NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3642 8.3027 120.1848 56.2332 31.4455 173.8162 3 L 4.6959 8.4911 126.4441 53.2064 43.1716 172.1285 4 E 4.3782 9.6858 128.1584 57.9784 31.0486 175.2876 5 D 4.7918 7.8039 117.8955 52.5584 44.6396 174.4266 6 A 4.7112 8.8038 128.3428 51.3059 20.9931 176.2418 7 N 4.1107 8.5953 114.2501 54.5126 35.7603 174.7367 8 V 3.7776 7.3343 118.2079 62.7303 32.7430 176.3317 9 T 4.2219 8.0558 114.9493 59.7242 67.5498 173.3600 10 K 3.8844 8.3771 126.7806 56.5439 32.1831 176.9312 11 K 4.2359 8.4308 126.1346 54.2372 32.5087 175.8274 12 V 3.8344 8.2339 127.1203 62.6245 30.7592 175.0722 13 E 4.4357 8.6661 127.4269 56.7149 30.9510 175.4361 14 L 4.7066 7.7627 118.8234 51.3479 42.4053 176.4739 15 R 3.8620 8.5346 123.1327 59.2165 30.0990 175.7067 16 P 4.2220 0.0000 0.0000 65.3898 31.2303 178.4343 17 L 4.0426 7.9910 117.9705 57.3406 41.1645 179.4926 18 I 3.7614 7.8410 119.8260 64.4315 37.4962 178.3104 19 G 3.7496 8.0307 105.9864 47.7963 0.0000 175.3644 20 L 4.0589 7.9348 120.7006 57.1119 42.0062 178.7112 21 T 4.3995 7.7025 107.3072 60.3346 69.4044 174.5196 22 R 4.0280 7.0654 122.9729 58.0619 30.4089 176.7166 23 G 3.9984 8.9038 113.2320 45.1422 0.0000 173.6209 24 L 4.1333 7.3764 119.5098 53.7759 42.4457 175.3992 25 P 4.3714 0.0000 0.0000 62.0903 32.1569 175.6863 26 P 4.2880 0.0000 0.0000 66.6187 30.8077 178.6924 27 T 3.8943 7.9108 112.0700 65.0185 67.2737 175.7217 28 D 4.3635 8.2490 121.0584 57.1121 40.7906 178.4469 29 L 3.9971 7.8613 120.4875 57.9632 42.1381 178.7487 30 E 3.9531 8.3559 118.7429 59.6274 29.4506 179.2062 31 T 3.8898 8.2425 116.1477 66.7642 68.5356 176.5405 32 I 3.6925 7.8389 121.4427 64.8349 37.0781 178.7039 33 T 3.8478 8.1001 116.5811 66.5232 68.2539 176.8485 34 I 3.7187 8.2096 122.1750 64.6950 37.1026 178.3154 35 D 4.3864 8.2592 119.2674 57.1266 40.5706 178.7316 36 A 3.9810 8.0649 121.6001 54.8705 18.3212 179.7587 37 I 3.6853 8.0650 118.7449 64.7460 36.9922 178.9110 38 R 3.9676 8.1247 118.8456 59.4035 29.8345 179.1727 39 T 3.8786 8.2348 115.9659 66.8927 68.4422 175.9579 40 H 4.1131 8.2362 119.9091 59.5387 29.9099 177.4870 41 R 3.8884 7.9870 119.7345 59.0872 29.7535 179.1717 42 R 3.8720 7.7041 118.4281 59.3931 30.1433 178.5656 43 L 3.9680 7.8600 118.8801 57.5726 41.4810 179.6240 44 V 3.5096 8.0819 118.6769 65.9237 31.3972 177.4640 45 E 3.8992 8.0486 119.0232 59.2756 29.4188 178.7982 46 K 3.9185 8.2439 119.1816 59.5798 32.2652 178.6556 47 A 4.1574 8.1644 121.0859 55.2982 18.2975 179.3950 48 D 4.3999 8.5115 117.6950 57.6150 40.9640 178.8324 49 E 4.0491 8.5758 119.4146 59.4746 29.2301 179.4829 50 L 4.0763 8.0556 118.1860 57.4647 41.9498 178.9450 51 F 3.6857 8.5798 120.9645 61.3962 39.1262 177.3533 52 Q 3.9483 8.1233 115.6827 58.3335 28.5607 177.7942 53 A 4.1733 7.5192 119.9259 52.3271 19.0968 177.7615 54 L 3.9002 6.7461 117.3460 53.4200 42.5402 175.4573 55 P 4.3354 0.0000 0.0000 62.5441 32.0650 177.5598 56 E 3.9456 8.8903 121.4755 59.8596 29.2944 179.8454 57 T 3.8252 7.9933 109.2759 64.9569 68.4933 175.9544 58 Y 4.1094 8.0686 120.8792 60.0399 37.7418 178.0323 59 K 3.7683 7.8466 118.3024 59.4858 32.2788 178.9960 60 T 4.1541 7.9698 109.0031 62.9327 69.0115 175.7150 61 G 3.9620 7.5177 109.4008 45.0160 0.0000 174.1730 62 Q 3.9828 7.3820 119.1489 57.9626 29.3577 175.7728 63 A 4.4524 7.7124 119.7991 50.8310 22.1969 174.3580 64 C 4.2043 7.9139 113.5282 57.8173 32.5144 174.5880 65 G 4.0505 8.8625 104.4420 46.2820 0.0000 173.4578 66 G 4.0623 8.5556 104.4356 44.2528 0.0000 173.2246 67 P 4.2155 0.0000 0.0000 65.4907 31.2647 178.5785 68 Q 3.9123 8.1131 117.9140 59.7216 28.7775 178.0708 69 H 4.3232 8.1229 118.3384 59.4156 29.9831 176.9902 70 I 3.7028 7.9471 121.5569 64.4957 36.9510 178.5049 71 R 3.9561 8.2647 119.0143 59.4544 29.9056 178.4977 72 Y 4.1916 8.1547 119.1918 60.7203 38.7832 178.0217 73 I 3.2696 7.8821 120.6998 64.3900 37.1904 178.1856 74 E 3.8883 8.5681 119.4185 59.4124 29.0600 179.2968 75 A 3.9393 7.7240 119.6388 55.2010 18.4776 179.3456 76 S 4.0349 7.6729 110.7121 61.3522 62.6630 176.0492 77 I 3.9004 7.9633 122.9694 64.2325 36.7569 179.1685 78 E 4.0920 8.0917 117.9663 56.9822 29.1538 178.1384 *80 H 4.6313 8.1580 115.4271 55.3251 31.1430 174.7147 81 A 4.1279 8.4344 122.4967 55.3469 18.4177 180.3629 82 Q 4.4692 8.1516 118.2751 56.0266 28.7452 178.1454 *84 S 4.4294 8.5661 111.3572 58.0455 64.5416 174.9972 85 A 3.9118 7.7899 121.3811 55.2511 18.0019 179.4223 86 L 3.5734 7.9192 118.7816 58.2580 42.1394 178.8517 87 N 4.2308 7.8617 115.8724 56.5481 38.4681 177.3899 88 T 3.8755 7.7203 116.9206 66.5061 68.4424 176.7270 89 L 3.9441 7.8264 120.9072 58.0016 41.5907 179.1241 90 Y 