NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 G 4.6229 8.3544 108.0697 47.0121 0.0000 172.5372 8 R 4.3082 8.1025 124.0631 53.9247 33.5602 168.5539 9 V 4.5368 8.1727 124.4589 61.3080 34.0558 174.2583 10 T 4.8606 8.2662 116.5325 58.7787 72.2233 174.3571 11 N 4.3721 8.5508 119.4119 56.2228 37.0084 177.4722 12 Q 4.0511 7.9807 119.8349 58.6845 29.0422 178.0949 13 L 4.1298 7.9316 119.9936 58.0017 41.6191 179.6643 14 Q 4.0842 8.3376 117.9344 59.0036 28.5695 178.1457 15 Y 4.0390 8.2416 120.4885 60.8878 38.2038 178.0495 16 L 3.9643 8.6854 120.1826 58.0495 41.4480 179.2206 17 H 4.2978 8.2388 117.2015 59.1553 30.1309 176.9363 18 K 4.1993 8.3041 118.0500 57.0590 32.7295 178.0186 19 V 4.0383 7.5823 117.6198 64.4235 32.5228 177.3774 20 V 3.6949 6.4298 112.0333 63.6194 31.2230 177.1223 *22 K 4.2299 8.1011 120.7891 56.4652 33.7580 177.6173 23 A 4.1182 7.9509 119.8590 55.3791 18.7418 178.7501 24 L 4.2571 8.3996 115.9671 57.8021 42.0060 179.4100 25 W 4.1301 8.6508 126.8311 60.5416 30.5200 176.8422 26 K 4.4114 7.9682 114.6222 57.6122 32.0746 176.9833 27 H 4.3082 8.2808 120.6162 55.7190 30.2807 176.1540 28 Q 4.1345 8.2123 123.1527 58.7403 28.5706 176.9391 29 F 5.1495 8.3779 115.2865 57.7726 39.4748 176.8280 30 A 4.3869 8.4336 125.1511 54.1193 18.3720 179.7859 31 W 4.3009 8.3772 115.4458 59.6720 27.6778 176.4243 32 P 3.9290 0.0000 0.0000 63.5850 30.6803 177.2370 33 F 4.6178 7.7742 114.8693 57.1907 40.1105 176.9700 34 R 3.5942 7.3156 116.4760 56.6782 30.0793 175.8547 35 Q 4.6926 6.9143 114.8247 53.2267 31.8820 172.6857 36 P 4.1841 0.0000 0.0000 62.5256 31.8374 176.7445 37 V 3.1754 8.0941 121.2968 63.2461 31.9094 175.8170 38 D 4.5590 8.2450 126.4807 52.8455 41.2229 176.3123 39 A 3.8821 8.1857 129.9189 54.9764 18.6859 178.5750 40 V 3.5274 7.7531 116.7653 65.7404 31.4630 177.5938 41 K 3.7841 8.2335 120.3237 59.3761 32.1654 177.7642 42 L 4.2360 7.6967 115.8136 54.7842 42.0788 176.6374 43 G 3.8066 8.0512 106.0534 46.8893 0.0000 174.2009 44 L 4.9174 8.0571 115.8494 52.3788 41.8086 176.2058 45 P 4.4673 0.0000 0.0000 64.4086 32.4709 177.5890 46 D 4.7622 8.0454 118.0262 53.6669 40.4156 177.4819 47 Y 3.5079 8.2467 122.3198 61.2765 38.5698 177.1310 48 H 4.5235 8.0511 112.9210 56.9529 29.0630 176.7160 49 K 4.2233 7.7656 120.4815 58.0355 32.2552 178.2495 50 I 4.3026 7.4911 118.4590 61.6005 38.0413 175.7076 51 I 4.0827 7.2613 121.8409 59.7793 37.0451 175.6752 52 K 4.2671 8.4428 125.1946 57.1461 32.7907 177.1618 53 Q 4.4150 7.5080 118.8544 52.8424 28.6758 172.2686 54 P 4.5456 0.0000 0.0000 61.8664 33.8175 177.4484 *56 D 4.4917 7.9459 118.1601 53.4493 40.2305 177.7285 *58 G 4.1448 8.7510 103.9205 45.9193 0.0000 174.2892 59 T 3.7729 8.2395 117.4412 66.3791 68.3880 176.7638 60 I 3.6922 7.5342 121.2489 64.1327 37.1049 178.3064 61 K 3.8273 8.0551 119.9739 59.6696 32.1504 178.5605 62 R 4.0082 8.2214 119.0747 59.4963 29.8699 178.6591 63 R 3.7814 8.1157 118.0483 59.1525 29.7246 179.0558 64 L 4.2001 7.9861 118.0335 57.8504 41.6969 179.0956 65 E 4.2123 8.2194 117.4795 58.2604 29.4466 177.9361 66 N 4.8015 7.7183 114.1446 51.8176 39.3101 174.2407 67 N 4.2871 8.1880 116.7053 54.4954 36.3579 176.1509 68 Y 3.9441 8.2598 121.0593 60.5492 39.5237 175.7574 69 Y 4.6463 7.6985 117.0480 57.3570 38.9449 175.9322 70 W 4.3726 9.5200 133.5449 58.7714 31.8316 176.3310 71 A 4.7779 8.0147 118.8380 49.8823 22.1108 176.2151 72 A 4.0495 8.8817 123.7137 55.3562 18.6705 180.3645 73 S 4.2430 8.2105 109.0685 61.5647 63.2696 175.5853 74 E 4.1867 8.3273 120.2712 59.5039 29.4841 179.1959 75 C 3.5999 7.4632 116.9805 59.5275 31.0535 175.2484 *77 Q 4.3706 8.2775 118.2118 55.6896 30.2804 177.3274 78 D 4.3646 7.9385 116.2107 57.4221 40.8417 178.5476 79 F 3.7134 7.8301 117.0226 60.4383 39.1638 176.8833 80 N 4.6940 8.1915 115.9303 56.9577 38.8028 177.8537 81 T 4.0580 8.0278 115.6372 64.0089 68.7586 176.1521 *83 F 4.6370 8.0471 121.3166 57.9861 41.1447 177.7201 84 T 4.0056 8.5395 117.4356 66.6347 68.1450 176.1127 