NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2158 8.1127 119.0396 55.4550 31.1035 174.4764 7 V 3.4756 8.0940 123.4231 63.1671 31.7480 174.3935 8 G 3.9960 8.8317 116.8614 44.8008 0.0000 173.0247 9 E 4.3105 7.8361 118.0628 56.1851 31.2334 175.9307 10 R 5.1288 8.5902 121.3354 54.7441 32.6970 173.9668 11 F 5.1680 9.5881 129.0319 56.8211 42.2386 174.2011 12 T 4.8695 6.8856 119.5705 61.0147 72.5287 173.3378 13 H 4.2770 8.1038 123.2807 55.5874 32.7321 171.5729 14 D 5.2379 8.3413 125.9686 52.6049 43.2221 176.1917 15 F 4.5414 8.7529 125.1328 56.7202 42.7168 173.4017 16 V 3.8854 7.7827 127.3331 62.3820 32.3054 175.5191 17 V 3.5358 8.4689 129.5336 62.0393 32.2060 174.0504 18 P 4.7220 0.0000 0.0000 60.8310 32.6712 175.1632 19 P 4.2421 0.0000 0.0000 65.5449 31.2400 177.0821 20 H 4.1552 7.8122 111.7609 55.2012 28.8291 175.3296 21 K 3.7556 7.6743 118.8519 56.4854 32.7051 176.4398 22 T 5.6496 7.6456 109.3466 59.6043 70.6129 175.5077 23 V 3.3843 8.5857 121.0332 66.0290 31.0957 178.2332 24 R 4.0592 7.9917 115.2149 58.9240 29.5957 177.7999 25 H 4.5015 8.0623 114.5923 57.4782 29.3249 176.6000 26 L 3.7856 7.9304 121.4357 57.6285 42.0948 176.9742 27 Y 4.7143 7.4116 117.7775 53.7751 38.1462 174.0754 28 P 4.5800 0.0000 0.0000 64.2472 31.6129 177.3051 29 E 4.1847 8.3248 114.6489 56.6754 30.0315 175.6400 30 S 4.7462 7.8670 115.6459 56.2803 62.5620 171.9084 31 P 4.4603 0.0000 0.0000 65.5489 31.3647 178.8256 32 E 4.0759 8.1054 116.3851 58.4683 29.6575 177.3771 33 F 5.1386 7.8502 115.4464 57.4331 40.0041 177.3720 34 A 4.2075 8.1858 125.9403 54.7761 18.2937 178.7380 35 E 4.7934 8.2059 110.0696 55.5469 30.8003 181.4224 36 F 4.3080 8.2127 117.7117 57.3358 39.5410 173.7915 37 P 4.3820 0.0000 0.0000 63.3986 31.9179 177.3446 38 E 4.4563 8.5097 121.7004 55.5551 28.0630 176.1383 39 V 4.8334 7.3070 114.1826 58.6734 36.5717 175.3325 40 F 5.0885 9.1606 125.7739 58.9208 39.6548 174.9469 41 A 4.1099 8.7493 128.2065 52.0073 18.9634 178.3159 42 T 3.6102 8.7522 118.3487 66.6921 68.9197 176.1123 43 G 3.5768 7.8901 109.6959 48.5786 0.0000 174.5688 44 F 4.7497 7.2750 118.0078 57.8823 38.7725 177.8340 *46 V 3.9317 8.0491 121.5345 62.9317 33.1219 176.7293 47 G 3.7253 7.7877 108.3926 48.5834 0.0000 175.4631 48 L 4.4982 8.1264 119.6560 55.6315 41.7060 178.3259 *50 E 4.0760 8.3316 117.9626 55.6443 31.5850 177.8974 51 W 4.3124 8.3942 127.7354 60.4871 30.6190 177.6949 52 A 3.9189 7.8584 120.5166 55.4949 17.6177 179.4091 53 C 2.9607 7.5979 113.2256 62.5124 28.1409 176.0191 54 V 3.6744 7.7147 119.1780 66.0161 31.1564 178.0265 55 R 3.9827 7.7672 116.6185 58.8300 29.9347 179.8182 56 A 3.8839 7.1383 118.4649 52.1197 18.5821 178.3249 *58 A 4.3569 8.0667 126.2706 53.2801 20.4441 177.8221 59 P 4.3296 0.0000 0.0000 64.3708 31.5975 176.2619 60 Y 4.5742 7.7298 115.2422 57.7580 38.7193 175.2370 61 L 4.5294 7.4621 120.7048 53.5446 43.1256 176.6089 62 E 4.3091 8.9772 122.2910 54.9140 30.3469 174.7048 63 P 4.4166 0.0000 0.0000 64.5639 31.9436 177.2592 64 G 3.9728 8.9861 109.6436 45.5684 0.0000 172.7432 65 E 5.0601 7.9734 118.8743 55.1942 31.5078 176.0460 66 G 4.2230 8.6685 107.5658 45.8502 0.0000 171.2686 67 S 5.2749 8.4092 113.0491 57.3081 66.5144 173.4607 68 L 4.7272 8.8311 119.8461 52.6696 45.9302 176.2454 69 G 4.1687 8.8098 110.6147 46.6503 0.0000 173.2772 70 T 4.7213 8.7513 115.0781 61.7272 70.6820 174.2823 71 A 4.5766 7.6340 121.3402 51.3987 22.4792 174.9804 72 I 5.0545 8.2795 120.0647 59.9314 41.6041 174.2812 73 C 4.6947 9.4397 129.3971 58.0830 33.5976 172.6138 74 V 5.1107 8.1070 117.6470 59.6565 35.5811 175.2930 75 T 4.3990 8.5300 114.0658 61.4844 71.1995 173.4910 76 H 5.3033 8.6044 121.3008 55.2507 30.8548 172.1837 77 T 