4.2818 7.8094 116.6859 61.3305 37.5165 178.9478 91 S 4.2052 8.2196 116.0186 61.5844 62.6623 176.9377 92 I 3.7752 7.5420 121.6557 64.3391 36.9821 178.1713 93 L 4.1475 7.9366 119.1582 56.4389 40.8936 178.6495 94 G 4.1094 10.5113 106.6461 44.8311 0.0000 172.1628 95 F 5.0559 7.1532 112.3562 55.7180 41.3026 173.5295 96 I 3.7684 8.5049 121.2027 59.2024 38.1951 174.1818 97 P 5.0630 0.0000 0.0000 62.4225 32.3100 175.6143 98 K 4.3563 8.8241 124.3358 55.8987 32.7281 175.2892 99 V 4.1090 8.5396 128.0657 64.8975 33.8093 175.9486 *100 V 3.9330 7.7008 119.6222 60.9453 32.1670 177.2010 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 2 E 8.30 4.36 0.00 2.03 1.96 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 2.31 2.39 0.00 3 L 8.49 4.70 0.00 1.46 1.44 0.67 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.69 4.38 0.00 2.07 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 2.24 2.27 0.00 5 D 7.80 4.79 0.00 2.69 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 0.00 0.00 0.00 0.00 6 A 8.80 4.71 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.60 4.11 0.00 2.82 2.83 0.00 0.00 6.88 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 8 V 7.33 3.78 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 0.76 0.00 0.00 0.87 0.00 0.00 9 T 8.06 4.22 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 1.22 0.00 0.00 10 K 8.38 3.88 0.00 1.78 1.85 0.00 1.77 0.00 0.00 0.61 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.50 7.81 11 K 8.43 4.24 0.00 1.67 1.73 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.52 7.81 12 V 8.23 3.83 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 0.85 0.00 0.00 0.93 0.00 0.00 13 E 8.67 4.44 0.00 2.20 1.94 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 2.31 2.29 0.00 14 L 7.76 4.71 0.00 1.62 1.52 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.53 3.86 0.00 1.86 1.94 0.00 3.19 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 16 P 0.00 4.22 0.00 2.18 2.09 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 17 L 7.99 4.04 0.00 1.89 1.68 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.84 3.76 1.92 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 1.66 0.73 0.91 0.00 0.00 19 G 8.03 3.75 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 0.00 0.00 0.00 20 L 7.93 4.06 0.00 1.78 1.74 0.90 0.71 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 21 T 7.70 4.40 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 22 R 7.07 4.03 0.00 1.94 1.99 0.00 3.33 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 23 G 8.90 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 0.00 0.00 0.00 24 L 7.38 4.13 0.00 1.77 1.62 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.37 0.00 2.18 1.99 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.09 0.00 26 P 0.00 4.29 0.00 2.30 2.37 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 27 T 7.91 3.89 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 1.22 0.00 0.00 28 D 8.25 4.36 0.00 2.92 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 29 L 7.86 4.00 0.00 1.75 1.83 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.36 3.95 0.00 2.27 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 2.41 2.55 0.00 31 T 8.24 3.89 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 32 I 7.84 3.69 2.02 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 1.51 0.96 0.88 0.00 0.00 33 T 8.10 3.85 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 1.21 0.00 0.00 34 I 8.21 3.72 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.97 0.93 0.00 0.00 35 D 8.26 4.39 0.00 2.73 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 36 A 8.06 3.98 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 37 I 8.07 3.69 2.07 0.00 0.00 1.00 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 0.69 0.98 0.00 0.00 38 R 8.12 3.97 0.00 1.95 1.98 0.00 3.31 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.83 0.00 39 T 8.23 3.88 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 40 H 8.24 4.11 0.00 3.49 3.57 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 41 R 7.99 3.89 0.00 2.06 1.95 0.00 3.20 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 42 R 7.70 3.87 0.00 1.90 2.22 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 43 L 7.86 3.97 0.00 1.87 1.67 0.95 0.89 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 44 V 8.08 3.51 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 1.08 0.00 0.00 0.79 0.00 0.00 45 E 8.05 3.90 0.00 2.19 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 0.00 2.32 2.34 0.00 46 K 8.24 3.92 0.00 1.87 1.87 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.48 