NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8879 8.3544 109.7396 45.0850 0.0000 173.3154 2 D 4.6762 7.7947 119.2424 52.1584 43.5777 175.4194 3 T 3.8907 8.5583 123.7016 66.8913 68.9857 175.8705 4 H 4.1324 8.2659 119.6900 59.5200 29.8694 177.0087 5 E 3.9019 9.1695 120.6220 59.1410 29.2419 179.0857 6 F 4.1244 8.3549 120.7841 61.7843 39.5119 177.0169 7 H 4.2247 8.4390 115.8570 58.6189 28.4920 177.8236 8 K 3.8413 8.1779 120.6030 59.4159 31.8607 179.0228 9 L 3.8529 7.9808 120.5061 58.0914 42.0684 178.9278 10 L 3.7919 7.6342 118.8532 57.7692 41.4003 179.6327 11 I 3.5914 7.6655 119.6428 64.1842 37.0039 178.3360 12 K 3.7941 7.9609 120.4444 59.3338 31.8949 178.7191 13 V 3.3354 7.9560 118.9367 66.0565 31.2775 178.2168 14 V 3.5974 7.4588 117.4467 66.0542 31.3507 177.4572 15 D 4.2905 8.2000 118.8853 57.6621 40.6929 179.1046 16 L 3.9597 8.2736 119.6126 57.4024 41.5425 179.3723 17 F 5.0524 8.3064 122.2717 61.0604 39.2124 177.2207 18 L 3.5129 7.9303 117.5083 57.6122 41.4319 179.0653 19 E 3.9723 8.0608 117.0582 56.9175 29.4004 176.9635 20 D 4.5936 7.8112 117.6780 55.1702 40.4402 175.8603 21 R 3.8754 8.1073 117.6121 58.4597 30.5291 177.0492 22 I 4.2518 7.5766 120.9226 60.0701 37.4649 176.9157 23 K 4.2933 8.8277 125.1238 58.7467 32.2030 177.0041 24 E 5.3169 7.8237 114.5930 55.5534 33.9605 173.8417 25 F 4.9067 8.4658 115.0920 56.7781 41.7546 172.4066 26 E 5.0335 8.3384 116.1119 55.0320 32.5188 173.8511 *28 K 4.2442 8.4349 119.2098 56.7331 33.1407 174.6244 29 L 4.6306 8.6756 123.9351 54.2639 46.8237 174.2039 30 N 5.4852 8.5157 118.7853 52.6389 39.0987 172.7529 31 T 4.8372 9.0161 116.0062 60.1751 72.1304 172.1665 32 T 5.0768 8.7037 123.3424 62.0436 70.3637 173.6450 33 L 5.0037 9.1067 127.3495 52.1241 43.7982 176.4068 34 D 4.7841 9.0433 122.4656 54.0848 42.2232 176.4050 35 E 4.0856 8.6180 124.4740 59.7255 29.5439 179.3844 36 L 3.9966 8.1984 118.2121 57.9487 41.5887 179.3121 37 E 3.9652 8.1586 117.8764 59.3435 29.3983 178.8958 38 F 3.9990 8.4664 120.9689 61.3700 39.3201 177.0424 39 E 3.7545 8.5157 118.5529 59.2375 29.0064 178.8739 40 E 3.8282 7.9059 118.4354 59.0478 29.7235 178.2609 41 L 3.9349 7.6398 119.5878 58.1227 42.2235 178.5034 42 I 3.7879 7.0167 117.7533 61.7880 37.8393 178.2312 43 G 3.6966 8.3038 108.1505 46.7902 0.0000 176.4085 44 K 4.4184 8.3433 116.1320 53.5214 32.0176 173.8881 45 P 3.8419 0.0000 0.0000 62.0113 32.1196 176.6373 46 D 4.5628 8.2597 120.5808 56.9253 41.3410 176.7225 47 S 4.8218 7.6208 112.9948 57.4773 67.5501 173.1839 48 S 5.0509 8.2733 114.9966 57.3719 65.9449 172.7583 49 N 5.0614 8.8580 118.9731 52.0503 42.7154 172.9500 50 S 5.1844 8.9844 118.2455 55.3298 65.4339 172.6242 51 A 4.8033 9.0507 128.4487 50.0538 21.9119 173.9916 52 E 4.3351 8.6437 123.0726 54.2154 31.6793 174.9116 53 N 4.6467 8.7879 125.0963 53.1187 41.9393 173.9154 54 N 4.2533 9.7785 124.3718 54.4937 36.1846 175.2779 55 G 3.8669 8.2227 103.0223 45.4731 0.0000 173.3562 56 I 4.6039 7.3616 120.7810 59.2727 40.4358 174.5080 57 F 4.8895 8.9730 125.8952 56.2009 40.9890 174.8167 58 I 4.9822 8.7441 124.6414 59.8658 39.1470 174.2931 59 D 5.3029 9.2077 127.5982 52.5957 43.5634 175.2744 60 E 4.3726 8.6920 123.4448 54.4910 32.2394 173.9764 61 Y 5.0757 8.8172 125.1979 56.2855 40.7962 174.9313 62 S 5.2420 8.7294 120.1705 56.9414 65.9966 172.7962 63 Y 4.9715 8.9474 121.2721 55.9779 40.9160 175.2278 64 D 4.3297 10.0979 125.8068 54.6290 41.3318 175.8089 65 A 4.3436 8.5454 127.5921 53.8409 20.2445 176.4397 66 S 4.4859 7.3350 109.0543 57.8553 