NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2455 8.3027 121.4690 55.5498 31.4902 177.1167 3 N 4.0803 8.8840 118.1092 56.1870 39.8252 174.2718 4 Q 4.0861 8.2948 117.8034 59.0717 30.1676 178.5210 5 K 4.0048 7.4957 118.0031 56.5135 31.3415 178.0641 *7 Q 4.2273 8.0781 116.6871 54.8162 30.6303 175.5324 8 E 3.9949 7.6702 119.5207 55.1624 30.0210 174.8698 9 P 4.3596 0.0000 0.0000 62.5752 32.0536 175.3678 10 L 4.4832 8.1130 121.3155 53.1282 44.2406 175.8909 11 V 3.9417 7.8490 124.9363 60.6777 34.0194 174.4733 12 Y 4.3386 8.1763 124.9589 58.2354 38.3466 175.8777 13 R 4.3537 9.2170 122.8595 57.1901 31.4344 177.0348 14 R 4.7148 8.6970 117.5702 55.0523 34.4939 174.0623 15 I 4.8824 9.0423 125.8706 59.3625 40.0224 174.4801 16 L 4.9328 8.9201 129.2947 53.2594 44.4037 174.5364 17 L 4.9845 8.8221 129.8389 54.0162 43.7446 174.9699 18 T 5.0302 8.5728 123.7032 62.1968 69.8499 174.6604 19 V 4.5619 8.7336 119.3816 59.7147 35.4522 175.1527 20 D 5.0261 8.2743 122.3413 51.9431 41.7245 175.5930 21 E 4.3348 8.5557 117.2956 57.3092 29.9324 176.1987 22 D 4.7930 8.3394 119.5614 53.2018 42.2751 175.3623 23 D 4.9721 7.9483 121.1565 52.7562 43.2411 175.9849 24 N 4.4852 8.1233 119.0889 51.3914 40.6724 175.6879 25 T 3.8775 8.2015 117.3302 67.1280 67.9339 176.9431 26 S 4.1524 8.0407 116.6338 61.5310 62.9334 176.7538 27 S 4.2220 8.6958 117.3246 61.3052 62.7162 176.1812 28 E 4.0664 8.2824 122.9841 59.2985 29.4165 179.1289 29 R 4.0093 8.4068 118.0686 59.0131 30.0450 178.9653 30 A 4.0624 8.4557 121.0991 55.0767 18.3445 179.3840 31 F 4.0720 8.4359 119.1671 61.6354 39.4321 177.5774 32 R 3.7901 8.4341 117.7880 59.2279 29.7934 178.4866 33 Y 4.0161 8.5163 119.5238 60.6757 38.8889 177.8886 34 A 3.7294 8.1404 121.9965 55.3183 18.4050 179.7189 35 T 3.7511 7.7419 108.3881 64.8484 68.8498 177.2417 36 T 3.7475 7.9471 118.9734 66.1641 68.4577 176.3226 37 L 3.9451 7.7682 122.0515 58.2569 42.1471 178.9832 38 A 4.0568 7.9815 120.6889 55.1756 18.1246 179.1438 39 H 4.0112 8.4584 117.0167 59.7391 29.8432 177.4300 40 D 4.2094 8.3626 119.5560 56.5067 40.6645 177.3304 41 Y 4.4554 7.7706 114.1383 56.2543 39.7811 174.7501 42 D 4.3994 7.6405 118.8597 55.7740 39.8981 172.8408 43 V 4.7766 7.7369 111.3927 58.6415 35.9139 175.9208 44 P 4.7586 0.0000 0.0000 62.8805 32.9225 174.6588 45 L 5.2448 9.2453 123.9941 53.3367 45.1778 175.1283 46 G 3.7421 9.1579 113.3210 44.1602 0.0000 171.9918 47 I 4.9050 8.5265 124.7568 59.5391 39.8510 174.0313 48 C 5.8083 9.0707 128.1455 56.9971 34.3992 172.5115 49 S 5.1994 8.5095 118.2355 56.8502 66.5130 172.0626 50 V 4.9051 8.2818 121.3606 61.0036 34.1935 174.4033 51 L 4.7686 8.8598 127.3682 52.8830 43.9176 175.7665 52 E 4.1854 8.5185 123.3997 56.3759 30.5122 177.3525 53 S 4.1140 8.1210 120.7446 58.5381 60.5894 173.8747 *65 S 4.5213 8.5174 120.4595 58.1990 64.8376 176.6508 66 K 4.0912 7.7326 118.5350 58.4531 31.8333 179.0357 67 I 3.6672 7.7677 119.4008 64.3544 37.8180 177.3602 68 Q 3.9955 7.9353 120.0634 58.8142 28.8637 177.6357 69 A 4.0354 8.0084 121.8201 55.0261 18.4822 179.5376 70 K 4.0468 7.9169 117.3721 59.8558 32.8214 179.4120 71 R 3.8844 8.0432 120.0900 59.0212 29.9721 178.2955 72 K 3.8984 8.4479 119.8556 59.8999 32.2361 178.2253 73 H 4.2092 8.1323 118.4253 59.2598 29.7438 177.4511 74 V 3.5981 7.8374 119.9997 66.0390 31.3762 177.7391 75 E 3.9847 8.2913 118.3455 59.6932 29.2322 179.2233 76 D 4.3478 8.2398 118.8397 57.0392 40.9110 178.9235 77 V 3.4988 7.8335 118.8283 65.9939 31.5314 178.2605 78 V 3.7182 8.0456 117.7624 66.0791 31.4111 177.7593 79 A 4.0200 8.2325 120.5965 55.0939 18.1634 179.2947 80 E 3.8156 8.3964 117.8690 59.6052 29.6985 178.4832 81 Y 3.9802 7.8703 116.8211 61.1665 37.9223 178.9842 82 V 3.7151 8.1631 119.0407 66.1345 31.6508 177.9545 83 Q 4.0456 8.2440 117.7369 59.1873 28.5824 179.0499 84 L 4.0895 8.1718 119.6287 57.6721 41.6408 179.4925 85 A 4.1715 8.6516 120.9873 55.2542 18.4739 179.4468 86 E 4.1369 8.4870 117.1818 59.8350 29.3141 179.6534 87 Q 4.0599 8.0237 117.0589 58.9488 28.8711 178.5954 88 R 4.1118 7.9636 118.5439 57.5019 