7.81 47 A 8.16 4.16 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 48 D 8.51 4.40 0.00 2.94 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 49 E 8.58 4.05 0.00 2.15 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 2.62 2.52 0.00 50 L 8.06 4.08 0.00 2.04 1.91 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.58 3.69 0.00 3.00 3.15 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 0.00 52 Q 8.12 3.95 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.73 2.58 0.00 53 A 7.52 4.17 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 54 L 6.75 3.90 0.00 1.29 1.31 0.37 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.34 0.00 2.30 1.97 0.00 3.16 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 1.91 1.98 0.00 56 E 8.89 3.95 0.00 1.95 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 2.30 0.00 57 T 7.99 3.83 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 1.20 0.00 0.00 58 Y 8.07 4.11 0.00 3.06 2.87 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 59 K 7.85 3.77 0.00 1.70 1.74 0.00 1.56 0.00 0.00 1.38 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.30 1.28 7.81 60 T 7.97 4.15 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 1.23 0.00 0.00 61 G 7.52 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 0.00 0.00 0.00 0.00 62 Q 7.38 3.98 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 63 A 7.71 4.45 0.54 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 0.00 0.00 64 C 7.91 4.20 0.00 3.15 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 65 G 8.86 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 66 G 8.56 4.06 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 0.00 0.00 0.00 67 P 0.00 4.22 0.00 2.17 2.11 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 68 Q 8.11 3.91 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 69 H 8.12 4.32 0.00 3.39 3.60 0.00 5.93 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 70 I 7.95 3.70 2.03 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 1.53 0.56 0.91 0.00 0.00 71 R 8.26 3.96 0.00 2.07 2.02 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 72 Y 8.15 4.19 0.00 3.16 3.29 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 73 I 7.88 3.27 1.95 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 0.84 0.00 0.00 74 E 8.57 3.89 0.00 1.93 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 2.30 2.48 0.00 75 A 7.72 3.94 1.36 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 76 S 7.67 4.03 0.00 3.41 3.74 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 0.00 0.00 0.00 0.00 77 I 7.96 3.90 1.97 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 1.37 0.57 0.89 0.00 0.00 78 E 8.09 4.09 0.00 2.00 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 2.29 2.33 0.00 *80 H 8.16 4.63 0.00 3.33 3.35 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.43 4.13 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 82 Q 8.15 4.47 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.34 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 *84 S 8.57 4.43 0.00 3.90 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 85 A 7.79 3.91 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 86 L 7.92 3.57 0.00 1.52 1.38 0.43 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 87 N 7.86 4.23 0.00 2.88 2.85 0.00 0.00 7.13 7.05 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 88 T 7.72 3.88 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 1.24 0.00 0.00 89 L 7.83 3.94 0.00 1.60 1.61 0.80 0.63 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 90 Y 7.81 4.28 0.00 3.13 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.22 4.21 0.00 4.04 3.93 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 0.00 0.00 0.00 0.00 92 I 7.54 3.78 2.01 0.00 0.00 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 1.51 0.64 0.91 0.00 0.00 93 L 7.94 4.15 0.00 1.49 1.20 0.56 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 94 G 10.51 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 0.00 0.00 0.00 95 F 7.15 5.06 0.00 3.06 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 96 I 8.50 3.77 1.63 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.14 0.39 0.00 0.00 97 P 0.00 5.06 0.00 2.00 2.09 0.00 3.67 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.80 0.00 98 K 8.82 4.36 0.00 1.75 1.74 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.52 7.81 99 V 8.54 4.11 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 0.88 0.00 0.00 0.98 0.00 0.00 *100 V 7.70 3.93 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 0.72 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.