NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3508 8.3349 115.4137 58.5672 64.4042 173.6305 2 N 4.3939 8.6105 123.8087 54.4222 37.5069 171.3343 3 V 4.4267 8.0164 121.1602 59.8359 33.3361 171.4197 4 P 4.1349 0.0000 0.0000 62.1152 32.0138 177.4750 5 A 4.1105 8.6462 125.6995 55.2493 18.4668 178.7908 6 E 4.1376 7.9772 111.9066 58.4684 30.2415 177.0834 7 L 4.2821 7.1551 118.2448 54.4332 42.6382 176.6425 8 K 4.8157 8.5671 120.1548 55.6174 34.7120 175.4175 9 Y 4.9994 9.0960 119.5779 56.4356 42.3257 174.4931 10 S 5.0512 9.0142 118.0761 56.1393 64.9013 174.8197 11 K 3.8816 8.9609 124.0414 60.1734 31.9834 177.4044 12 E 4.5057 8.0545 116.7846 56.2761 29.9772 175.6196 13 H 4.3381 8.2342 112.0328 57.5416 26.0876 173.6176 14 E 5.1026 7.8218 117.6624 54.2012 34.3711 176.3233 15 W 5.0559 8.2675 117.5622 54.6712 31.6800 174.4682 16 L 5.2477 8.8397 121.1790 53.0394 44.8126 175.2919 17 R 4.9064 8.9437 124.3543 54.0313 32.5671 174.6757 18 K 3.5323 8.8431 128.4810 56.4524 32.8991 175.8074 19 E 4.4539 8.6908 127.0185 54.1028 31.7638 177.8319 20 A 4.1805 8.4400 123.3628 52.7684 17.8451 177.6544 21 D 4.7267 8.2100 116.0329 54.2105 40.2030 176.4055 22 G 3.9833 8.3535 110.5643 46.1081 0.0000 174.4622 23 T 4.3759 7.3666 109.1040 61.3078 71.2321 173.0900 24 Y 5.2186 9.0447 120.2226 55.5500 40.8212 175.4855 25 T 4.2264 8.4389 121.2418 63.3130 69.8547 173.5637 26 V 4.1101 8.1158 127.6569 60.3152 34.5169 174.9563 27 G 3.6462 6.1374 111.8621 45.6267 0.0000 171.4313 28 I 5.1069 8.2084 113.0326 59.1567 40.2840 175.6914 29 T 4.4329 8.3166 113.6419 60.7881 70.1519 175.3617 30 E 3.8666 8.7482 122.5480 59.9335 29.5891 178.3092 31 H 4.1106 8.6981 117.2820 59.6126 29.8292 176.6873 32 A 4.0138 8.1413 122.4115 55.1638 18.2573 179.5755 33 Q 3.9585 8.4904 116.6392 59.1990 28.3458 178.2844 34 E 3.8906 8.1748 120.6238 59.3623 29.7832 178.7094 35 L 4.1015 7.4911 117.0277 57.5445 41.6799 178.9879 36 L 4.0972 7.6091 119.9107 56.1696 42.3273 177.8332 37 G 3.8346 8.0117 105.5611 44.0888 0.0000 172.1034 38 D 4.5034 8.5036 117.2112 55.2337 40.9942 176.3954 39 M 4.6096 9.4743 124.8161 55.1742 32.6753 176.5698 40 V 4.4969 8.3515 114.9563 61.2791 34.4202 175.6630 41 F 4.9517 7.7726 121.0141 57.0617 42.7623 172.6442 42 V 4.2187 7.6317 124.7489 61.0871 34.1248 174.9469 43 D 4.2876 8.8874 129.7006 52.2173 40.4785 175.5300 44 L 4.3019 7.9279 123.7433 53.7782 42.7937 174.6490 45 P 4.5777 0.0000 0.0000 61.7425 33.5254 175.2905 46 E 4.1205 8.3666 119.4785 55.3708 29.7757 176.9623 47 V 3.7706 8.2343 124.3711 64.3893 32.0936 175.2665 48 G 4.0954 9.7402 116.4728 45.4240 0.0000 173.9427 49 A 4.2494 7.6062 120.3046 52.3144 19.6705 176.6105 50 T 5.0044 8.3140 115.8521 62.1324 71.0677 174.5782 51 V 4.5889 8.4794 117.1881 60.0348 36.7098 174.5130 52 S 4.8039 8.7653 118.5315 56.5401 64.4884 173.5825 53 A 4.1073 8.0795 126.0181 54.0129 18.2846 178.4728 54 G 4.0149 9.6248 112.3808 45.4139 0.0000 173.6863 55 D 4.5050 8.2375 120.1063 54.3577 41.3434 175.2315 56 D 4.5302 8.4337 121.3420 52.9807 40.5733 175.2593 57 C 4.7813 7.8852 118.5331 57.3944 30.8610 173.2015 58 A 4.4974 7.2566 119.8221 51.7043 22.3865 175.3216 59 V 4.7193 8.0901 117.7728 61.3081 35.6756 173.4975 60 A 4.9568 8.9263 128.7412 50.0725 21.8600 174.5490 61 E 5.1142 9.3763 122.9523 54.6897 32.3450 176.3832 62 S 5.1733 8.8488 120.0803 55.3064 65.7269 175.1582 63 V 3.3909 8.3055 114.7131 64.2569 30.9657 174.7925 *65 A 4.0790 7.7326 120.9228 51.8145 19.4846 175.2168 66 A 5.3228 8.3861 120.5191 50.3203 21.0347 176.4353 67 S 4.7364 9.2781 117.4413 56.1391 66.1767 173.5723 68 D 4.7120 8.8533 123.3325 54.6111 41.6380 175.5375 69 I 4.5169 8.2836 122.9901 59.7387 39.9380 