NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4868 8.3193 115.4195 58.3377 64.3219 173.1568 1 L 4.5385 8.3617 121.1294 54.8612 42.2061 173.8276 2 I 5.1462 8.5475 121.2095 59.6554 41.3589 175.4092 3 R 4.7628 9.2542 127.8963 54.3079 34.1582 174.1838 4 I 4.9180 8.2839 121.6142 59.4496 41.2626 174.2921 5 G 4.5423 9.0133 113.9923 45.3542 0.0000 170.8150 6 H 5.5446 8.6889 119.2112 54.5353 33.3458 172.5458 7 G 4.3295 8.9436 110.1026 44.8485 0.0000 171.2458 8 F 5.5323 8.5193 122.7478 56.7278 42.5425 172.9549 9 D 4.5834 8.4584 124.4370 52.5730 45.1139 173.9169 10 V 4.5828 7.9328 121.8509 61.2474 35.2208 173.9561 11 H 4.7425 9.0189 126.0378 54.2475 32.4916 171.9239 12 A 4.4136 8.0507 127.7578 50.6131 19.8271 176.7749 13 F 4.6595 8.2232 121.6457 57.8149 39.6161 175.1999 14 G 4.5150 8.7141 108.4552 44.8839 0.0000 171.3110 15 E 5.0186 9.2551 118.2968 54.5361 33.4340 174.1111 16 D 5.7763 8.6657 119.9435 53.0214 44.0098 175.7811 17 R 4.8470 8.6806 116.3446 54.4340 33.1552 172.2645 18 P 4.9250 0.0000 0.0000 62.4959 32.7274 175.2537 19 L 4.8468 8.8929 121.7054 53.0738 46.0635 175.4813 20 I 4.7210 8.3809 123.2425 59.9224 38.7415 175.3563 21 I 4.4249 8.6745 128.7071 60.2942 39.9560 176.1032 22 G 3.8156 9.6073 114.4778 46.7645 0.0000 174.2487 23 G 3.9041 8.5560 105.1119 45.2299 0.0000 174.2450 24 V 4.3935 7.4142 118.7510 60.5140 34.2561 173.7086 25 E 4.9447 8.6453 126.7795 55.4601 30.5414 175.6135 26 V 4.7094 9.2778 120.7155 58.7350 35.5186 173.2833 27 P 4.9159 0.0000 0.0000 62.8285 32.6607 174.7590 28 Y 4.6739 9.1273 123.7069 56.1261 41.6298 173.3118 29 H 5.3247 8.3314 126.3376 54.9011 31.7822 173.6563 30 T 4.3782 9.2411 122.8375 63.0912 71.1719 174.8569 31 G 3.8418 8.7538 111.8982 43.9195 0.0000 172.3138 32 F 3.9253 8.4543 120.1407 58.3377 39.6883 174.8824 33 I 3.8613 7.1636 128.0738 60.2852 37.2642 175.5108 34 A 4.5852 8.3349 128.8127 52.1010 19.3512 176.3902 35 H 5.0218 8.2930 118.0623 55.0189 29.8466 173.4376 36 S 4.6678 7.6041 112.5531 57.9176 64.9146 174.5959 37 D 4.4148 8.5923 118.7321 53.9226 39.1992 177.3546 38 G 3.5741 8.1059 108.1976 46.4635 0.0000 174.7707 39 D 4.4397 8.4473 120.8645 53.6259 40.0134 176.7870 40 V 3.8295 8.2588 128.3480 63.6391 31.6405 178.1352 41 A 3.9171 7.8849 121.0457 55.1251 18.3131 179.4943 42 L 3.9930 7.9292 117.1292 57.9436 41.5822 179.4750 43 H 4.2198 8.1177 116.1100 58.8639 28.6740 177.6479 44 A 3.9449 7.9554 122.5525 55.0858 18.2189 179.4169 45 L 3.8981 7.9179 118.8389 58.4642 42.0427 179.3424 46 T 3.8694 8.2754 116.0460 66.8476 68.4066 176.2847 47 D 4.3211 8.3049 120.6130 57.3800 40.8431 178.8361 48 A 4.1091 8.1810 121.2549 55.1625 18.3362 179.8616 49 I 3.6877 7.8907 118.3263 64.5045 37.1583 178.6966 50 L 4.1727 8.2912 120.3324 57.5970 41.4304 179.7496 51 G 3.5891 8.6959 105.8961 47.8670 0.0000 175.6268 52 A 4.7305 8.1758 123.1893 53.7088 18.4204 178.5480 53 A 4.0845 7.3022 114.9803 50.9150 19.4295 176.6955 54 A 3.6475 7.6831 119.2825 53.6652 16.5121 178.2322 55 L 4.6279 8.3648 117.1248 55.8649 43.3954 177.8517 56 G 3.9563 9.7168 113.1915 45.0129 0.0000 176.6921 57 D 4.4592 8.5891 127.3867 52.0593 41.2963 175.3333 58 I 3.5522 9.1828 119.2437 64.3850 37.7411 177.2050 59 G 3.9907 8.3527 107.0504 45.7984 0.0000 173.8591 60 K 4.5821 7.9281 115.6597 55.8022 33.7663 177.7418 61 L 3.9124 7.4117 119.2389 56.4730 41.8243 178.1620 62 F 5.0884 7.2872 122.7254 55.1385 38.7544 174.5086 63 P 4.5138 0.0000 0.0000 62.6203 31.1614 177.8926 *71 N 4.8542 8.1917 118.0046 54.5582 41.2705 174.8447 72 A 4.2296 7.9627 120.5270 54.4540 19.6327 176.5640 73 D 4.8365 7.9339 117.1576 54.2125 