4.5650 9.0960 115.8301 61.9686 70.0387 174.7723 78 A 4.6499 7.9236 122.7509 50.5348 22.3442 174.5720 79 A 4.8401 8.3608 121.2210 50.7735 21.4513 176.9321 80 T 4.6657 8.3690 116.5675 61.0311 72.0529 172.1834 81 P 5.0273 0.0000 0.0000 61.3732 33.2157 174.2114 82 P 4.4084 0.0000 0.0000 64.1884 31.7216 176.3953 83 G 3.9839 9.0468 109.9196 45.3341 0.0000 174.2439 84 L 4.3011 7.2784 117.7374 54.6520 43.7388 176.1451 85 T 4.6610 8.1842 117.7106 62.2738 70.4673 173.8599 86 V 4.4560 8.6669 127.8741 62.0906 33.4189 174.5941 87 T 4.8131 8.6972 125.4254 61.9213 70.4534 173.5021 88 V 4.6964 8.5146 127.5379 61.8667 33.7531 174.5683 89 T 4.8927 8.9397 124.3828 61.7396 71.0828 172.9215 90 A 5.3552 9.1828 129.0029 50.1194 21.7891 174.4552 91 E 5.2456 9.5751 124.4450 54.0439 32.5984 174.8876 92 L 3.5317 8.6804 129.8852 55.3938 42.4665 177.2782 93 R 4.3072 8.4150 125.8876 57.9123 31.7256 176.8029 94 S 4.4613 7.0277 109.7351 57.3995 66.0135 174.9958 95 V 4.5311 8.2805 120.7673 61.5265 33.8912 175.1477 96 E 4.5346 9.0471 128.9434 54.4926 31.1921 178.5332 97 G 3.9343 8.2891 117.4136 46.6241 0.0000 174.0014 98 R 4.0510 8.8956 128.9859 57.1006 30.7156 174.2404 99 R 4.9374 7.7361 118.8782 55.1416 31.9007 174.7248 100 L 5.0366 8.9607 126.4169 53.0170 44.8640 175.4456 101 S 5.2250 8.4249 119.4057 56.5443 65.7287 173.2690 102 W 5.2612 9.2740 123.3866 54.8937 33.2565 174.1525 103 R 5.0655 9.3333 123.9467 55.1840 31.5130 175.4125 104 V 5.2362 8.9717 119.3924 59.7811 35.4338 174.7959 105 S 5.2315 9.0366 117.4354 57.2610 67.0211 172.5676 106 A 5.3636 9.0548 121.5865 50.9808 22.8710 174.9157 107 H 5.3558 9.0709 115.0658 53.8445 32.4533 173.4916 108 D 5.2770 8.7200 118.5740 52.4413 39.4785 176.9075 109 G 4.0877 8.7954 109.5840 45.5375 0.0000 174.6947 110 V 4.1425 7.8775 116.5935 63.9043 33.0127 175.1924 111 D 5.0134 8.8129 118.6493 51.8042 44.2418 174.8558 112 E 4.3891 8.7482 122.9510 56.4143 30.2730 176.4410 113 I 4.5139 9.2830 118.4543 59.9282 40.0000 175.3752 114 G 4.7000 7.9332 112.7058 46.4733 0.0000 171.5673 115 S 5.0385 7.0043 112.2170 56.8296 66.4610 175.5426 116 G 4.2813 7.6223 108.3322 46.6773 0.0000 171.4466 117 T 5.3133 8.2735 112.8659 60.4676 72.9050 173.1554 118 H 5.3764 9.1513 121.4925 55.1143 33.8912 171.8040 119 E 5.3431 9.0996 124.6815 54.6995 32.6504 175.2285 120 R 5.1875 9.2705 121.6071 54.3321 34.6029 174.0822 121 A 5.1152 8.9165 123.6176 50.0462 21.6702 176.0428 122 V 4.2807 8.5549 123.7391 62.6714 32.2717 175.3561 123 I 4.6429 8.6241 120.6203 59.3602 41.7002 173.8217 124 H 5.0489 8.4869 120.0328 54.8056 29.7775 176.1379 125 L 4.0650 8.9147 124.7801 58.0890 41.6881 179.5553 126 E 4.0577 8.2043 117.9284 59.2803 29.5736 179.2655 127 K 3.9984 8.0478 119.2492 59.2875 32.4137 178.5644 128 F 4.1406 8.5147 121.0594 61.4939 39.3138 176.7562 129 N 4.1927 8.8356 116.2937 56.3110 38.3019 177.2326 130 A 3.9471 7.9185 121.8387 55.1358 18.2536 179.9030 131 K 3.8930 7.6068 115.6353 59.2351 32.3218 179.6098 132 V 3.4684 7.4808 118.7122 65.8356 31.5352 177.8839 133 R 3.9028 8.2402 121.2913 60.2966 29.6988 178.7928 134 Q 4.1898 7.8776 117.9852 58.6046 28.2192 178.7731 135 K 4.5694 7.6601 117.2918 56.5240 33.2798 176.0179 136 T 4.1422 7.0663 116.2083 62.7499 69.1016 172.8984 137 P 4.4091 0.0000 0.0000 62.9084 31.2929 176.1882 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 6 R 8.11 4.22 0.00 1.75 1.90 0.00 3.23 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 7 V 8.09 3.48 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 0.90 0.00 0.00 0.79 0.00 0.00 8 G 8.83 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 0.00 0.00 0.00 9 E 7.84 4.31 0.00 2.16 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 