174.0828 70 Y 5.1079 8.2767 122.6076 55.6416 40.3309 175.6153 71 A 4.2905 8.9289 126.2229 52.2022 18.8234 176.7408 72 P 3.8787 0.0000 0.0000 64.4478 32.1844 176.1404 73 V 4.5234 7.3011 110.2326 59.6319 35.9483 174.4377 74 S 4.7701 10.2406 118.3205 57.0904 64.4065 175.5947 75 G 3.8315 6.8259 108.6660 46.0251 0.0000 170.1619 76 E 5.0727 7.8926 121.3328 54.2792 32.9624 176.4919 77 I 4.6115 8.5331 128.1256 61.6686 37.6280 176.7352 78 V 3.9736 8.5065 119.7391 61.6014 33.0832 175.9363 79 A 4.8652 7.7761 120.8654 50.9252 22.4579 175.4731 80 V 4.9640 8.3504 112.1382 59.1047 36.3970 176.3649 81 N 3.8510 8.4200 121.5780 52.4574 38.0258 175.4566 82 D 4.3998 8.2207 127.5027 56.1312 41.2366 177.2102 83 A 4.2133 7.8355 119.8896 53.1661 18.3231 178.2453 84 L 4.2078 7.5040 116.8200 55.7741 42.1003 178.1610 85 S 4.2942 7.8000 115.0283 60.6191 63.0470 174.7567 86 D 4.8020 8.0367 118.1089 54.7544 43.2964 176.6109 87 S 5.1269 8.0902 113.3179 55.2812 63.1670 173.4939 88 P 4.3210 0.0000 0.0000 65.2809 31.5234 177.8321 89 E 3.9901 8.3564 117.3379 59.2860 28.9999 178.9010 90 L 4.3546 7.8533 121.5958 57.1648 41.3566 179.1768 91 V 3.4292 7.3288 117.6618 66.1084 31.3651 177.6868 92 N 4.9831 8.1047 116.2111 55.7630 39.0381 177.1313 93 S 4.4230 8.2578 115.3701 59.9965 64.5429 173.9936 94 E 5.0993 8.9243 121.9823 54.3788 29.9535 174.8919 95 P 4.5139 0.0000 0.0000 65.4233 31.9606 177.3245 96 Y 3.7670 7.6082 113.5047 57.3854 40.2488 174.8940 97 A 4.7331 7.7841 121.6159 52.0284 18.5873 179.5988 98 G 3.8299 7.7919 113.5843 49.3671 0.0000 174.8625 99 G 3.8825 8.6289 107.4883 45.3060 0.0000 173.8797 100 W 4.6835 8.1472 117.2975 57.1834 28.8569 175.3857 101 I 4.3412 9.0130 119.4493 62.5504 39.3118 175.5186 102 F 5.8173 7.9598 114.3808 55.7723 41.8956 172.9868 103 K 4.9354 9.6296 118.5871 54.6547 35.5088 175.4071 104 I 5.0845 9.0803 123.2703 59.2165 42.3459 173.7506 105 K 4.7591 8.8410 129.6438 54.6084 33.4978 175.2532 106 A 4.7663 8.9072 130.3573 51.3354 19.3217 177.4451 107 S 4.6303 8.2184 117.3953 57.5222 63.4540 175.1886 108 D 4.3586 7.5316 115.1660 53.8742 43.5331 174.3147 109 E 4.0009 8.3018 129.5651 59.0412 29.6136 178.4432 110 S 4.3068 7.9845 113.3336 61.3431 63.3621 175.6886 111 E 4.0496 7.6394 122.3368 59.4337 29.1209 179.0771 112 L 3.8297 7.5337 118.2574 58.3849 41.5541 179.7839 113 E 3.9158 7.9886 116.7626 58.7390 29.4554 178.4876 114 S 4.3918 7.9040 111.6890 58.3888 63.1099 173.9942 115 L 4.0686 6.6782 120.3887 55.4729 42.3646 177.1627 116 L 4.5092 9.1648 122.8398 54.4224 43.2506 176.7578 117 D 4.9711 8.7682 122.5684 52.7128 41.2840 176.8076 118 A 3.8036 9.1276 120.2431 55.8283 18.2331 179.5469 119 T 3.7572 8.0527 106.8089 65.3489 68.6432 176.0409 120 A 4.0357 8.1692 122.9685 54.5496 18.3097 179.0682 121 Y 4.0031 8.0147 118.4412 60.8984 38.9643 177.7751 122 E 3.9191 8.3276 119.2275 58.9254 29.3439 179.4150 123 A 3.8857 7.6339 120.8285 55.0987 18.2731 179.4671 124 L 3.8063 7.5841 118.4001 57.9236 41.8311 179.1327 125 L 3.6350 7.2299 118.5636 57.7575 41.7118 179.1825 126 E 4.0360 7.7521 115.5034 58.7437 29.6008 177.9151 127 D 4.4902 7.7792 119.1378 56.9870 41.2741 176.1576 128 E 4.2535 7.4172 121.2686 56.3718 29.8104 175.7507 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 S 8.33 4.35 0.00 3.97 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 2 N 8.61 4.39 0.00 3.02 3.06 0.00 0.00 6.89 6.79 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 3 V 8.02 4.43 2.24 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 0.48 0.00 0.00 1.06 0.00 0.00 4 P 0.00 4.13 0.00 1.85 1.68 0.00 3.14 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.52 0.00 5 A 8.65 4.11 1.27 