NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7644 8.3549 109.7234 45.1833 0.0000 172.7330 2 F 4.1713 8.3660 119.3575 55.0177 39.3274 172.7823 3 P 4.4642 0.0000 0.0000 62.7206 32.8365 175.3447 4 I 4.4567 8.2306 122.2155 59.0987 38.3843 173.9665 5 P 4.3805 0.0000 0.0000 62.6425 31.8049 174.8311 6 D 5.0151 8.5091 121.0040 51.4169 43.2574 173.2800 7 P 4.6251 0.0000 0.0000 62.8266 32.1053 176.9305 8 Y 5.1134 8.8122 121.2816 57.3513 36.1254 174.6646 9 V 4.3586 7.2502 121.7042 59.7419 35.1303 174.3867 10 W 2.6698 7.9422 133.4983 55.8247 31.4622 175.1443 11 D 4.6940 6.7891 123.1050 50.2762 42.1499 174.6029 12 P 3.7653 0.0000 0.0000 65.4752 31.3978 178.6786 13 S 4.0514 7.5417 111.1112 60.2552 62.8848 174.9425 14 F 4.0981 7.4510 118.7195 57.3247 39.1262 176.3316 15 R 4.4325 7.4630 121.0923 57.0151 30.1067 176.5955 16 T 4.2057 9.0612 111.3680 61.1743 70.0450 175.6599 17 F 3.8927 7.7508 119.3109 58.2173 37.0225 175.1891 18 Y 4.6287 7.3080 120.2153 56.1822 37.9253 176.0968 19 S 3.9327 8.4882 117.3998 61.5763 62.8667 175.1830 20 I 3.6242 7.9091 120.2119 64.6801 37.5103 178.0027 21 I 3.8490 7.7907 119.7130 64.4018 36.8867 178.0062 22 D 4.3979 8.3836 120.0748 57.1928 40.2620 178.5275 23 D 4.0519 8.2518 119.9512 57.1848 40.6668 178.6075 24 E 3.9779 8.0301 118.6376 59.4770 29.4409 179.0834 25 H 4.8186 7.7800 117.8217 58.0523 28.6126 177.8966 26 K 3.8298 7.3521 120.7816 59.6510 31.9970 179.4508 27 T 3.8757 7.5313 109.6274 64.7362 68.0117 176.2428 28 L 3.8862 7.7343 123.2134 57.6892 42.0973 178.9036 29 F 4.2117 8.3947 117.9810 60.4750 38.8506 177.0359 30 N 4.5314 8.2832 116.9524 56.7368 38.8462 177.1312 31 G 3.6347 8.0697 106.7333 47.8600 0.0000 175.5068 32 I 3.8629 7.3184 119.6494 63.0889 37.5595 177.8510 33 F 4.3460 8.1214 122.1228 61.8004 39.2219 176.7980 34 H 4.0488 8.2383 115.2328 58.5695 28.4039 177.2657 35 L 4.0139 7.7554 119.7870 56.7378 41.8964 177.5168 36 A 4.5770 7.5420 118.1086 53.4594 20.2336 178.3043 37 I 4.1624 7.3564 117.3104 62.7507 37.9557 175.4761 38 D 4.3449 8.2320 120.5046 53.2508 41.7503 175.0135 39 D 4.5558 8.7682 123.5562 54.7535 40.8438 175.7669 40 N 4.4641 8.4640 116.6677 52.1354 38.0458 175.5293 41 A 4.0740 8.3605 118.9857 54.7841 18.3356 179.5016 42 D 4.2834 7.9673 117.5220 57.5517 41.0207 178.4290 43 N 4.2821 7.9862 116.6003 56.0623 38.6039 177.1280 44 L 3.7462 7.7206 121.9298 57.8384 42.1487 179.2910 45 G 3.5453 8.0514 105.8733 47.5658 0.0000 175.4290 46 E 3.8843 8.2893 121.8450 58.7802 29.6621 178.7533 47 L 3.7585 7.7416 120.4274 58.1865 41.7332 178.8933 48 R 3.9119 8.1540 118.8167 59.3455 29.8189 178.1057 49 R 3.8892 7.8428 118.9262 59.0585 30.1008 177.5715 50 C 3.9380 8.0012 117.9570 63.1273 31.4954 175.7398 51 T 3.5730 8.3015 117.3783 66.6198 68.0130 176.5427 52 G 3.6678 7.8102 108.6021 48.5260 0.0000 176.3617 53 K 4.0383 8.1046 125.6742 59.8681 31.7828 181.0747 54 H 4.7153 8.2791 121.4449 58.5614 29.9078 177.1739 55 F 4.5376 8.9630 120.2178 60.7138 38.7060 177.4885 56 L 4.2280 8.1853 119.7196 58.4244 41.8443 178.6257 57 N 4.3168 8.9644 116.9907 56.4499 38.5161 176.9370 58 E 3.9600 8.7214 120.8001 58.8548 29.7266 178.6944 59 Q 4.2036 8.0091 118.1548 58.6066 28.9748 178.4539 60 V 3.7164 8.3330 122.2815 66.5234 30.7336 178.7887 61 L 3.9808 7.7185 122.0888 59.4973 40.6872 181.4667 62 M 4.3459 7.7511 118.7247 58.5442 31.9907 178.9610 63 Q 4.0138 8.3146 117.7178 58.4608 28.5377 178.5345 64 A 4.0773 7.7382 121.0511 54.1770 18.3396 178.2895 65 S 4.5213 7.1690 111.4680 57.5881 63.8679 174.7862 66 Q 3.1034 7.7680 117.5307 56.5337 26.1029 173.9347 67 Y 4.2329 8.5369 119.7565 57.8713 39.8826 176.8048 68 Q 3.5369 8.0358 128.0928 58.4462 29.3924 176.7879 69 F 4.8946 5.5657 114.6826 57.2934 39.7583 176.6879 70 Y 4.4371 7.7274 124.7698 61.2643 38.3530 177.9172 71 D 4.4425 8.3331 119.2769 57.4769 41.1122 178.4458 72 E 4.0443 8.3086 117.5865 59.7816 29.6535 178.4666 73 H 4.1580 8.2509 118.7533 58.7955 29.8996 177.2147 74 K 3.7555 7.9815 121.7282 59.1122 31.4950 179.0223 75 K 4.1998 8.2078 118.9476 59.4335 31.4128 179.1498 76 E 4.2513 8.2229 118.9072 59.7635 29.4151 179.1459 77 H 3.6908 8.0816 115.7865 58.9466 28.7889 177.6736 