NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.6242 0.0000 0.0000 62.4586 33.4276 174.8480 2 I 4.2708 8.5688 122.5575 60.7125 38.5654 170.0645 3 V 4.5869 9.1069 121.6147 59.7183 37.1830 173.3855 4 Q 4.8999 8.4298 123.2046 54.8813 30.6889 175.4838 5 N 4.9252 9.0379 125.1818 51.5313 39.2258 175.4704 6 L 3.9592 8.2859 118.9025 58.0925 42.1499 177.6275 7 Q 4.1091 8.1316 115.1616 56.2712 28.9100 176.6234 8 G 4.0638 8.2733 106.5985 45.2757 0.0000 173.6060 9 Q 4.3365 8.1981 118.8936 55.4206 30.4439 175.0581 10 M 4.9307 8.4881 122.4678 54.7056 32.8874 175.8517 11 V 4.5831 8.7685 116.5829 59.8204 37.0748 173.7967 12 H 5.0717 8.7291 121.6810 55.4424 30.7745 173.7719 13 Q 4.6166 8.7676 127.0161 53.7140 30.6378 175.1730 14 A 4.0446 8.5787 129.0696 52.0560 19.0663 177.0314 15 I 3.7300 8.1654 122.0442 61.0376 38.9868 175.9017 16 S 4.4918 8.3923 120.8786 57.0403 64.3190 173.3153 17 P 4.3040 0.0000 0.0000 65.8463 30.9891 179.0313 18 R 3.9329 7.8949 116.4084 59.6569 29.9945 179.1505 19 T 3.8967 7.7920 114.8816 66.5424 68.5069 176.5369 20 L 4.1439 7.9342 120.7804 58.0236 41.7037 179.3600 21 N 4.3743 8.5550 116.4430 56.2648 38.4563 177.3137 22 A 4.0969 8.4332 122.5719 54.8068 18.4425 179.5855 23 W 4.4019 8.4542 126.8945 60.8327 30.8675 178.5249 24 V 3.1558 7.8757 118.2569 65.4799 30.8956 177.7583 25 K 3.8108 8.4546 120.1554 59.4823 31.9657 179.1163 26 V 3.5447 7.6552 119.3583 64.7756 31.3678 178.4579 27 V 2.8137 7.0753 118.9102 65.3320 30.9592 177.9634 28 E 3.8351 7.9826 117.5652 59.4350 29.4473 178.8507 29 E 4.0502 8.3083 117.8137 58.8332 29.8792 178.7785 30 K 4.1652 8.3584 116.9958 55.2372 33.2461 176.1867 31 A 3.6083 8.2279 121.2003 53.7275 16.6336 176.4727 32 F 3.8695 7.3890 112.0940 58.6830 37.3515 176.7256 33 S 4.5766 7.6831 113.7296 57.1831 63.9242 173.1607 34 P 4.3775 0.0000 0.0000 65.6873 30.3332 178.5915 35 E 4.1304 7.9998 116.8192 59.0735 29.2703 179.5156 36 V 3.8576 7.9774 112.8234 64.3046 31.4680 178.2567 37 I 3.8639 7.9270 120.2313 63.9257 36.9597 176.6175 38 P 4.3575 0.0000 0.0000 66.0671 31.0570 178.0945 39 M 4.0498 7.9387 117.3507 58.3495 31.9561 177.7540 40 F 3.8078 8.7017 120.2038 61.5053 39.6813 176.9428 41 S 4.0100 8.1830 114.3393 61.4958 62.3942 176.6179 42 A 3.9477 7.9284 122.4672 55.0380 18.2746 179.1540 43 L 4.1846 7.8905 115.2991 55.7831 42.0352 177.8217 44 S 4.4325 6.9435 113.9170 57.4234 63.2247 173.5331 45 E 3.9564 8.0930 120.4733 58.5974 29.5541 177.5014 46 G 3.8135 8.9567 110.4295 45.5225 0.0000 173.0587 47 A 4.3797 7.7936 123.7196 52.1488 19.1087 177.9140 48 T 4.6437 8.8528 112.8290 60.1995 71.6078 174.4068 49 P 4.5223 0.0000 0.0000 65.9161 31.2561 178.6502 50 Q 3.9777 8.5722 118.3066 59.3623 28.9149 178.0529 51 D 4.4057 8.0226 119.6768 57.5936 40.8030 178.9928 52 L 3.9367 8.0541 119.2944 57.8364 41.5133 179.3762 53 N 4.4756 8.6521 116.7427 56.6155 38.2612 177.5924 54 T 3.9460 7.8333 116.2934 66.7828 68.8396 176.2867 55 M 4.3418 8.3075 120.6830 58.6362 32.1878 178.9067 56 L 4.3985 8.3290 119.3042 57.9596 41.6182 179.1979 57 N 4.6325 8.5742 115.6840 55.5877 38.5533 176.7128 58 T 4.4381 7.7445 109.6430 62.0649 69.3137 174.7933 59 V 3.7854 7.6273 122.1540 62.3941 31.1171 175.2583 60 G 4.0485 8.5222 116.5340 45.0140 0.0000 174.6176 61 G 3.6831 8.4062 108.7501 46.5068 0.0000 172.8705 62 H 4.1894 8.5771 111.5699 56.1728 26.9301 176.7195 63 Q 3.9907 8.3874 120.3611 59.4191 28.9410 176.8845 64 A 3.9811 8.0711 120.8472 55.1568 18.4229 179.3141 65 A 3.7543 7.9952 118.6985 55.6383 18.4450 179.6785 66 M 4.0329 8.4931 117.6622 58.4366 31.8953 178.8090 67 Q 3.9499 8.4767 120.2761 59.2873 29.1296 177.9826 68 M 3.9541 8.0925 119.3101 58.3847 32.1961 177.9004 69 L 3.8722 8.0638 120.7058 58.0739 42.2129 178.8228 70 K 3.9463 8.3346 119.8347 59.5508 32.0821 178.3063 71 E 3.9013 8.4764 119.7882 59.5311 29.4519 178.9161 72 T 3.8031 8.2045 116.0920 66.5932 68.4702 176.5537 73 I 3.7608 7.9849 121.8477 64.5342 37.1860 177.8462 74 N 4.2489 