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 0.00 0.00 6 E 7.98 4.14 0.00 2.07 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 2.21 2.21 0.00 7 L 7.16 4.28 0.00 1.10 1.36 0.27 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.57 4.82 0.00 1.63 1.68 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.59 7.81 9 Y 9.10 5.00 0.00 2.93 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.01 5.05 0.00 3.84 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 11 K 8.96 3.88 0.00 1.90 1.98 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.51 7.81 12 E 8.05 4.51 0.00 2.07 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 2.14 2.28 0.00 13 H 8.23 4.34 0.00 3.57 3.71 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.82 5.10 0.00 1.81 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 2.28 2.32 0.00 15 W 8.27 5.06 0.00 3.03 2.89 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 16 L 8.84 5.25 0.00 1.51 1.63 0.58 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.94 4.91 0.00 2.01 1.93 0.00 3.02 0.00 0.00 2.99 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 18 K 8.84 3.53 0.00 1.66 1.61 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.22 0.99 7.81 19 E 8.69 4.45 0.00 1.94 1.69 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 2.18 2.21 0.00 20 A 8.44 4.18 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 21 D 8.21 4.73 0.00 2.65 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 22 G 8.35 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 0.00 0.00 0.00 23 T 7.37 4.38 4.41 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 1.30 0.00 0.00 24 Y 9.04 5.22 0.00 2.78 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 25 T 8.44 4.23 4.30 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 1.01 0.00 0.00 26 V 8.12 4.11 0.67 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 0.85 0.00 0.00 0.39 0.00 0.00 27 G 6.14 3.65 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 0.00 0.00 0.00 28 I 8.21 5.11 1.94 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 0.77 0.92 0.00 0.00 29 T 8.32 4.43 4.66 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 0.00 0.00 0.00 1.39 0.00 0.00 30 E 8.75 3.87 0.00 2.26 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 0.00 2.45 2.50 0.00 31 H 8.70 4.11 0.00 3.45 3.61 0.00 5.92 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 32 A 8.14 4.01 1.52 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 33 Q 8.49 3.96 0.00 2.32 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.65 0.00 34 E 8.17 3.89 0.00 2.29 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 2.50 2.53 0.00 35 L 7.49 4.10 0.00 1.77 1.68 0.86 0.83 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 36 L 7.61 4.10 0.00 1.86 1.85 0.93 1.13 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 37 G 8.01 3.83 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 0.00 0.00 0.00 38 D 8.50 4.50 0.00 2.72 2.66 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 0.00 0.00 0.00 0.00 39 M 9.47 4.61 0.00 1.94 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.81 0.00 40 V 8.35 4.50 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 0.67 0.00 0.00 1.00 0.00 0.00 41 F 7.77 4.95 0.00 3.01 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 42 V 7.63 4.22 1.81 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 0.63 0.00 0.00 0.79 0.00 0.00 43 D 8.89 4.29 0.00 2.40 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 0.00 0.00 0.00 0.00 44 L 7.93 4.30 0.00 1.46 1.49 0.86 1.00 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 45 P 0.00 4.58 0.00 1.79 1.88 0.00 3.59 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.14 