78 E 4.1433 8.4993 122.6972 60.3147 29.1903 180.5101 *79 T 3.8854 7.7899 113.8766 66.1252 68.6779 179.8901 80 F 4.3604 7.7586 123.1246 61.0471 38.9578 177.3286 81 I 3.6233 7.9417 118.7627 64.2981 37.1177 177.5067 82 H 4.2285 8.3588 118.9376 59.3195 29.8658 176.8744 83 A 3.8734 8.4231 122.8527 55.5166 17.9539 179.6240 84 L 3.9723 7.5077 115.6449 57.0069 41.7088 178.3091 85 D 4.7562 7.7645 116.9152 54.0677 41.6696 176.3568 86 N 4.9862 7.7885 117.2296 51.3070 39.7844 175.0656 87 W 4.3744 8.5236 130.1414 58.6110 31.3260 175.8111 88 K 4.0398 7.5874 125.2795 53.8583 33.0488 174.0579 89 G 3.7219 5.3800 104.5637 45.4354 0.0000 174.9343 90 D 4.5759 6.7219 121.8412 54.5254 39.0773 176.8713 91 V 4.2692 7.9958 124.8577 64.6045 32.1172 177.7465 92 K 4.2466 8.1427 116.6626 60.0034 32.0779 178.9173 93 W 4.2938 9.8334 130.2925 59.8825 30.6804 177.8454 94 A 4.0038 8.3685 120.4559 55.0818 17.3623 179.8071 95 K 3.7198 8.4415 118.6507 58.9562 32.0221 179.6590 96 S 4.3581 8.3768 114.3723 60.4499 63.0846 176.4500 97 W 3.6374 8.1967 132.7819 60.4057 30.3535 177.3348 98 Y 3.8865 7.8554 119.3120 60.4459 38.1745 178.0558 99 V 3.4930 7.4095 118.2309 66.1456 31.6934 177.8274 100 N 3.9536 7.6572 115.5935 56.2535 38.3526 176.7104 101 H 3.4106 7.5065 119.9033 59.1473 29.7300 177.0726 102 I 3.5112 6.7824 122.4121 63.8341 36.7468 178.7359 103 K 2.0000 6.8680 117.7583 57.6162 31.6207 178.5453 104 T 4.3054 7.6095 108.8294 63.1940 70.0350 176.1307 105 I 3.8981 6.9335 121.5996 63.1076 37.2365 177.8038 106 D 3.8620 8.0890 120.0203 57.1011 40.6335 178.6761 107 F 4.4052 8.0122 118.2549 60.6035 38.5708 177.8368 108 K 4.1679 7.4227 117.4322 59.2954 32.0924 178.0287 109 Y 4.6125 7.6843 115.5554 56.5019 38.0090 175.5242 110 K 4.4344 7.5853 121.8384 58.3791 32.4212 177.6781 111 G 4.0868 9.2717 111.8242 45.9771 0.0000 174.0142 112 K 4.6396 8.4113 118.1131 56.1591 32.7587 176.5687 113 I 4.1720 7.6339 118.1397 61.0819 37.5270 174.8105 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 3.76 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 0.00 0.00 0.00 2 F 8.37 4.17 0.00 3.29 2.88 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 0.00 0.00 0.00 0.00 3 P 0.00 4.46 0.00 2.25 2.10 0.00 3.95 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 2.06 2.03 0.00 4 I 8.23 4.46 2.04 0.00 0.00 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 1.60 1.00 1.26 0.00 0.00 5 P 0.00 4.38 0.00 2.25 2.17 0.00 3.75 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 6 D 8.51 5.02 0.00 2.72 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 7 P 0.00 4.63 0.00 2.26 2.20 0.00 3.85 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 8 Y 8.81 5.11 0.00 3.19 3.26 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 9 V 7.25 4.36 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 0.73 0.00 0.00 0.73 0.00 0.00 10 W 7.94 2.67 0.00 2.47 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 11 D 6.79 4.69 0.00 2.67 2.48 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 0.00 12 P 0.00 3.77 0.00 2.07 2.13 0.00 3.41 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 2.10 2.15 0.00 13 S 7.54 4.05 0.00 3.81 3.86 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 14 F 7.45 4.10 0.00 2.10 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 15 R 7.46 4.43 0.00 1.43 0.85 0.00 3.14 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.77 0.00 16 T 9.06 4.21 4.67 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 1.61 0.00 0.00 17 F 7.75 3.89 0.00 3.08 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.31 4.63 0.00 3.10 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 19 S 8.49 3.93 0.00 3.92 3.88 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 0.00 0.00 0.00 0.00 20 I 7.91 3.62 1.89 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 1.64 1.07 0.94 0.00 0.00 21 I 7.79 3.85 2.23 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.53 1.10 0.00 0.00 22 D 8.38 4.40 0.00 2.80 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 23 D 8.25 4.05 0.00 2.78 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 24 E 8.03 3.98 0.00 2.02 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 