2.48 2.35 0.00 10 R 8.59 5.13 0.00 1.85 1.87 0.00 3.21 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 11 F 9.59 5.17 0.00 3.13 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 6.89 4.87 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 1.00 0.00 0.00 13 H 8.10 4.28 0.00 2.78 3.03 0.00 5.83 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.34 5.24 0.00 2.45 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 15 F 8.75 4.54 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.78 3.89 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 0.58 0.00 0.00 0.76 0.00 0.00 17 V 8.47 3.54 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 0.77 0.00 0.00 0.42 0.00 0.00 18 P 0.00 4.72 0.00 1.96 1.96 0.00 3.68 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 19 P 0.00 4.24 0.00 2.06 2.17 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 20 H 7.81 4.16 0.00 3.10 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.67 3.76 0.00 1.82 1.83 0.00 0.91 0.00 0.00 0.61 0.00 0.00 2.83 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.07 1.61 7.81 22 T 7.65 5.65 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 1.37 0.00 0.00 23 V 8.59 3.38 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 -0.06 0.00 0.00 0.99 0.00 0.00 24 R 7.99 4.06 0.00 2.09 2.37 0.00 3.04 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 25 H 8.06 4.50 0.00 3.61 3.60 0.00 5.66 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 26 L 7.93 3.79 0.00 1.07 1.62 -0.24 0.66 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 27 Y 7.41 4.71 0.00 3.33 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 28 P 0.00 4.58 0.00 2.07 2.15 0.00 3.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 29 E 8.32 4.18 0.00 2.17 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 2.59 2.37 0.00 30 S 7.87 4.75 0.00 3.79 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 0.00 31 P 0.00 4.46 0.00 2.21 2.09 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 32 E 8.11 4.08 0.00 1.61 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 2.20 2.34 0.00 33 F 7.85 5.14 0.00 3.17 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.19 4.21 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 35 E 8.21 4.79 0.00 1.96 1.78 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 2.11 1.85 0.00 36 F 8.21 4.31 0.00 3.20 3.06 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 37 P 0.00 4.38 0.00 2.10 2.04 0.00 3.64 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 38 E 8.51 4.46 0.00 2.01 1.98 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 2.38 2.33 0.00 39 V 7.31 4.83 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 0.87 0.00 0.00 1.08 0.00 0.00 40 F 9.16 5.09 0.00 3.07 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 41 A 8.75 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.75 3.61 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 1.17 0.00 0.00 43 G 7.89 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.28 4.75 0.00 2.72 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 *46 V 8.05 3.93 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 0.72 0.00 0.00 0.91 0.00 0.00 47 G 7.79 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 48 L 8.13 4.50 0.00 2.01 1.78 0.73 0.95 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 *50 E 8.33 4.08 0.00 2.27 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 2.06 2.34 0.00 51 W 8.39 4.31 0.00 3.46 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 52 A 7.86 3.92 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 53 C 7.60 2.96 0.00 2.63 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 