5373 72 Q 4.8896 8.0256 118.0166 54.0584 33.0516 174.0585 73 F 5.5214 7.8758 113.3359 55.9471 41.0650 173.5467 74 A 4.7805 9.0260 121.2747 50.4091 22.4432 174.9579 75 T 4.9125 8.4902 111.5034 60.2010 71.2293 173.7631 76 S 4.7703 8.9058 120.3465 55.9762 64.3187 171.7546 77 P 4.6071 0.0000 0.0000 61.7370 32.6173 174.1922 78 P 4.5446 0.0000 0.0000 63.6726 31.5667 176.8152 79 Q 4.0489 8.4178 119.7513 56.1993 27.3933 172.6971 80 Y 4.5541 7.9428 121.3792 57.0283 40.0069 174.7569 81 W 4.6051 8.6918 127.0974 57.1315 30.8676 174.8810 82 H 5.4739 9.0598 118.4728 55.4070 32.0940 172.1859 83 R 5.0445 9.0405 118.3513 54.8254 33.5969 173.5013 84 I 5.2014 7.9706 115.7287 59.2160 40.5096 174.6045 85 E 4.8445 9.0713 122.8773 54.6968 33.0464 174.7686 86 L 5.2121 8.5485 123.3432 52.9568 44.2300 176.4861 87 S 4.4732 8.6657 117.0940 57.7584 64.2229 174.7941 88 D 4.3854 8.9467 121.3466 57.2525 40.6461 177.6359 89 D 4.8054 7.9316 114.9643 52.6776 39.7819 176.0504 90 A 4.4961 7.9183 122.0891 53.0627 19.1989 178.1120 91 Q 4.8312 9.1389 123.0159 55.3138 31.8631 173.5070 92 F 5.6203 9.3015 121.1755 55.8130 42.3409 172.6823 93 N 5.0211 9.4087 115.2675 51.4643 41.2525 173.1989 94 I 4.9404 8.6721 120.1181 59.5826 40.7752 174.3405 95 N 4.9186 8.7510 124.3108 51.4949 40.8582 173.8693 96 F 5.2023 8.8513 124.0922 56.4957 40.4186 175.2949 97 W 5.2331 9.7455 124.8813 56.1307 31.4345 175.5099 98 S 4.4509 9.0970 116.7689 57.9001 66.3606 174.3915 99 D 4.0619 7.4115 120.1692 54.1516 41.1740 174.7200 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 4 L 8.18 4.38 0.00 1.82 1.91 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.85 4.09 0.00 1.61 1.51 0.00 3.11 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.59 0.00 6 I 8.07 2.73 1.06 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.31 0.00 0.00 7 P 0.00 4.05 0.00 1.83 1.95 0.00 2.20 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.76 0.00 8 K 8.62 4.16 0.00 1.85 1.88 0.00 1.54 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.45 7.81 9 N 8.01 4.92 0.00 2.95 3.05 0.00 0.00 6.16 8.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 W 8.29 4.78 0.00 3.44 3.56 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 0.00 0.00 0.00 11 T 9.22 4.93 4.26 0.00 0.00 0.00 0.00 0.00 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 12 I 7.67 3.34 0.66 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.21 0.57 0.00 0.00 13 Q 9.19 4.22 0.00 2.07 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.39 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 14 R 7.77 4.76 0.00 1.87 1.93 0.00 2.91 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 15 S 8.60 5.39 0.00 3.63 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 16 T 8.50 4.50 4.33 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 1.67 0.00 0.00 17 P 0.00 4.20 0.00 1.92 1.90 0.00 3.55 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 1.26 1.85 0.00 18 F 8.01 4.26 0.00 2.88 2.84 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 19 F 8.97 5.35 0.00 2.09 2.71 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 20 T 9.22 5.33 4.47 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 1.32 0.00 0.00 21 K 8.99 4.05 0.00 1.81 1.94 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.52 1.56 7.81 22 D 8.31 4.55 0.00 2.72 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 23 N 8.01 5.01 0.00 2.89 2.95 0.00 0.00 6.03 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 24 V 8.11 3.52 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 0.82 0.00 0.00 0.92 0.00 0.00 25 P 0.00 4.34 0.00 2.08 2.05 0.00 2.53 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.26 0.00 26 E 8.81 4.02 0.00 2.20 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 2.34 2.36 0.00 27 A 7.86 3.99 1.24 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 0.00 0.00 28 L 7.92 4.26 0.00 1.83 1.85 0.79 0.53 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 29 L 7.51 4.34 0.00 1.74 1.75 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.22 4.37 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 31 H 8.57 4.73 0.00 3.06 3.29 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 H 8.67 4.67 0.00 2.95 3.24 0.00 5.29 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 33 N 7.70 5.14 0.00 2.18 1.42 0.00 0.00 5.86 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 34 T 8.24 4.64 4.42 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 1.50 0.00 0.00 35 A 8.45 4.43 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.38 3.94 2.10 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 0.73 0.00 0.00 0.97 0.00 0.00 37 D 7.43 5.24 0.00 2.85 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.83 5.87 2.43 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 1.10 0.00 0.00 1.13 0.00 0.00 39 F 9.56 5.21 0.00 3.27 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 40 G 9.06 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 0.00 0.00 0.00 0.00 41 Q 9.07 4.87 0.00 2.26 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.09 0.00 42 I 8.89 4.74 1.96 