30.1206 177.1323 89 G 4.1441 7.6020 106.0378 45.2754 0.0000 173.6799 90 V 3.7769 7.5528 120.1506 62.5340 31.8673 176.0254 91 N 4.4280 8.8860 125.2203 55.4864 38.8800 174.5926 92 Q 4.5320 7.9903 119.3056 54.2338 31.7763 174.2668 93 V 5.1573 8.4865 126.1199 61.0022 34.6376 174.3578 94 E 4.9426 9.2167 125.0818 53.8493 33.0557 172.9582 95 P 4.7817 0.0000 0.0000 62.9127 32.8899 176.3455 96 L 4.7861 8.9144 121.9159 52.8596 43.2736 173.3647 97 V 4.8451 8.0675 120.8212 61.4309 33.0424 173.9460 98 Y 4.7842 8.8257 124.5455 56.1252 42.2743 174.0671 99 E 5.0951 8.7142 120.4489 54.3947 32.7469 174.5306 100 G 3.8965 8.1576 112.1187 46.4275 0.0000 174.6022 101 G 3.6152 8.9632 108.8016 47.6698 0.0000 174.2111 102 D 4.8358 7.7491 120.3765 51.6772 43.3690 176.4193 103 V 3.3953 8.3261 126.6169 66.1639 31.4326 177.4821 104 D 4.2968 8.1434 117.9586 57.6247 40.6718 178.4418 105 D 4.3053 8.0117 119.3691 57.1331 40.7811 178.9631 106 V 3.5312 7.8655 118.8174 66.0417 31.4559 178.2058 107 I 3.5242 7.7608 119.4848 64.4879 36.7715 178.5900 108 L 3.9544 7.9156 118.4287 57.0405 41.5063 178.4559 109 E 4.4703 8.3835 116.9145 56.5716 30.8614 176.7785 110 Q 4.4728 7.5959 115.3193 57.4187 30.7584 177.9183 111 V 2.9728 7.3654 118.7029 65.8068 31.5291 177.9861 112 I 3.6884 7.7787 119.7015 64.2108 36.8107 176.7147 113 P 4.2400 0.0000 0.0000 65.3290 31.1622 178.2916 114 E 4.2125 7.9230 116.6039 59.2369 29.8360 178.4201 115 F 4.3723 8.6315 119.0044 58.0770 40.3352 175.0896 116 K 3.8544 8.2418 116.9110 56.7118 29.5900 173.6494 117 P 4.5960 0.0000 0.0000 62.8967 32.4241 175.8638 118 D 4.9631 8.5980 117.7494 53.2347 40.6292 175.8773 119 L 4.6128 7.6315 121.6784 53.3468 45.7505 174.0963 120 L 5.0265 8.7734 128.3685 53.3739 44.3637 174.8694 121 V 4.8564 8.9590 126.3402 61.4703 34.0926 174.1437 122 T 4.8504 8.7004 121.0953 60.3529 71.4878 173.1882 123 G 4.0935 8.7158 113.4352 45.9920 0.0000 174.5419 124 A 4.2121 8.7784 124.6743 54.2211 18.5044 178.4957 125 D 4.6531 7.8016 113.4817 54.5919 41.9601 177.0099 126 T 4.0332 7.5438 117.9034 63.7917 68.8887 173.0559 127 E 4.8654 8.7113 122.7517 55.2370 32.9314 174.0025 128 F 4.6981 8.3825 117.8464 54.8487 42.0388 174.6956 129 P 4.3504 0.0000 0.0000 65.3730 31.2993 176.6692 130 H 4.7368 7.9942 112.4602 55.1747 29.2114 175.4761 131 S 4.2680 7.6587 115.7441 58.3070 63.4324 174.5730 132 K 4.0347 8.7084 122.7404 59.2582 31.9813 177.5714 133 I 4.2782 7.4899 118.1745 59.3783 38.3724 175.5333 134 A 4.1425 8.3500 128.3849 52.9071 19.2548 177.0303 135 G 3.7525 8.5578 105.1447 43.1762 0.0000 172.5260 136 A 4.2275 8.2744 122.2266 52.3292 18.8038 178.5771 137 I 4.0408 8.8151 123.9410 63.4764 38.0268 178.2295 138 G 3.7300 8.1501 106.5526 47.6785 0.0000 173.7965 139 P 4.4132 0.0000 0.0000 64.7769 31.3262 179.0879 140 R 3.9363 7.9045 116.7491 59.2822 30.0146 178.8732 141 L 3.9927 8.2479 118.7870 57.6306 41.3454 179.2567 142 A 3.9614 8.2207 120.4679 55.2459 18.3081 179.3958 143 R 3.9844 7.7912 115.9508 58.9667 30.3133 178.0356 144 K 4.3046 7.7607 115.8985 56.2564 33.2778 177.0653 145 A 4.2296 7.5881 122.2459 51.3153 18.8474 175.5483 146 P 4.5568 0.0000 0.0000 63.0697 31.9882 175.2540 147 I 4.6650 7.1367 111.7117 58.7172 40.8708 175.2602 148 S 4.3660 8.5431 117.8596 58.8840 63.9494 173.8707 149 V 4.7123 8.1294 122.0184 61.2178 34.5121 173.9825 150 I 4.3154 8.7131 128.4214 59.1792 40.2785 174.1257 151 V 4.5084 8.3326 129.6977 61.5587 32.4210 174.7616 152 V 4.1428 8.6062 129.3744 61.5082 33.2672 176.3092 153 R 4.4976 8.3029 124.6484 55.4847 30.5483 175.4997 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 4.25 0.00 2.06 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 2.27 2.36 0.00 3 N 8.88 4.08 0.00 2.79 2.85 0.00 0.00 6.86 6.19 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 4 Q 8.29 4.09 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.50 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 5 K 7.50 4.00 0.00 1.95 1.74 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.40 7.81 *7 Q 8.08 4.23 