8.3492 117.8774 56.8058 38.6419 176.7272 75 E 3.8554 8.2283 119.8717 59.4602 29.4769 179.2087 76 E 3.4317 8.0680 118.6217 58.9083 29.2504 179.2563 77 A 3.6030 7.6309 120.9943 54.9112 18.3922 179.5600 78 A 3.9314 7.9631 119.3488 55.2625 18.5661 179.5077 79 E 3.8290 8.2775 118.0501 58.9069 29.6637 178.6873 80 W 4.1997 8.4436 128.8378 60.8290 30.3709 177.6996 81 D 4.4677 8.4493 118.6965 57.3831 39.9958 178.7553 82 R 3.9186 8.0228 118.5231 59.0225 30.1869 177.8303 83 L 4.2820 7.5211 115.9370 54.9971 43.3748 176.6448 84 H 4.7096 7.4416 115.3547 53.2807 28.8899 171.6954 85 P 4.5735 0.0000 0.0000 64.2983 32.0830 177.4789 *96 V 4.0520 6.9054 110.8915 62.0985 32.5079 175.2800 97 G 4.0417 8.7152 107.1524 45.5783 0.0000 172.3449 98 E 4.7315 8.2086 117.1467 53.4452 32.4371 174.7443 99 P 4.0064 0.0000 0.0000 62.1469 32.3350 176.7818 100 R 4.5729 8.8613 119.6772 55.2293 32.3710 178.1385 101 G 3.7841 9.7703 107.5138 48.3002 0.0000 176.2494 102 S 4.2126 8.0444 115.8575 61.0883 63.1471 176.2318 103 D 4.3815 7.7669 122.3678 57.1821 40.4383 178.4554 104 I 3.2701 7.0507 119.1665 63.9415 37.0992 177.6806 105 A 2.5800 7.5705 118.5055 51.4678 18.3314 178.1407 106 G 3.9227 7.2956 105.1292 45.7546 0.0000 175.1907 107 T 4.1144 7.8942 111.9036 63.4359 69.0990 175.6240 108 T 4.5945 7.9191 108.8245 60.7434 69.5898 173.3165 109 S 5.0802 7.8280 116.5429 56.7498 66.0625 173.3687 110 T 4.3723 8.5851 112.9931 60.2166 71.5945 175.6399 111 L 3.8523 8.2450 122.6657 58.6061 41.9581 179.1135 112 Q 3.8674 7.8873 117.2401 58.9244 28.6339 178.3946 113 E 3.2335 8.0188 119.5798 59.1782 29.3572 179.5383 114 Q 4.1489 7.7916 117.8734 59.1508 28.9105 178.8517 115 I 3.8146 8.0211 121.2890 64.0986 36.7192 178.7788 116 G 3.4106 7.8619 106.6168 47.6409 0.0000 175.8188 117 W 4.4398 7.8536 122.0566 59.7626 28.8496 178.6361 118 M 4.1828 8.3316 117.7403 57.4452 31.4395 177.7648 119 T 4.4936 7.3546 107.1750 60.7599 70.0400 174.1281 120 H 4.3402 7.3917 122.0419 56.3206 30.5728 173.8575 121 N 4.9491 7.9609 120.6466 50.6845 39.2906 173.0222 122 P 4.6116 0.0000 0.0000 61.2214 32.5817 174.5672 123 P 4.7596 0.0000 0.0000 62.0468 32.1197 176.1631 124 I 4.3986 8.3761 121.3867 58.9961 38.1327 175.3029 125 P 4.6164 0.0000 0.0000 62.0161 28.5404 176.8236 126 V 3.3957 7.8215 119.6985 64.7776 31.8375 177.9443 127 G 3.8819 7.8558 106.6536 47.3758 0.0000 175.5391 128 E 3.9445 7.9825 120.6970 58.9270 29.5540 179.3549 129 I 3.4533 7.8181 120.2370 64.4204 37.0391 177.8206 130 Y 3.6503 7.6721 120.5749 60.4417 38.5193 178.0669 131 K 3.9050 8.2676 119.8135 59.5742 32.0737 179.1381 132 R 3.9657 7.9066 118.7255 59.2981 30.0350 178.6407 133 W 4.4163 8.1988 118.7491 59.9289 29.0933 178.6167 134 I 3.6564 8.1534 120.0991 64.4278 36.4389 178.5822 135 I 3.6707 8.1847 121.0553 64.2289 36.9186 178.3335 136 L 4.1144 8.3812 120.3134 57.8344 41.4521 179.9014 137 G 3.5497 8.1404 105.4745 47.7795 0.0000 175.7163 138 L 3.9668 8.3034 122.0181 57.5624 41.5404 179.3765 139 N 4.3481 8.5547 116.7971 56.2028 38.4800 177.5486 140 K 3.8856 7.8148 119.3376 59.4458 32.1427 179.4404 141 I 3.1110 7.4639 119.9104 64.0788 36.7213 178.5242 142 V 3.8385 7.7726 119.1606 65.6938 31.4449 178.0173 143 R 4.0593 8.0338 116.5989 59.3048 29.8893 178.5148 144 M 4.1987 7.7970 117.4270 57.8488 33.6736 177.3089 145 Y 4.7810 8.0645 118.1827 56.8428 34.8631 175.6370 146 S 4.3450 7.7525 117.3430 58.3197 62.8821 173.3029 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 P 0.00 4.62 0.00 2.07 2.35 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 1.89 1.91 0.00 2 I 8.57 4.27 1.87 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 1.07 0.95 0.00 0.00 3 V 9.11 4.59 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 0.62 0.00 0.00 0.90 0.00 0.00 4 Q 8.43 4.90 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 5 N 9.04 4.93 0.00 2.93 2.95 0.00 0.00 6.19 6.46 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 6 L 8.29 3.96 0.00 1.60 1.73 