0.00 0.00 0.00 54 V 7.71 3.67 2.27 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 0.85 0.00 0.00 0.93 0.00 0.00 55 R 7.77 3.98 0.00 1.59 1.45 0.00 3.05 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 56 A 7.14 3.88 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 *58 A 8.07 4.36 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 59 P 0.00 4.33 0.00 1.49 1.93 0.00 3.61 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 1.72 1.94 0.00 60 Y 7.73 4.57 0.00 3.02 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 61 L 7.46 4.53 0.00 1.75 1.61 0.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.98 4.31 0.00 2.12 1.88 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 2.36 2.45 0.00 63 P 0.00 4.42 0.00 2.05 2.01 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 64 G 8.99 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 0.00 0.00 0.00 0.00 65 E 7.97 5.06 0.00 2.20 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 2.25 2.28 0.00 66 G 8.67 4.22 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 0.00 67 S 8.41 5.27 0.00 3.90 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 68 L 8.83 4.73 0.00 1.40 1.42 0.58 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.81 4.17 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 0.00 70 T 8.75 4.72 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 1.20 0.00 0.00 71 A 7.63 4.58 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 72 I 8.28 5.05 1.93 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 1.22 0.73 0.93 0.00 0.00 73 C 9.44 4.69 0.00 3.00 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 74 V 8.11 5.11 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 0.85 0.00 0.00 0.93 0.00 0.00 75 T 8.53 4.40 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 1.24 0.00 0.00 76 H 8.60 5.30 0.00 3.10 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.10 4.57 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 1.25 0.00 0.00 78 A 7.92 4.65 1.30 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 0.00 0.00 79 A 8.36 4.84 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 80 T 8.37 4.67 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 1.20 0.00 0.00 81 P 0.00 5.03 0.00 2.12 2.20 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 82 P 0.00 4.41 0.00 2.03 1.99 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 83 G 9.05 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 84 L 7.28 4.30 0.00 1.60 1.66 0.95 0.57 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 85 T 8.18 4.66 4.16 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 1.10 0.00 0.00 86 V 8.67 4.46 1.98 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 0.99 0.00 0.00 0.70 0.00 0.00 87 T 8.70 4.81 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 1.14 0.00 0.00 88 V 8.51 4.70 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 0.95 0.00 0.00 0.97 0.00 0.00 89 T 8.94 4.89 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 1.24 0.00 0.00 90 A 9.18 5.36 1.23 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 0.00 0.00 91 E 9.58 5.25 0.00 2.07 1.88 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 2.20 2.38 0.00 92 L 8.68 3.53 0.00 1.16 1.23 -0.13 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.42 4.31 0.00 1.66 1.88 0.00 3.28 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 94 S 7.03 4.46 0.00 3.74 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 95 V 8.28 4.53 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 0.76 0.00 0.00 0.72 0.00 0.00 96 E 9.05 4.53 0.00 1.96 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 2.16 2.15 0.00 97 G 8.29 3.93 