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.52 1.08 0.00 0.00 43 C 9.39 5.16 0.00 3.17 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 44 V 8.59 4.54 2.35 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 1.16 0.00 0.00 1.01 0.00 0.00 *46 E 8.48 4.13 0.00 2.11 1.83 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 2.26 2.39 0.00 47 G 8.90 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 48 V 8.50 4.54 2.09 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 0.91 0.00 0.00 1.02 0.00 0.00 49 V 8.74 4.69 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 0.76 0.00 0.00 0.58 0.00 0.00 50 T 9.07 4.69 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 0.71 0.00 0.00 51 Y 8.93 4.78 0.00 3.02 2.86 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 0.00 0.00 0.00 0.00 52 Y 8.67 4.94 0.00 3.02 2.56 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 0.00 0.00 0.00 53 G 9.39 4.79 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 0.00 0.00 0.00 54 F 8.50 5.16 0.00 2.84 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 55 A 9.27 4.47 1.41 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 56 N 7.74 4.73 0.00 2.82 2.92 0.00 0.00 5.83 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 57 S 8.07 2.79 0.00 2.96 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 58 E 7.80 4.17 0.00 2.05 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 0.00 2.11 2.05 0.00 59 A 7.77 4.22 1.44 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 60 T 8.49 4.51 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 1.17 0.00 0.00 61 E 8.01 4.69 0.00 1.90 1.85 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 2.17 2.32 0.00 62 P 0.00 3.78 0.00 1.99 1.62 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.45 0.00 63 E 8.60 4.59 0.00 2.09 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 2.36 2.38 0.00 64 I 7.28 4.71 1.95 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 1.32 1.20 1.20 0.00 0.00 65 K 8.67 5.10 0.00 1.77 1.61 0.00 1.93 0.00 0.00 1.80 0.00 0.00 2.68 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.17 0.95 7.81 66 V 8.80 4.46 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 0.89 0.00 0.00 0.84 0.00 0.00 67 V 8.43 4.37 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 0.66 0.00 0.00 0.89 0.00 0.00 68 I 8.78 4.39 1.86 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 1.16 0.81 0.90 0.00 0.00 69 N 8.90 5.37 0.00 2.65 2.73 0.00 0.00 6.43 7.78 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 70 A 7.78 4.26 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 71 G 9.55 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 0.00 0.00 0.00 72 Q 8.03 4.89 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 73 F 7.88 5.52 0.00 3.09 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 74 A 9.03 4.78 0.99 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 75 T 8.49 4.91 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 1.19 0.00 0.00 76 S 8.91 4.77 0.00 3.99 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 P 0.00 4.61 0.00 2.12 1.97 0.00 3.64 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 1.83 2.15 0.00 78 P 0.00 4.54 0.00 1.94 2.18 0.00 3.43 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 79 Q 8.42 4.05 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 80 Y 7.94 4.55 0.00 3.25 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 81 W 8.69 4.61 0.00 3.18 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 82 H 9.06 5.47 0.00 2.76 3.34 0.00 5.24 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 9.04 5.04 0.00 1.98 1.97 0.00 3.15 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 1.63 1.76 0.00 84 I 7.97 5.20 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.86 1.07 0.00 0.00 85 E 9.07 4.84 0.00 2.03 1.92 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 2.31 2.46 0.00 86 L 8.55 5.21 0.00 1.58 1.63 1.20 0.68 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 87 S 8.67 4.47 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 4.39 0.00 2.71 2.84 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 89 D 7.93 4.81 0.00 2.78 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 90 A 7.92 4.50 1.46 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 0.00 0.00 91 Q 9.14 4.83 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.63 0.00 0.00 0.00 0.00 0.00 1.94 2.15 0.00 92 F 9.30 5.62 0.00 3.48 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 93 N 9.41 5.02 0.00 2.42 2.37 0.00 0.00 7.19 6.87 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 94 I 8.67 4.94 1.75 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.99 0.10 0.00 0.00 95 N 8.75 4.92 0.00 2.81 2.45 0.00 0.00 6.63 7.67 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 96 F 8.85 5.20 0.00 3.15 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 97 W 9.75 5.23 0.00 3.70 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 98 S 9.10 4.45 0.00 3.88 3.60 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 99 D 7.41 4.06 0.00 1.58 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.