41.5954 177.1385 74 S 4.3785 9.1598 124.2040 61.6094 62.7202 176.9277 75 R 4.1043 8.2022 120.7958 59.0449 29.8042 179.0542 76 G 3.7038 8.8315 106.0598 47.7581 0.0000 175.8489 77 L 3.9958 7.6506 120.0517 57.3780 41.6864 179.1578 78 L 3.9622 8.3286 120.7194 58.4754 41.9223 179.3805 79 R 4.0841 8.2844 117.9546 59.1136 29.9826 178.6683 80 E 3.9562 8.3572 119.0737 59.2457 29.6408 178.7529 81 A 3.9688 8.3044 121.1541 55.0793 18.3949 179.4352 82 F 4.1565 8.4003 119.2058 61.4796 39.4077 177.5563 83 R 3.7348 8.3838 118.0141 59.4383 29.3690 179.1198 84 Q 3.9369 8.1838 117.7676 58.8174 28.6025 178.8318 85 V 3.7764 7.6598 119.1260 65.4245 31.4114 178.2932 86 Q 4.0394 7.6132 119.6145 58.3841 28.3622 177.9933 87 E 3.5317 8.0883 118.5974 59.2510 29.5730 178.8329 88 K 4.3292 7.4587 114.5923 56.4105 32.6178 177.4953 89 G 3.7362 8.9648 109.5161 45.4373 0.0000 172.4466 90 Y 5.3619 8.0643 116.6806 55.7777 41.5696 174.6987 91 K 4.9515 8.9187 119.7150 55.1881 37.0913 174.9577 92 I 4.1959 8.6016 121.2311 61.3548 37.2426 176.3620 93 G 3.9515 9.2165 116.5299 47.1267 0.0000 173.0818 94 N 4.9626 7.4602 115.5266 51.5605 40.5505 172.9599 95 V 4.9580 8.6717 112.7195 59.8144 36.6824 174.2168 96 D 5.1550 8.8839 121.7656 52.8123 44.5842 174.0232 97 I 4.9053 9.0186 126.7777 59.9029 40.6181 174.8990 98 T 4.8559 8.9340 123.1499 61.5503 70.8569 172.6457 99 I 4.1918 8.9691 128.6452 61.0664 38.7136 175.2842 100 I 4.9147 8.8844 128.5694 59.9167 38.6229 174.4262 101 A 4.8242 8.5899 127.9782 49.7466 22.3129 176.4451 102 Q 4.2182 8.3509 123.2610 55.5025 28.1951 175.0181 103 A 4.9886 7.3157 120.7679 49.5802 24.4116 174.8321 104 P 4.3792 0.0000 0.0000 64.1039 29.7397 180.2866 105 K 4.0311 9.0744 113.9321 54.2350 33.0130 178.5173 *107 R 4.4333 8.5123 122.8230 55.1358 31.6908 175.6711 108 P 4.3110 0.0000 0.0000 64.8119 31.0728 176.4199 109 H 4.8057 7.9312 113.4441 55.4929 29.9450 176.3966 110 I 3.7490 7.6085 120.8344 64.6252 37.2486 177.4002 111 D 4.4285 8.1454 119.1693 57.2557 40.8930 178.7364 112 A 4.2708 7.6523 119.5183 52.6767 17.9156 179.4132 *114 R 4.1914 8.1997 119.9068 57.8492 32.2979 177.9698 115 A 3.9696 8.1473 119.4188 55.2620 18.2196 179.9051 116 K 3.9078 7.8166 116.8427 59.5960 32.0863 179.7451 117 I 3.6390 7.6971 119.3941 64.2302 37.0998 178.0899 118 A 3.8988 8.3739 122.0404 55.1257 17.6717 179.2234 119 E 3.8124 8.3442 117.9405 59.6832 29.5062 178.8469 120 D 4.4462 8.1564 117.7234 56.2157 40.9215 177.6631 121 L 3.4618 7.5219 117.2107 52.6807 42.4376 176.1907 122 Q 3.2346 7.2708 116.1466 57.0978 26.8446 172.1767 123 C 4.8418 7.5734 110.4803 56.3619 33.3533 172.7934 124 D 4.6452 8.7739 118.5453 53.3002 41.9010 177.1971 125 I 3.7625 8.1179 122.9070 63.5207 38.1791 177.1528 126 E 4.1596 8.4498 119.6046 57.8792 29.6739 176.7800 127 Q 4.4348 8.0966 116.8117 56.0539 29.1761 174.5015 128 V 4.7415 7.5033 118.5132 60.9834 33.8189 174.2244 129 N 5.1100 8.9235 126.2745 51.7388 41.9879 173.0779 130 V 5.0484 8.3941 124.6508 61.0542 34.7225 174.3125 131 K 4.8818 9.2638 125.3754 55.3097 36.6258 174.7319 132 A 5.2269 8.4487 121.3260 50.6970 22.2408 175.0280 133 T 4.8156 9.2263 115.6353 60.8830 71.8833 172.0657 134 T 4.9336 8.4167 113.4497 59.7089 72.2974 173.6207 135 T 4.3214 8.2849 109.0046 60.7465 69.5007 174.5701 136 E 3.9514 8.8650 118.9248 58.2248 27.2024 175.4332 137 K 4.1372 8.5846 112.1610 56.6215 31.1370 176.4452 138 L 4.4982 7.6672 119.4789 53.8999 43.6256 177.7463 139 G 4.1886 8.4832 111.1018 44.6570 0.0000 174.3017 140 F 4.3688 8.4975 113.3294 60.2899 37.4247 177.5466 141 T 4.5127 6.4378 111.2655 63.9946 68.6309 176.8783 142 G 