2.33 2.64 0.00 25 H 7.78 4.82 0.00 3.37 3.71 0.00 5.65 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 26 K 7.35 3.83 0.00 1.62 1.64 0.00 1.24 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.50 0.36 7.81 27 T 7.53 3.88 4.21 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 1.24 0.00 0.00 28 L 7.73 3.89 0.00 1.83 1.31 0.85 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.39 4.21 0.00 3.41 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 30 N 8.28 4.53 0.00 2.81 3.10 0.00 0.00 7.11 8.45 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 31 G 8.07 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 32 I 7.32 3.86 1.61 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.64 0.66 0.00 0.00 33 F 8.12 4.35 0.00 3.56 3.24 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 34 H 8.24 4.05 0.00 3.31 3.30 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.76 4.01 0.00 1.75 1.73 0.59 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.54 4.58 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 37 I 7.36 4.16 1.83 0.00 0.00 0.19 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 0.27 0.84 0.00 0.00 38 D 8.23 4.34 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.77 4.56 0.00 2.87 2.70 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 40 N 8.46 4.46 0.00 2.91 2.96 0.00 0.00 6.91 6.78 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 41 A 8.36 4.07 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 42 D 7.97 4.28 0.00 2.70 2.68 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 43 N 7.99 4.28 0.00 2.67 2.79 0.00 0.00 6.77 6.74 0.00 0.00 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 L 7.72 3.75 0.00 1.56 1.65 0.11 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.05 3.55 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 0.00 0.00 0.00 46 E 8.29 3.88 0.00 2.11 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 2.28 2.31 0.00 47 L 7.74 3.76 0.00 1.70 1.59 0.75 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.15 3.91 0.00 1.78 1.94 0.00 3.05 0.00 0.00 2.91 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 49 R 7.84 3.89 0.00 1.98 1.95 0.00 3.14 0.00 0.00 3.06 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 50 C 8.00 3.94 0.00 3.16 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 51 T 8.30 3.57 3.96 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 0.37 0.00 0.00 52 G 7.81 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 53 K 8.10 4.04 0.00 1.79 1.83 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.31 7.81 54 H 8.28 4.72 0.00 3.30 3.57 0.00 5.81 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 55 F 8.96 4.54 0.00 3.27 3.02 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 56 L 8.19 4.23 0.00 1.94 1.94 1.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.96 4.32 0.00 3.03 2.89 0.00 0.00 6.73 7.96 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 58 E 8.72 3.96 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 59 Q 8.01 4.20 0.00 2.50 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.58 0.00 0.00 0.00 0.00 0.00 2.12 2.49 0.00 60 V 8.33 3.72 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 0.98 0.00 0.00 0.98 0.00 0.00 61 L 7.72 3.98 0.00 1.65 1.66 0.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 62 M 7.75 4.35 0.00 2.44 2.55 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.05 0.00 63 Q 8.31 4.01 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.60 2.17 0.00 64 A 7.74 4.08 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 65 S 7.17 4.52 0.00 4.05 3.88 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 0.00 0.00 0.00 0.00 66 Q 7.77 3.10 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 67 Y 8.54 4.23 0.00 3.06 3.04 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 68 Q 8.04 3.54 0.00 1.52 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.25 0.00 0.00 0.00 0.00 0.00 1.16 1.91 0.00 69 F 5.57 4.89 0.00 3.24 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 70 Y 7.73 4.44 0.00 3.29 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 71 D 8.33 4.44 0.00 2.84 2.79 