0.00 46 E 8.37 4.12 0.00 1.97 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 2.34 2.20 0.00 47 V 8.23 3.77 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 0.84 0.00 0.00 0.97 0.00 0.00 48 G 9.74 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.61 4.25 1.29 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 0.00 0.00 50 T 8.31 5.00 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 1.27 0.00 0.00 51 V 8.48 4.59 2.07 0.00 0.00 0.00 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 0.94 0.00 0.00 52 S 8.77 4.80 0.00 4.00 3.78 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 53 A 8.08 4.11 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 G 9.62 4.01 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 0.00 0.00 0.00 55 D 8.24 4.51 0.00 2.94 2.60 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 56 D 8.43 4.53 0.00 2.62 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 57 C 7.89 4.78 0.00 2.79 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 58 A 7.26 4.50 1.01 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 0.00 0.00 59 V 8.09 4.72 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 0.88 0.00 0.00 0.92 0.00 0.00 60 A 8.93 4.96 1.15 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 0.00 0.00 61 E 9.38 5.11 0.00 2.12 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 2.42 0.00 62 S 8.85 5.17 0.00 3.82 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 63 V 8.31 3.39 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 0.80 0.00 0.00 0.94 0.00 0.00 *65 A 7.73 4.08 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 66 A 8.39 5.32 1.27 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 0.00 0.00 67 S 9.28 4.74 0.00 3.84 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 68 D 8.85 4.71 0.00 2.32 2.24 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 69 I 8.28 4.52 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.10 1.04 0.00 0.00 70 Y 8.28 5.11 0.00 2.90 2.93 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 71 A 8.93 4.29 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 72 P 0.00 3.88 0.00 2.14 2.29 0.00 3.89 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 73 V 7.30 4.52 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 0.58 0.00 0.00 0.87 0.00 0.00 74 S 10.24 4.77 0.00 3.97 3.78 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 75 G 6.83 3.83 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 0.00 0.00 0.00 76 E 7.89 5.07 0.00 2.08 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 2.21 2.36 0.00 77 I 8.53 4.61 2.05 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.93 1.02 0.00 0.00 78 V 8.51 3.97 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 0.76 0.00 0.00 0.96 0.00 0.00 79 A 7.78 4.87 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 80 V 8.35 4.96 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 0.84 0.00 0.00 0.98 0.00 0.00 81 N 8.42 3.85 0.00 1.44 1.92 0.00 0.00 7.50 8.08 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 82 D 8.22 4.40 0.00 2.78 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 83 A 7.84 4.21 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 84 L 7.50 4.21 0.00 1.57 1.59 0.78 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.80 4.29 0.00 4.07 3.94 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 0.00 0.00 0.00 86 D 8.04 4.80 0.00 2.62 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 87 S 8.09 5.13 0.00 4.08 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 88 P 0.00 4.32 0.00 2.25 2.37 0.00 3.81 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 89 E 