3.6012 7.8185 108.3426 47.2330 0.0000 174.9529 143 R 4.4252 8.1195 117.5694 55.3431 30.5194 176.2387 144 Q 3.8239 7.9934 116.8276 57.2709 26.8624 174.4849 145 E 4.3686 8.7008 118.4757 57.3826 30.3881 176.6536 146 G 3.0270 6.8855 105.9218 44.8755 0.0000 171.3955 147 I 4.9513 7.3224 111.2984 59.0730 41.3840 174.1640 148 A 5.1570 8.6531 123.7068 51.0163 23.4804 174.2039 149 C 5.0637 8.3330 116.7153 58.5482 35.5237 172.2608 150 E 5.3864 9.0862 125.6785 54.5796 32.6479 174.3664 151 A 5.2258 9.1272 126.4549 50.6246 23.3343 175.3822 152 V 5.0364 8.6692 112.5952 59.5891 35.9417 174.7908 153 A 5.0799 9.2029 124.6239 50.1614 23.0589 174.6133 154 L 5.0265 8.8705 123.0053 53.3082 44.6977 175.2734 155 L 5.1887 9.0553 126.3105 53.1971 44.7832 175.5326 156 I 5.1931 8.4823 121.7517 59.2174 41.1541 174.9984 157 R 4.2026 9.3491 127.9114 56.4982 30.6189 176.1526 158 Q 4.2395 8.7981 127.1319 56.3573 28.6913 175.2494 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 0 S 8.32 4.49 0.00 4.06 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 1 L 8.36 4.54 0.00 1.87 1.92 0.95 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.55 5.15 1.92 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 1.37 1.11 0.94 0.00 0.00 3 R 9.25 4.76 0.00 1.38 1.68 0.00 3.36 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.40 0.00 4 I 8.28 4.92 1.86 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 1.28 1.48 0.90 0.00 0.00 5 G 9.01 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 0.00 0.00 0.00 0.00 6 H 8.69 5.54 0.00 3.13 3.11 0.00 5.69 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 7 G 8.94 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 0.00 0.00 0.00 0.00 8 F 8.52 5.53 0.00 2.97 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 9 D 8.46 4.58 0.00 2.59 2.39 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 10 V 7.93 4.58 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 0.58 0.00 0.00 0.70 0.00 0.00 11 H 9.02 4.74 0.00 3.16 3.01 0.00 5.82 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 12 A 8.05 4.41 0.96 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 13 F 8.22 4.66 0.00 3.00 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 14 G 8.71 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.26 5.02 0.00 1.97 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 2.20 2.43 0.00 16 D 8.67 5.78 0.00 2.59 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 17 R 8.68 4.85 0.00 1.89 2.05 0.00 2.81 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 18 P 0.00 4.93 0.00 2.11 2.10 0.00 3.72 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 1.98 2.00 0.00 19 L 8.89 4.85 0.00 1.71 1.52 0.68 0.46 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 20 I 8.38 4.72 1.86 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 1.34 0.54 0.91 0.00 0.00 21 I 8.67 4.42 1.88 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 1.23 1.22 0.92 0.00 0.00 22 G 9.61 3.82 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 0.00 0.00 0.00 23 G 8.56 3.90 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 0.00 0.00 0.00 24 V 7.41 4.39 2.22 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 0.95 0.00 0.00 0.93 0.00 0.00 25 E 8.65 4.94 0.00 2.02 1.84 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 2.27 2.48 0.00 26 V 9.28 4.71 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 0.71 0.00 0.00 1.04 0.00 0.00 27 P 0.00 4.92 0.00 2.10 2.07 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 28 Y 9.13 4.67 0.00 3.