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.51 2.29 0.00 8 E 7.67 3.99 0.00 1.89 1.83 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 2.28 2.25 0.00 9 P 0.00 4.36 0.00 2.04 1.95 0.00 3.64 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 2.02 2.07 0.00 10 L 8.11 4.48 0.00 1.40 1.32 0.74 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.85 3.94 1.86 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 0.37 0.00 0.00 0.53 0.00 0.00 12 Y 8.18 4.34 0.00 3.01 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 13 R 9.22 4.35 0.00 1.78 1.96 0.00 3.28 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 14 R 8.70 4.71 0.00 1.62 1.54 0.00 2.93 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 15 I 9.04 4.88 1.91 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 1.16 1.02 0.89 0.00 0.00 16 L 8.92 4.93 0.00 1.86 1.54 0.66 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.82 4.98 0.00 1.74 1.45 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.57 5.03 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 1.34 0.00 0.00 19 V 8.73 4.56 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 -0.03 0.00 0.00 0.94 0.00 0.00 20 D 8.27 5.03 0.00 2.33 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 0.00 0.00 0.00 21 E 8.56 4.33 0.00 2.01 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 0.00 2.25 2.36 0.00 22 D 8.34 4.79 0.00 2.74 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 23 D 7.95 4.97 0.00 2.62 2.54 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 24 N 8.12 4.49 0.00 2.92 2.87 0.00 0.00 6.25 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 25 T 8.20 3.88 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 1.23 0.00 0.00 26 S 8.04 4.15 0.00 3.98 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 27 S 8.70 4.22 0.00 4.14 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 0.00 28 E 8.28 4.07 0.00 2.13 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 0.00 2.42 2.43 0.00 29 R 8.41 4.01 0.00 1.93 2.01 0.00 3.21 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 30 A 8.46 4.06 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 31 F 8.44 4.07 0.00 3.33 3.42 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 0.00 32 R 8.43 3.79 0.00 2.12 2.01 0.00 3.29 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.98 0.00 33 Y 8.52 4.02 0.00 3.05 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 34 A 8.14 3.73 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 35 T 7.74 3.75 3.97 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 0.00 0.00 0.49 0.00 0.00 36 T 7.95 3.75 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 1.21 0.00 0.00 37 L 7.77 3.95 0.00 1.29 1.55 0.81 0.92 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 38 A 7.98 4.06 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 39 H 8.46 4.01 0.00 3.19 3.47 0.00 5.59 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 40 D 8.36 4.21 0.00 2.39 2.21 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 41 Y 7.77 4.46 0.00 3.10 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 42 D 7.64 4.40 0.00 2.68 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 43 V 7.74 4.78 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 0.93 0.00 0.00 1.04 0.00 0.00 44 P 0.00 4.76 0.00 2.22 2.37 0.00 3.90 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 2.04 1.94 0.00 45 L 9.25 5.24 0.00 1.76 1.55 0.89 0.92 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 46 G 9.16 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 47 I 8.53 4.91 1.88 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.71 0.83 0.00 0.00 48 C 9.07 5.81 0.00 2.80 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 49 S 8.51 5.20 0.00 3.99 3.73 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 50 V 8.28 4.91 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.72 0.00 0.00 51 L 8.86 4.77 0.00 1.60 1.55 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.52 4.19 0.00 1.51 1.72 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 