66.7132 174.7213 67 E 3.8819 8.8686 118.6373 60.0560 28.9291 177.7944 68 N 4.2495 7.5612 114.3998 51.7346 39.6119 174.5955 69 A 4.4040 6.8965 121.4684 50.6018 20.9620 175.8505 *71 K 4.6710 8.1475 116.3287 56.5567 33.8256 175.6075 72 K 5.2304 9.5604 123.9716 54.4805 35.6753 174.7315 73 L 5.1718 9.3769 126.6914 53.3485 44.8811 174.7380 74 F 5.2776 9.6597 125.6061 55.7647 41.5933 174.7600 75 V 4.9090 9.0320 123.8279 61.2108 34.3584 173.5567 76 E 5.3230 9.4708 130.3494 55.0795 31.2372 174.2817 77 Y 5.5223 9.2100 124.2066 56.0336 42.3923 173.4747 78 V 4.7808 8.8937 120.3018 61.1453 34.1855 174.7070 79 R 4.2811 8.8896 127.1911 56.1801 30.7994 176.2063 80 Q 4.5096 8.8162 123.6803 53.3859 30.4336 173.6824 81 P 4.2559 0.0000 0.0000 62.8545 32.0110 176.0488 82 E 3.8386 8.8469 115.6057 57.8193 27.4714 174.9976 83 F 3.5135 6.6103 110.3273 59.0308 36.9761 174.7940 84 K 5.1063 7.2724 118.0473 54.7901 36.5650 177.1038 85 Y 4.6827 8.8943 119.5608 56.5488 41.4914 175.2102 86 T 4.7851 8.9584 123.2459 62.8228 69.5847 174.3470 87 V 4.5144 9.0787 128.6540 62.6828 32.3633 176.3742 88 L 5.4302 9.3499 127.2058 55.3275 44.2503 176.1935 89 S 5.0119 7.8349 110.9419 57.3555 66.1974 173.3966 90 I 5.2792 8.3284 124.5411 59.6131 41.5131 174.0851 91 K 4.2831 9.2884 127.2089 54.3863 36.0429 174.8471 92 G 3.1163 7.6627 114.1938 43.8427 0.0000 172.0226 93 V 5.1879 9.1813 124.6754 61.2671 35.2759 174.0791 94 N 5.3736 9.8025 123.7890 52.4208 40.3097 174.0986 95 D 4.8833 8.4174 119.7978 52.6444 44.6914 174.0615 96 W 4.7994 8.9362 135.0000 56.7000 31.6718 175.3580 97 V 4.6348 8.2527 126.3397 60.6905 34.5865 174.9823 98 R 4.0577 8.5641 125.6442 56.0779 30.6861 176.3291 99 E 4.0710 8.6187 123.2542 56.7415 29.4541 176.6711 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 G 8.35 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 4.68 0.00 2.89 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 3 T 8.56 3.89 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 1.15 0.00 0.00 4 H 8.27 4.13 0.00 3.27 3.52 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 9.17 3.90 0.00 2.17 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 2.69 2.49 0.00 6 F 8.35 4.12 0.00 3.21 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 7 H 8.44 4.22 0.00 3.24 3.32 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.18 3.84 0.00 1.92 1.79 0.00 1.64 0.00 0.00 1.43 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.25 7.81 9 L 7.98 3.85 0.00 1.62 1.65 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.63 3.79 0.00 1.71 1.55 0.77 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.67 3.59 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.83 0.00 0.00 12 K 7.96 3.79 0.00 1.89 1.89 0.00 1.47 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.41 7.81 13 V 7.96 3.34 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 0.09 0.00 0.00 0.76 0.00 0.00 14 V 7.46 3.60 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 1.10 0.00 0.00 0.97 0.00 0.00 15 D 8.20 4.29 0.00 2.81 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 16 L 8.27 3.96 0.00 1.75 1.68 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.31 5.05 0.00 3.18 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 18 L 7.93 3.51 0.00 1.53 1.44 0.39 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.06 3.97 0.00 2.05 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 0.00 2.28 2.39 0.00 20 D 7.81 4.59 0.00 2.83 2.67 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 21 R 8.11 