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.33 5.32 0.00 3.06 3.00 0.00 5.93 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 9.24 4.38 4.34 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 1.31 0.00 0.00 31 G 8.75 3.84 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 0.00 0.00 0.00 32 F 8.45 3.93 0.00 2.98 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 33 I 7.16 3.86 1.45 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.43 0.66 0.00 0.00 34 A 8.33 4.59 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 35 H 8.29 5.02 0.00 3.18 3.27 0.00 5.74 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 36 S 7.60 4.67 0.00 4.14 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 37 D 8.59 4.41 0.00 2.82 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 38 G 8.11 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.44 0.00 2.73 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 40 V 8.26 3.83 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 0.84 0.00 0.00 0.82 0.00 0.00 41 A 7.88 3.92 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 42 L 7.93 3.99 0.00 1.65 1.72 0.95 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.12 4.22 0.00 3.15 3.36 0.00 5.64 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 44 A 7.96 3.94 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 45 L 7.92 3.90 0.00 1.89 1.85 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.28 3.87 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 1.19 0.00 0.00 47 D 8.30 4.32 0.00 2.83 2.72 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 48 A 8.18 4.11 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 49 I 7.89 3.69 2.01 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 1.55 1.24 0.97 0.00 0.00 50 L 8.29 4.17 0.00 1.70 1.68 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.70 3.59 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 0.00 0.00 0.00 52 A 8.18 4.73 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 53 A 7.30 4.08 1.19 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 0.00 0.00 54 A 7.68 3.65 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 55 L 8.36 4.63 0.00 1.71 1.65 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.72 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 57 D 8.59 4.46 0.00 3.06 2.76 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 58 I 9.18 3.55 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.12 0.89 0.00 0.00 59 G 8.35 3.99 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 0.00 60 K 7.93 4.58 0.00 1.79 1.72 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.36 7.81 61 L 7.41 3.91 0.00 1.21 0.69 0.71 0.52 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 62 F 7.29 5.09 0.00 3.04 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 63 P 0.00 4.51 0.00 2.20 2.16 0.00 3.96 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 *71 N 8.19 4.85 0.00 2.81 2.98 0.00 0.00 7.17 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 72 A 7.96 4.23 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 73 D 7.93 4.84 0.00 2.71 2.61 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 0.00 0.00 0.00 0.00 74 S 9.16 4.38 0.00 3.91 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 75 R 8.20 4.10 0.00 2.06 2.09 0.00 3.13 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 76 G 8.83 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 77 L 7.65 4.00 0.00 1.96 1.70 0.97 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.33 3.96 0.00 1.83 1.88 0.94 0.85 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 79 R 8.28 4.08 0.00 2.13 2.06 0.00 3.24 