2.24 2.25 0.00 53 S 8.12 4.11 0.00 4.02 3.79 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 *65 S 8.52 4.52 0.00 3.95 3.91 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 66 K 7.73 4.09 0.00 1.80 1.85 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.49 7.81 67 I 7.77 3.67 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 1.52 1.61 0.91 0.00 0.00 68 Q 7.94 4.00 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 69 A 8.01 4.04 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 70 K 7.92 4.05 0.00 2.00 2.09 0.00 1.34 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.46 7.81 71 R 8.04 3.88 0.00 1.92 2.11 0.00 3.26 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 72 K 8.45 3.90 0.00 1.96 2.01 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.52 7.81 73 H 8.13 4.21 0.00 3.27 3.44 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.84 3.60 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 1.06 0.00 0.00 1.10 0.00 0.00 75 E 8.29 3.98 0.00 2.29 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 2.33 2.47 0.00 76 D 8.24 4.35 0.00 2.86 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 77 V 7.83 3.50 2.20 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 1.17 0.00 0.00 0.83 0.00 0.00 78 V 8.05 3.72 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 1.07 0.00 0.00 1.02 0.00 0.00 79 A 8.23 4.02 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 80 E 8.40 3.82 0.00 2.02 1.90 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 2.09 2.23 0.00 81 Y 7.87 3.98 0.00 3.23 2.98 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 82 V 8.16 3.72 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 1.09 0.00 0.00 1.05 0.00 0.00 83 Q 8.24 4.05 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 84 L 8.17 4.09 0.00 1.76 1.80 0.45 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.65 4.17 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 86 E 8.49 4.14 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 2.38 2.57 0.00 87 Q 8.02 4.06 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 88 R 7.96 4.11 0.00 1.87 2.18 0.00 3.22 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 89 G 7.60 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 90 V 7.55 3.78 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 0.81 0.00 0.00 0.96 0.00 0.00 91 N 8.89 4.43 0.00 2.77 2.87 0.00 0.00 6.82 7.69 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 92 Q 7.99 4.53 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 93 V 8.49 5.16 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 0.96 0.00 0.00 0.98 0.00 0.00 94 E 9.22 4.94 0.00 2.07 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 2.30 2.22 0.00 95 P 0.00 4.78 0.00 2.12 2.11 0.00 3.74 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 2.00 2.02 0.00 96 L 8.91 4.79 0.00 1.64 1.77 0.23 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.07 4.85 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 0.81 0.00 0.00 0.96 0.00 0.00 98 Y 8.83 4.78 0.00 2.84 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 99 E 8.71 5.10 0.00 1.90 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 0.00 2.17 2.29 0.00 100 G 8.16 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 0.00 101 G 8.96 3.62 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 0.00 102 D 7.75 4.84 0.00 2.76 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 0.00 103 V 8.33 3.40 1.85 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 0.28 0.00 0.00 0.50 0.00 0.00 104 D 8.14 4.30 0.00 3.03 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 0.00 105 D 8.01 4.31 0.00 2.74 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 0.00 106 V 7.87 3.53 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 0.99 0.00 0.00 0.98 0.00 0.00 107 I 7.76 3.52 1.79 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 0.35 0.84 0.00 0.00 108 L 7.92 3.95 0.00 1.58 1.70 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.38 4.47 0.00 2.09 