85 N 4.2397 8.5154 118.9517 56.7197 38.6465 176.7695 86 C 4.1813 7.9730 118.9670 62.9348 31.3517 175.1076 87 Y 4.4547 7.3385 117.9851 61.1457 37.1986 178.7534 88 I 3.8608 8.1074 120.3853 64.4408 37.3644 177.6456 89 Y 4.1606 8.2406 119.4480 59.9591 38.9929 175.9832 90 N 4.5423 7.5476 115.2814 52.2619 39.8014 175.1460 91 K 4.2200 8.5199 119.4373 55.4897 32.7756 176.8226 92 P 4.2616 0.0000 0.0000 65.7429 31.2712 177.4428 93 T 4.3267 7.6603 105.0144 61.5991 69.6589 174.5840 94 D 4.5138 7.9355 124.3083 54.2159 41.6373 176.9213 95 D 4.3433 8.9051 123.4886 57.5372 41.1009 178.7388 96 I 3.5826 7.7507 117.7509 63.9365 38.3906 177.0212 97 V 3.9583 7.9044 119.7987 66.0662 31.6495 178.8926 98 L 4.2598 7.7432 116.8274 55.2234 40.9128 178.8846 *100 A 4.1059 8.1668 123.5288 52.4077 20.5976 179.9284 101 Q 4.0864 8.3400 116.1907 58.7908 28.5476 179.2974 102 T 3.8857 8.0308 116.5859 66.7667 68.5787 176.7331 103 L 3.9419 7.8266 120.3319 57.7617 41.7073 179.0905 104 E 3.2785 7.9335 119.5657 58.7335 29.3849 179.0236 105 K 3.9580 7.9700 118.7468 59.3046 32.1036 179.2555 106 I 3.6705 7.4589 120.1737 64.3511 37.0245 177.8905 107 F 4.0869 8.2632 121.3946 61.6398 39.1337 177.3070 108 L 3.5467 7.9499 118.1646 57.5402 41.1506 179.4116 109 Q 3.9394 7.8160 117.0166 59.1067 29.0179 178.9501 110 K 4.1878 8.5147 119.6801 59.4057 31.8228 179.6769 111 V 3.5680 7.5794 117.7029 65.7271 31.4363 177.6844 112 A 4.1983 7.8797 119.4593 52.8098 18.1917 177.1494 113 S 4.4018 7.3232 113.9934 55.9039 64.3805 172.0026 *115 P 4.0442 0.0000 0.0000 62.8054 31.9750 176.2881 116 Q 4.5310 8.4619 118.5791 56.0295 29.8661 176.7722 117 E 4.3306 7.9160 117.4021 54.9961 28.1976 175.8569 118 E 3.9395 7.5260 120.6784 55.8563 30.0444 175.1999 119 Q 4.5268 7.9117 121.2947 53.0737 31.8479 175.0236 120 E 4.6750 8.6586 120.6620 57.0412 30.1172 176.4017 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 7 G 8.35 4.62 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 0.00 0.00 0.00 8 R 8.10 4.31 0.00 1.37 1.46 0.00 2.21 0.00 0.00 2.58 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.59 0.00 9 V 8.17 4.54 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 0.90 0.00 0.00 0.96 0.00 0.00 10 T 8.27 4.86 4.29 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 1.07 0.00 0.00 11 N 8.55 4.37 0.00 3.01 3.12 0.00 0.00 7.43 7.04 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 12 Q 7.98 4.05 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 13 L 7.93 4.13 0.00 1.77 1.83 1.04 0.99 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 14 Q 8.34 4.08 0.00 2.44 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 15 Y 8.24 4.04 0.00 3.16 3.17 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 0.00 0.00 0.00 0.00 16 L 8.69 3.96 0.00 1.96 1.91 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.24 4.30 0.00 3.34 3.50 0.00 5.74 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.30 4.20 0.00 1.87 1.80 0.00 1.46 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.31 7.81 19 V 7.58 4.04 1.25 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 0.72 0.00 0.00 0.87 0.00 0.00 20 V 6.43 3.69 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 0.79 0.00 0.00 0.62 0.00 0.00 *22 K 8.10 4.23 0.00 1.90 1.83 0.00 1.92 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.43 7.81 23 A 7.95 4.12 1.40 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 0.00 0.00 0.00 24 L 8.40 4.26 0.00 1.99 1.91 1.14 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 25 W 8.65 4.13 0.00 3.54 3.34 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 26 K 7.97 4.41 0.00 1.88 1.95 0.00 1.97 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.64 1.71 7.81 27 H 8.28 4.31 0.00 3.41 3.30 0.00 5.59 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.21 4.13 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 29 F 8.38 5.15 0.00 3.10 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 30 A 8.43 4.39 