8.36 3.99 0.00 2.18 2.28 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 2.37 2.37 0.00 90 L 7.85 4.35 0.00 1.70 1.76 0.89 0.91 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 91 V 7.33 3.43 2.18 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 0.82 0.00 0.00 0.93 0.00 0.00 92 N 8.10 4.98 0.00 2.85 2.90 0.00 0.00 7.31 7.57 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 93 S 8.26 4.42 0.00 4.07 4.12 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 94 E 8.92 5.10 0.00 2.08 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 2.25 0.00 95 P 0.00 4.51 0.00 1.89 2.27 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.86 0.00 96 Y 7.61 3.77 0.00 2.79 2.40 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 97 A 7.78 4.73 1.16 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 0.00 0.00 98 G 7.79 3.83 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 0.00 0.00 0.00 99 G 8.63 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 0.00 0.00 0.00 100 W 8.15 4.68 0.00 3.60 3.54 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 0.00 101 I 9.01 4.34 2.09 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 1.23 0.85 1.00 0.00 0.00 102 F 7.96 5.82 0.00 3.29 3.05 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 0.00 103 K 9.63 4.94 0.00 1.69 1.63 0.00 1.38 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.93 0.97 7.81 104 I 9.08 5.08 2.08 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 1.21 1.72 0.93 0.00 0.00 105 K 8.84 4.76 0.00 1.90 1.70 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.41 7.81 106 A 8.91 4.77 1.29 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 0.00 0.00 107 S 8.22 4.63 0.00 3.94 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 0.00 108 D 7.53 4.36 0.00 2.71 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 0.00 109 E 8.30 4.00 0.00 2.05 1.93 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 2.40 2.33 0.00 110 S 7.98 4.31 0.00 4.06 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 0.00 111 E 7.64 4.05 0.00 2.34 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 2.32 2.49 0.00 112 L 7.53 3.83 0.00 1.89 1.74 1.03 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.99 3.92 0.00 2.10 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 2.36 2.64 0.00 114 S 7.90 4.39 0.00 3.86 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 0.00 115 L 6.68 4.07 0.00 1.66 1.62 0.71 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 116 L 9.16 4.51 0.00 1.89 1.70 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.77 4.97 0.00 2.79 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 0.00 118 A 9.13 3.80 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.05 3.76 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 1.21 0.00 0.00 120 A 8.17 4.04 1.47 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 0.00 0.00 121 Y 8.01 4.00 0.00 2.74 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 0.00 122 E 8.33 3.92 0.00 2.13 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 2.26 2.50 0.00 123 A 7.63 3.89 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 0.00 124 L 7.58 3.81 0.00 1.72 1.42 0.89 0.44 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 0.00 125 L 7.23 3.64 0.00 1.59 1.52 0.81 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.75 4.04 0.00 2.12 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 2.40 2.27 0.00 127 D 7.78 4.49 0.00 2.73 2.94 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 0.00 0.00 0.00 128 E 7.42 4.25 0.00 1.87 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 2.23 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.