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.13 4.11 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.77 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 8 G 8.27 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 9 Q 8.20 4.34 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 10 M 8.49 4.93 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 11 V 8.77 4.58 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 0.70 0.00 0.00 0.92 0.00 0.00 12 H 8.73 5.07 0.00 3.13 3.17 0.00 5.69 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 13 Q 8.77 4.62 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.57 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 14 A 8.58 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 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.17 3.73 1.88 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 1.30 0.83 0.93 0.00 0.00 16 S 8.39 4.49 0.00 3.91 3.69 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 0.00 0.00 0.00 17 P 0.00 4.30 0.00 2.20 2.11 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 18 R 7.89 3.93 0.00 1.88 1.99 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 19 T 7.79 3.90 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 1.23 0.00 0.00 20 L 7.93 4.14 0.00 1.93 1.81 0.97 0.77 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 21 N 8.55 4.37 0.00 2.74 2.88 0.00 0.00 6.96 8.44 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 22 A 8.43 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 23 W 8.45 4.40 0.00 3.40 3.30 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 24 V 7.88 3.16 2.04 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 0.87 0.00 0.00 0.96 0.00 0.00 25 K 8.45 3.81 0.00 1.87 1.99 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.42 7.81 26 V 7.66 3.54 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 0.74 0.00 0.00 0.93 0.00 0.00 27 V 7.08 2.81 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 0.17 0.00 0.00 -0.60 0.00 0.00 28 E 7.98 3.84 0.00 1.88 1.91 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 2.37 2.42 0.00 29 E 8.31 4.05 0.00 1.94 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 2.30 2.36 0.00 30 K 8.36 4.17 0.00 1.95 1.79 0.00 1.65 0.00 0.00 1.60 0.00 0.00 3.15 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.56 7.81 31 A 8.23 3.61 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 32 F 7.39 3.87 0.00 3.51 3.12 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 33 S 7.68 4.58 0.00 4.07 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 0.00 34 P 0.00 4.38 0.00 2.21 2.20 0.00 3.64 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 2.15 2.23 0.00 35 E 8.00 4.13 0.00 2.04 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 2.36 2.38 0.00 36 V 7.98 3.86 2.23 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 0.61 0.00 0.00 1.20 0.00 0.00 37 I 7.93 3.86 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.88 0.98 0.00 0.00 38 P 0.00 4.36 0.00 2.30 2.35 0.00 3.95 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.07 0.00 39 M 7.94 4.05 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.72 0.00 40 F 8.70 3.81 0.00 2.91 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 41 S 8.18 4.01 0.00 4.08 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 42 A 7.93 3.95 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 43 L 7.89 4.18 0.00 1.41 1.62 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 44 S 6.94 4.43 0.00 3.43 3.14 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 45 E 8.09 3.96 0.00 1.90 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 2.24 2.42 0.00 46 G 8.96 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 47 A 7.79 4.38 1.18 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 0.00 0.00 48 T 8.85 4.64 4.44 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 0.00 0.00 0.00 1.24 0.00 0.00 49 P 0.00 4.52 0.00 2.27 2.20 0.00 3.81 