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 80 E 8.36 3.96 0.00 2.31 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 1.79 2.19 0.00 81 A 8.30 3.97 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 82 F 8.40 4.16 0.00 3.10 3.25 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 0.00 83 R 8.38 3.73 0.00 2.06 1.96 0.00 3.23 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.00 0.00 84 Q 8.18 3.94 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 85 V 7.66 3.78 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 1.13 0.00 0.00 0.97 0.00 0.00 86 Q 7.61 4.04 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.50 0.00 0.00 0.00 0.00 0.00 2.05 1.16 0.00 87 E 8.09 3.53 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 2.46 2.49 0.00 88 K 7.46 4.33 0.00 2.05 1.97 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.40 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.49 1.47 7.81 89 G 8.96 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 0.00 0.00 0.00 90 Y 8.06 5.36 0.00 3.07 2.80 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 91 K 8.92 4.95 0.00 1.97 2.15 0.00 1.38 0.00 0.00 1.90 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.49 7.81 92 I 8.60 4.20 1.90 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.48 0.95 0.00 0.00 93 G 9.22 3.95 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 0.00 0.00 0.00 94 N 7.46 4.96 0.00 2.85 2.87 0.00 0.00 5.79 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 95 V 8.67 4.96 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 0.76 0.00 0.00 0.92 0.00 0.00 96 D 8.88 5.15 0.00 2.72 2.45 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 0.00 97 I 9.02 4.91 1.87 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 1.22 0.53 0.91 0.00 0.00 98 T 8.93 4.86 4.27 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 1.23 0.00 0.00 99 I 8.97 4.19 1.88 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 1.22 0.62 0.92 0.00 0.00 100 I 8.88 4.91 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.03 0.87 0.00 0.00 101 A 8.59 4.82 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 0.00 102 Q 8.35 4.22 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 103 A 7.32 4.99 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 0.00 104 P 0.00 4.38 0.00 2.20 1.64 0.00 3.79 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 1.99 1.96 0.00 105 K 9.07 4.03 0.00 1.80 1.64 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 0.99 7.81 *107 R 8.51 4.43 0.00 1.86 1.99 0.00 3.15 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 108 P 0.00 4.31 0.00 1.87 2.01 0.00 3.69 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 1.99 2.07 0.00 109 H 7.93 4.81 0.00 3.17 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.61 3.75 1.98 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 1.32 0.74 0.95 0.00 0.00 111 D 8.15 4.43 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 0.00 112 A 7.65 4.27 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 *114 R 8.20 4.19 0.00 2.05 2.02 0.00 3.14 0.00 0.00 3.50 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 115 A 8.15 3.97 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 0.00 116 K 7.82 3.91 0.00 1.75 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.67 7.81 117 I 7.70 3.64 1.97 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 1.55 0.59 0.87 0.00 0.00 118 A 8.37 3.90 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.34 3.81 0.00 2.22 2.06 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 2.28 2.48 0.00 120 D 8.16 4.45 0.00 2.74 