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 0.00 0.00 0.00 98 R 8.90 4.05 0.00 1.89 1.91 0.00 3.21 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 99 R 7.74 4.94 0.00 1.93 1.91 0.00 3.07 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 100 L 8.96 5.04 0.00 1.79 1.35 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.42 5.23 0.00 3.63 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 0.00 102 W 9.27 5.26 0.00 3.43 3.15 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 0.00 103 R 9.33 5.07 0.00 1.89 1.86 0.00 3.06 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 104 V 8.97 5.24 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 0.80 0.00 0.00 1.02 0.00 0.00 105 S 9.04 5.23 0.00 3.89 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 0.00 106 A 9.05 5.36 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 0.00 107 H 9.07 5.36 0.00 3.30 3.36 0.00 5.24 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.72 5.28 0.00 2.73 2.78 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 0.00 109 G 8.80 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 0.00 110 V 7.88 4.14 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 0.87 0.00 0.00 0.93 0.00 0.00 111 D 8.81 5.01 0.00 2.68 2.52 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 0.00 112 E 8.75 4.39 0.00 1.95 1.88 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 2.33 2.50 0.00 113 I 9.28 4.51 2.04 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 1.28 0.94 1.03 0.00 0.00 114 G 7.93 4.70 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 0.00 115 S 7.00 5.04 0.00 3.95 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 7.62 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 0.00 0.00 0.00 0.00 117 T 8.27 5.31 4.31 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 1.26 0.00 0.00 118 H 9.15 5.38 0.00 3.29 3.26 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.10 5.34 0.00 2.00 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 2.22 2.31 0.00 120 R 9.27 5.19 0.00 1.86 1.86 0.00 3.01 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 121 A 8.92 5.12 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 0.00 122 V 8.55 4.28 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 0.98 0.00 0.00 123 I 8.62 4.64 1.73 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.90 0.70 0.00 0.00 124 H 8.49 5.05 0.00 3.15 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.91 4.07 0.00 1.75 1.78 0.97 0.56 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 0.00 126 E 8.20 4.06 0.00 2.04 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 2.42 2.39 0.00 127 K 8.05 4.00 0.00 1.86 2.04 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.53 7.81 128 F 8.51 4.14 0.00 3.25 3.28 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 0.00 129 N 8.84 4.19 0.00 2.81 2.86 0.00 0.00 6.97 7.82 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 0.00 130 A 7.92 3.95 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 0.00 131 K 7.61 3.89 0.00 1.70 1.75 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.59 7.81 132 V 7.48 3.47 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 0.89 0.00 0.00 0.21 0.00 0.00 133 R 8.24 3.90 0.00 2.14 1.93 0.00 3.17 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 134 Q 7.88 4.19 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.51 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 135 K 7.66 4.57 0.00 1.85 1.89 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.41 7.81 136 T 7.07 4.14 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 137 P 0.00 4.41 0.00 2.03 1.96 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.