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 31 W 8.38 4.30 0.00 3.61 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 32 P 0.00 3.93 0.00 0.49 1.11 0.00 3.24 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.44 0.00 33 F 7.77 4.62 0.00 2.90 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 34 R 7.32 3.59 0.00 1.56 1.38 0.00 2.85 0.00 0.00 2.53 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.26 0.00 35 Q 6.91 4.69 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 36 P 0.00 4.18 0.00 2.01 2.01 0.00 3.66 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 2.00 2.25 0.00 37 V 8.09 3.18 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 -0.32 0.00 0.00 0.55 0.00 0.00 38 D 8.25 4.56 0.00 2.66 2.47 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 0.00 39 A 8.19 3.88 1.37 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 0.00 0.00 40 V 7.75 3.53 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 1.01 0.00 0.00 0.92 0.00 0.00 41 K 8.23 3.78 0.00 1.74 1.82 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.43 7.81 42 L 7.70 4.24 0.00 1.75 1.62 0.73 0.72 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 43 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 44 L 8.06 4.92 0.00 1.79 1.55 1.03 0.70 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 45 P 0.00 4.47 0.00 2.21 2.20 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 46 D 8.05 4.76 0.00 2.94 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 47 Y 8.25 3.51 0.00 2.73 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 48 H 8.05 4.52 0.00 3.20 3.33 0.00 5.74 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.77 4.22 0.00 1.86 1.87 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.60 7.81 50 I 7.49 4.30 1.93 0.00 0.00 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 1.67 0.57 0.95 0.00 0.00 51 I 7.26 4.08 1.00 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 0.63 -0.02 0.78 0.00 0.00 52 K 8.44 4.27 0.00 1.72 1.84 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.34 7.81 53 Q 7.51 4.42 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.01 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 54 P 0.00 4.55 0.00 2.12 2.12 0.00 3.78 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 2.11 2.19 0.00 *56 D 7.95 4.49 0.00 3.02 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 0.00 0.00 0.00 0.00 *58 G 8.75 4.14 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 0.00 0.00 0.00 59 T 8.24 3.77 4.32 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 1.07 0.00 0.00 60 I 7.53 3.69 1.56 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.52 0.56 0.00 0.00 61 K 8.06 3.83 0.00 1.83 1.92 0.00 1.30 0.00 0.00 1.05 0.00 0.00 2.13 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.41 1.35 7.81 62 R 8.22 4.01 0.00 1.86 2.09 0.00 3.11 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 63 R 8.12 3.78 0.00 1.83 1.27 0.00 2.86 0.00 0.00 2.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.39 0.00 64 L 7.99 4.20 0.00 1.68 1.69 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.22 4.21 0.00 2.06 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 2.41 2.39 0.00 66 N 7.72 4.80 0.00 2.76 2.83 0.00 0.00 7.03 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.19 4.29 0.00 2.93 2.90 0.00 0.00 6.70 7.48 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 68 Y 8.26 3.94 0.00 2.69 2.74 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 69 Y 7.70 4.65 0.00 3.19 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 70 W 9.52 4.37 0.00 3.36 3.27 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 0.00 0.00 0.00 71 A 8.01 4.78 1.40 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 0.00 0.00 0.00 72 A 8.88 4.05 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 73 S 8.21 4.24 0.00 4.05 4.08 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 74 E 8.33 4.19 0.00 2.42 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 