3.88 0.00 1.83 1.96 0.00 3.27 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 22 I 7.58 4.25 2.07 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.64 1.11 0.00 0.00 23 K 8.83 4.29 0.00 1.86 1.96 0.00 1.85 0.00 0.00 0.61 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.42 7.81 24 E 7.82 5.32 0.00 1.90 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 0.00 2.45 2.46 0.00 25 F 8.47 4.91 0.00 3.11 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 26 E 8.34 5.03 0.00 1.86 1.80 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 2.16 2.15 0.00 *28 K 8.43 4.24 0.00 1.81 1.85 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.52 7.81 29 L 8.68 4.63 0.00 1.86 1.70 1.05 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.52 5.49 0.00 2.70 2.70 0.00 0.00 6.68 7.70 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 31 T 9.02 4.84 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 1.63 0.00 0.00 32 T 8.70 5.08 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 1.26 0.00 0.00 33 L 9.11 5.00 0.00 1.87 1.70 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 34 D 9.04 4.78 0.00 2.84 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 35 E 8.62 4.09 0.00 2.61 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 2.45 2.52 0.00 36 L 8.20 4.00 0.00 1.76 1.72 0.94 0.96 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 37 E 8.16 3.97 0.00 2.18 2.03 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 2.47 2.44 0.00 38 F 8.47 4.00 0.00 2.79 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 39 E 8.52 3.75 0.00 2.04 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 2.26 2.40 0.00 40 E 7.91 3.83 0.00 2.04 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 0.00 2.28 2.30 0.00 41 L 7.64 3.93 0.00 1.61 1.56 0.85 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.02 3.79 1.22 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.06 -0.28 0.00 0.00 43 G 8.30 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 44 K 8.34 4.42 0.00 1.72 1.71 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.34 7.81 45 P 0.00 3.84 0.00 1.96 1.17 0.00 3.55 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 1.91 1.71 0.00 46 D 8.26 4.56 0.00 2.47 2.67 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 47 S 7.62 4.82 0.00 3.64 3.62 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 48 S 8.27 5.05 0.00 3.81 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 49 N 8.86 5.06 0.00 2.76 2.55 0.00 0.00 6.82 7.24 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 50 S 8.98 5.18 0.00 3.95 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 51 A 9.05 4.80 1.21 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 0.00 0.00 52 E 8.64 4.34 0.00 1.31 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 1.72 1.47 0.00 53 N 8.79 4.65 0.00 2.63 2.48 0.00 0.00 6.98 6.66 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 54 N 9.78 4.25 0.00 2.79 2.80 0.00 0.00 7.20 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 55 G 8.22 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 56 I 7.36 4.60 1.88 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 1.21 0.77 0.99 0.00 0.00 57 F 8.97 4.89 0.00 1.51 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 58 I 8.74 4.98 1.92 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 1.27 1.01 1.08 0.00 0.00 59 D 9.21 5.30 0.00 2.74 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 0.00 0.00 0.00 60 E 8.69 4.37 0.00 1.80 