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 2.25 2.30 0.00 110 Q 7.60 4.47 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 111 V 7.37 2.97 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 0.75 0.00 0.00 -0.02 0.00 0.00 112 I 7.78 3.69 1.91 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 1.53 0.47 0.91 0.00 0.00 113 P 0.00 4.24 0.00 2.02 2.12 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 114 E 7.92 4.21 0.00 2.19 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 0.00 2.42 2.43 0.00 115 F 8.63 4.37 0.00 2.97 3.23 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 0.00 116 K 8.24 3.85 0.00 1.76 1.77 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.50 7.81 117 P 0.00 4.60 0.00 2.42 2.39 0.00 3.92 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 118 D 8.60 4.96 0.00 2.82 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 0.00 119 L 7.63 4.61 0.00 0.63 1.19 0.44 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.77 5.03 0.00 1.72 1.45 0.89 0.87 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 0.00 121 V 8.96 4.86 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 1.13 0.00 0.00 1.05 0.00 0.00 122 T 8.70 4.85 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 0.00 123 G 8.72 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.78 4.21 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 0.00 125 D 7.80 4.65 0.00 2.65 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 0.00 126 T 7.54 4.03 4.21 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 1.10 0.00 0.00 127 E 8.71 4.87 0.00 2.12 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 2.22 2.16 0.00 128 F 8.38 4.70 0.00 2.92 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 0.00 129 P 0.00 4.35 0.00 2.24 2.22 0.00 3.94 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 2.18 2.04 0.00 130 H 7.99 4.74 0.00 3.29 3.49 0.00 5.73 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 0.00 131 S 7.66 4.27 0.00 4.08 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 0.00 132 K 8.71 4.03 0.00 1.81 1.93 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.57 7.81 133 I 7.49 4.28 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 1.35 0.54 0.92 0.00 0.00 134 A 8.35 4.14 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 0.00 135 G 8.56 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 0.00 136 A 8.27 4.23 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 0.00 137 I 8.82 4.04 2.03 0.00 0.00 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 1.50 1.71 1.10 0.00 0.00 138 G 8.15 3.73 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 0.00 0.00 0.00 139 P 0.00 4.41 0.00 2.16 2.10 0.00 3.81 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 2.10 2.16 0.00 140 R 7.90 3.94 0.00 2.00 1.98 0.00 3.13 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 141 L 8.25 3.99 0.00 1.82 1.70 0.93 1.15 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 0.00 142 A 8.22 3.96 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 0.00 143 R 7.79 3.98 0.00 1.86 2.10 0.00 3.25 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 144 K 7.76 4.30 0.00 1.77 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.56 7.81 145 A 7.59 4.23 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 0.00 146 P 0.00 4.56 0.00 2.19 2.16 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 147 I 7.14 4.66 2.06 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 0.72 0.99 0.00 0.00 148 S 8.54 4.37 0.00 3.73 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 0.00 149 V 8.13 4.71 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 0.75 0.00 0.00 1.03 0.00 0.00 150 I 8.71 4.32 1.73 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.12 0.89 0.00 0.00 151 V 8.33 4.51 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 0.79 0.00 0.00 0.89 0.00 0.00 152 V 8.61 4.14 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 0.97 0.00 0.00 0.79 0.00 0.00 153 R 8.30 4.50 0.00 1.77 1.75 0.00 3.33 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.