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 0.00 121 L 7.52 3.46 0.00 1.36 1.27 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 7.27 3.23 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.04 0.00 123 C 7.57 4.84 0.00 3.26 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 0.00 124 D 8.77 4.65 0.00 2.76 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 0.00 125 I 8.12 3.76 1.86 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 1.29 1.08 0.90 0.00 0.00 126 E 8.45 4.16 0.00 2.07 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 2.32 2.42 0.00 127 Q 8.10 4.43 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.52 0.00 0.00 0.00 0.00 0.00 2.45 2.27 0.00 128 V 7.50 4.74 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 0.73 0.00 0.00 0.90 0.00 0.00 129 N 8.92 5.11 0.00 2.87 2.75 0.00 0.00 6.14 7.72 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 0.00 130 V 8.39 5.05 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 0.90 0.00 0.00 0.93 0.00 0.00 131 K 9.26 4.88 0.00 1.79 1.83 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.55 1.38 7.81 132 A 8.45 5.23 1.20 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 0.00 0.00 133 T 9.23 4.82 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 0.00 134 T 8.42 4.93 4.39 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 1.25 0.00 0.00 135 T 8.28 4.32 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 1.10 0.00 0.00 136 E 8.86 3.95 0.00 2.09 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 2.25 2.24 0.00 137 K 8.58 4.14 0.00 1.89 1.94 0.00 1.53 0.00 0.00 1.56 0.00 0.00 3.12 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.41 7.81 138 L 7.67 4.50 0.00 1.76 1.53 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.48 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 0.00 0.00 0.00 140 F 8.50 4.37 0.00 3.33 3.33 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 0.00 141 T 6.44 4.51 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 0.83 0.00 0.00 142 G 7.82 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 0.00 0.00 0.00 143 R 8.12 4.43 0.00 1.86 2.03 0.00 3.36 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 144 Q 7.99 3.82 0.00 2.32 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 145 E 8.70 4.37 0.00 2.24 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 2.37 2.35 0.00 146 G 6.89 3.03 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 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.32 4.95 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.02 1.04 0.00 0.00 148 A 8.65 5.16 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 0.00 0.00 0.00 0.00 0.00 0.00 149 C 8.33 5.06 0.00 2.95 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 0.00 150 E 9.09 5.39 0.00 2.23 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 2.28 2.52 0.00 151 A 9.13 5.23 1.17 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 0.00 0.00 152 V 8.67 5.04 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 0.94 0.00 0.00 153 A 9.20 5.08 1.17 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 0.00 0.00 154 L 8.87 5.03 0.00 1.75 1.62 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 155 L 9.06 5.19 0.00 1.29 1.43 0.58 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.48 5.19 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.95 1.00 0.00 0.00 157 R 9.35 4.20 0.00 1.78 1.81 0.00 2.69 0.00 0.00 2.80 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 158 Q 8.80 4.24 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.32 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.