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 1.77 1.47 0.00 61 Y 8.82 5.08 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 62 S 8.73 5.24 0.00 3.63 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 63 Y 8.95 4.97 0.00 2.70 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 64 D 10.10 4.33 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.55 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.34 4.49 0.00 3.77 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 67 E 8.87 3.88 0.00 2.68 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 2.20 2.23 0.00 68 N 7.56 4.25 0.00 1.44 1.42 0.00 0.00 6.83 7.54 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 69 A 6.90 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *71 K 8.15 4.67 0.00 1.73 1.67 0.00 0.61 0.00 0.00 1.44 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.04 7.81 72 K 9.56 5.23 0.00 1.79 1.45 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.43 7.81 73 L 9.38 5.17 0.00 2.05 1.92 1.08 0.96 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 74 F 9.66 5.28 0.00 2.90 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 75 V 9.03 4.91 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 1.33 0.00 0.00 1.13 0.00 0.00 76 E 9.47 5.32 0.00 2.18 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 0.00 2.30 2.28 0.00 77 Y 9.21 5.52 0.00 3.27 3.21 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 78 V 8.89 4.78 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 1.08 0.00 0.00 0.98 0.00 0.00 79 R 8.89 4.28 0.00 1.75 1.65 0.00 3.10 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 80 Q 8.82 4.51 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 81 P 0.00 4.26 0.00 2.09 1.85 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 82 E 8.85 3.84 0.00 2.07 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 0.00 2.27 2.45 0.00 83 F 6.61 3.51 0.00 3.22 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 84 K 7.27 5.11 0.00 1.60 1.66 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.51 7.81 85 Y 8.89 4.68 0.00 2.41 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 86 T 8.96 4.79 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 1.35 0.00 0.00 87 V 9.08 4.51 2.26 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 1.14 0.00 0.00 1.21 0.00 0.00 88 L 9.35 5.43 0.00 1.67 1.74 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.83 5.01 0.00 3.96 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 90 I 8.33 5.28 2.14 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 1.39 1.06 1.14 0.00 0.00 91 K 9.29 4.28 0.00 1.60 1.52 0.00 1.37 0.00 0.00 1.29 0.00 0.00 2.65 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.14 1.24 7.81 92 G 7.66 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 0.00 0.00 0.00 93 V 9.18 5.19 2.38 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 1.21 0.00 0.00 0.96 0.00 0.00 94 N 9.80 5.37 0.00 2.71 2.83 0.00 0.00 6.65 7.95 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 95 D 8.42 4.88 0.00 2.72 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 96 W 8.94 4.80 0.00 3.53 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 97 V 8.25 4.63 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 0.78 0.00 0.00 1.00 0.00 0.00 98 R 8.56 4.06 0.00 1.88 1.84 0.00 3.34 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 99 E 8.62 4.07 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 2.37 2.05 0.00 * Residues marked with a * may have inaccurate shift predictions.