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 72 E 8.31 4.04 0.00 2.24 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 0.00 2.75 2.44 0.00 73 H 8.25 4.16 0.00 3.55 3.36 0.00 5.60 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.98 3.76 0.00 1.43 1.80 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.63 1.38 7.81 75 K 8.21 4.20 0.00 2.04 1.91 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.71 1.67 7.81 76 E 8.22 4.25 0.00 2.32 2.27 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 2.55 2.49 0.00 77 H 8.08 3.69 0.00 3.18 2.89 0.00 5.65 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 78 E 8.50 4.14 0.00 2.23 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 0.00 2.39 2.39 0.00 *79 T 7.79 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 1.21 0.00 0.00 80 F 7.76 4.36 0.00 1.51 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 81 I 7.94 3.62 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.26 0.94 0.00 0.00 82 H 8.36 4.23 0.00 3.43 3.50 0.00 5.80 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 83 A 8.42 3.87 1.42 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 0.00 0.00 84 L 7.51 3.97 0.00 1.55 1.42 0.23 0.36 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 85 D 7.76 4.76 0.00 2.69 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 N 7.79 4.99 0.00 2.51 2.63 0.00 0.00 6.84 7.06 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 87 W 8.52 4.37 0.00 3.19 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 88 K 7.59 4.04 0.00 1.78 1.66 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 0.96 7.81 89 G 5.38 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 6.72 4.58 0.00 2.52 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 0.00 0.00 0.00 0.00 91 V 8.00 4.27 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 0.80 0.00 0.00 0.93 0.00 0.00 92 K 8.14 4.25 0.00 2.06 1.98 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.55 7.81 93 W 9.83 4.29 0.00 3.47 3.55 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 94 A 8.37 4.00 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 0.00 0.00 0.00 0.00 0.00 95 K 8.44 3.72 0.00 2.06 1.90 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.66 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 1.23 7.81 96 S 8.38 4.36 0.00 4.10 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 3.64 0.00 2.17 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 98 Y 7.86 3.89 0.00 2.92 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 99 V 7.41 3.49 2.13 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 1.00 0.00 0.00 1.08 0.00 0.00 100 N 7.66 3.95 0.00 2.67 2.70 0.00 0.00 6.72 7.92 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 0.00 101 H 7.51 3.41 0.00 1.50 2.61 0.00 5.79 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 0.00 102 I 6.78 3.51 1.68 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.34 0.77 0.00 0.00 103 K 6.87 2.00 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.85 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.30 7.81 104 T 7.61 4.31 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 1.39 0.00 0.00 105 I 6.93 3.90 1.35 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.08 0.48 0.00 0.00 106 D 8.09 3.86 0.00 2.54 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 0.00 107 F 8.01 4.41 0.00 2.96 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 0.00 108 K 7.42 4.17 0.00 2.06 2.08 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.47 1.66 7.81 109 Y 7.68 4.61 0.00 2.59 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 0.00 0.00 0.00 0.00 110 K 7.59 4.43 0.00 1.93 1.90 0.00 1.99 0.00 0.00 1.51 0.00 0.00 2.26 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.66 1.50 7.81 111 G 9.27 4.09 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 0.00 0.00 0.00 112 K 8.41 4.64 0.00 2.18 2.24 0.00 2.12 0.00 0.00 2.25 0.00 0.00 3.09 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.58 1.57 7.81 113 I 7.63 4.17 1.70 0.00 0.00 -0.40 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 -0.33 0.70 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.