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 2.08 2.14 0.00 50 Q 8.57 3.98 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 51 D 8.02 4.41 0.00 2.94 2.69 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 0.00 0.00 0.00 52 L 8.05 3.94 0.00 1.94 1.54 0.90 0.42 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 53 N 8.65 4.48 0.00 2.95 2.97 0.00 0.00 7.02 7.77 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 54 T 7.83 3.95 4.43 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 1.26 0.00 0.00 55 M 8.31 4.34 0.00 1.80 2.19 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.53 0.00 56 L 8.33 4.40 0.00 1.79 1.86 0.87 0.99 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 57 N 8.57 4.63 0.00 2.83 2.95 0.00 0.00 7.09 7.13 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 58 T 7.74 4.44 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 nan 0.00 0.00 59 V 7.63 3.79 2.32 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 0.85 0.00 0.00 0.93 0.00 0.00 60 G 8.52 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 61 G 8.41 3.68 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 0.00 0.00 0.00 62 H 8.58 4.19 0.00 3.49 3.57 0.00 5.64 0.00 0.00 0.00 0.00 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.39 3.99 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 64 A 8.07 3.98 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 65 A 8.00 3.75 1.08 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 0.00 0.00 66 M 8.49 4.03 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.99 0.00 67 Q 8.48 3.95 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 68 M 8.09 3.95 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 69 L 8.06 3.87 0.00 1.81 1.84 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.33 3.95 0.00 2.01 1.98 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.51 7.81 71 E 8.48 3.90 0.00 2.05 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 2.27 2.33 0.00 72 T 8.20 3.80 4.37 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 1.20 0.00 0.00 73 I 7.98 3.76 2.17 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 1.79 0.86 1.25 0.00 0.00 74 N 8.35 4.25 0.00 2.90 2.94 0.00 0.00 7.29 8.16 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 75 E 8.23 3.86 0.00 2.09 1.87 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 2.27 2.52 0.00 76 E 8.07 3.43 0.00 1.16 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 0.00 0.00 0.00 2.18 2.10 0.00 77 A 7.63 3.60 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 78 A 7.96 3.93 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 79 E 8.28 3.83 0.00 2.00 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 2.28 2.36 0.00 80 W 8.44 4.20 0.00 3.78 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 81 D 8.45 4.47 0.00 2.96 2.75 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 82 R 8.02 3.92 0.00 1.77 2.09 0.00 3.22 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 83 L 7.52 4.28 0.00 1.37 1.41 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 84 H 7.44 4.71 0.00 2.80 3.00 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.57 0.00 2.19 2.27 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.89 0.00 *96 V 6.91 4.05 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 1.01 0.00 0.00 0.92 0.00 0.00 97 G 8.72 4.04 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 0.00 0.00 0.00 98 E 8.21 4.73 0.00 2.16 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 2.31 2.40 0.00 99 P 0.00 4.01 0.00 1.23 0.49 0.00 3.48 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.99 0.00 100 R 8.86 4.57 0.00 1.89 1.94 0.00 3.34 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.82 0.00 101 G 9.77 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 0.00 0.00 0.00 102 S 8.04 4.21 0.00 4.06 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 0.00 103 D 7.77 4.38 0.00 2.61 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.05 