2.45 2.39 0.00 75 C 7.46 3.60 0.00 1.72 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 *77 Q 8.28 4.37 0.00 2.43 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.66 0.00 0.00 0.00 0.00 0.00 2.69 2.42 0.00 78 D 7.94 4.36 0.00 2.77 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 79 F 7.83 3.71 0.00 2.58 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 0.00 0.00 0.00 0.00 80 N 8.19 4.69 0.00 3.01 3.09 0.00 0.00 7.14 7.22 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 81 T 8.03 4.06 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 1.23 0.00 0.00 *83 F 8.05 4.64 0.00 3.19 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 84 T 8.54 4.01 4.36 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 1.33 0.00 0.00 85 N 8.52 4.24 0.00 2.70 2.94 0.00 0.00 6.69 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 C 7.97 4.18 0.00 3.13 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 87 Y 7.34 4.45 0.00 3.27 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 I 8.11 3.86 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 1.48 0.68 0.94 0.00 0.00 89 Y 8.24 4.16 0.00 2.81 3.18 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 0.00 90 N 7.55 4.54 0.00 2.99 2.94 0.00 0.00 7.16 6.95 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 91 K 8.52 4.22 0.00 1.81 1.69 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.32 7.81 92 P 0.00 4.26 0.00 2.02 2.13 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 93 T 7.66 4.33 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 1.20 0.00 0.00 94 D 7.94 4.51 0.00 2.90 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 95 D 8.91 4.34 0.00 2.66 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 96 I 7.75 3.58 1.72 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.64 0.92 0.00 0.00 97 V 7.90 3.96 2.33 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 1.03 0.00 0.00 1.10 0.00 0.00 98 L 7.74 4.26 0.00 1.76 1.62 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 *100 A 8.17 4.11 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 0.00 101 Q 8.34 4.09 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.61 0.00 102 T 8.03 3.89 4.54 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 1.33 0.00 0.00 103 L 7.83 3.94 0.00 1.78 1.82 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 104 E 7.93 3.28 0.00 1.16 1.63 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 2.21 2.14 0.00 105 K 7.97 3.96 0.00 1.83 1.82 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.78 7.81 106 I 7.46 3.67 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 0.95 0.00 0.00 107 F 8.26 4.09 0.00 3.10 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 0.00 108 L 7.95 3.55 0.00 1.81 1.59 0.92 0.66 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 0.00 109 Q 7.82 3.94 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 110 K 8.51 4.19 0.00 1.77 1.86 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.54 7.81 111 V 7.58 3.57 1.75 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 0.65 0.00 0.00 0.36 0.00 0.00 112 A 7.88 4.20 1.33 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 0.00 0.00 0.00 113 S 7.32 4.40 0.00 3.88 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 *115 P 0.00 4.04 0.00 2.09 1.95 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 116 Q 8.46 4.53 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.51 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 117 E 7.92 4.33 0.00 1.92 1.89 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 2.22 2.24 0.00 118 E 7.53 3.94 0.00 1.92 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 2.30 2.36 0.00 119 Q 7.91 4.53 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.03 0.00 0.00 0.00 0.00 0.00 2.50 2.32 0.00 120 E 8.66 4.67 0.00 1.96 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 0.00 2.01 1.99 0.00 * Residues marked with a * may have inaccurate shift predictions.