3.27 1.44 0.00 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.27 -0.46 0.00 0.00 105 A 7.57 2.58 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 0.00 106 G 7.30 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 0.00 0.00 0.00 107 T 7.89 4.11 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 1.21 0.00 0.00 108 T 7.92 4.59 4.28 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 1.23 0.00 0.00 109 S 7.83 5.08 0.00 4.19 4.45 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 0.00 110 T 8.59 4.37 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 1.17 0.00 0.00 111 L 8.25 3.85 0.00 1.87 1.62 0.67 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.89 3.87 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 113 E 8.02 3.23 0.00 1.78 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 0.00 0.00 0.00 1.84 2.07 0.00 114 Q 7.79 4.15 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 115 I 8.02 3.81 1.79 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 1.44 1.14 0.88 0.00 0.00 116 G 7.86 3.41 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 0.00 117 W 7.85 4.44 0.00 3.59 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 0.00 118 M 8.33 4.18 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.57 0.00 119 T 7.35 4.49 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 1.24 0.00 0.00 120 H 7.39 4.34 0.00 3.49 3.51 0.00 5.53 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.96 4.95 0.00 2.64 2.71 0.00 0.00 6.98 8.02 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 0.00 122 P 0.00 4.61 0.00 2.24 2.09 0.00 3.90 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 123 P 0.00 4.76 0.00 2.25 2.22 0.00 3.36 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 124 I 8.38 4.40 1.84 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 1.44 0.75 0.83 0.00 0.00 125 P 0.00 4.62 0.00 2.23 2.21 0.00 3.72 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 126 V 7.82 3.40 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 0.58 0.00 0.00 1.04 0.00 0.00 127 G 7.86 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 0.00 128 E 7.98 3.94 0.00 2.08 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 2.36 2.31 0.00 129 I 7.82 3.45 1.24 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.67 0.15 0.00 0.00 130 Y 7.67 3.65 0.00 2.70 2.75 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 0.00 131 K 8.27 3.90 0.00 2.02 1.88 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.41 1.38 7.81 132 R 7.91 3.97 0.00 2.05 2.15 0.00 3.18 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 133 W 8.20 4.42 0.00 3.74 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 0.00 134 I 8.15 3.66 1.73 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.16 0.16 0.00 0.00 135 I 8.18 3.67 1.97 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 1.59 0.69 0.95 0.00 0.00 136 L 8.38 4.11 0.00 1.91 1.74 1.02 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.14 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 0.00 138 L 8.30 3.97 0.00 1.76 1.77 0.55 0.94 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 0.00 139 N 8.55 4.35 0.00 2.92 2.86 0.00 0.00 7.03 7.25 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 0.00 140 K 7.81 3.89 0.00 1.88 1.76 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.64 7.81 141 I 7.46 3.11 1.59 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 -0.48 0.00 0.00 142 V 7.77 3.84 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 1.04 0.00 0.00 1.17 0.00 0.00 143 R 8.03 4.06 0.00 1.82 1.97 0.00 3.20 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 144 M 7.80 4.20 0.00 1.82 2.06 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 145 Y 8.06 4.78 0.00 2.91 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 0.00 146 S 7.75 4.34 0.00 4.02 3.80 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 * Residues marked with a * may have inaccurate shift predictions.