NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4207 8.2985 121.7425 55.9715 31.1896 174.6631 3 A 4.4786 8.7562 129.2540 51.0240 19.4374 171.0275 4 V 4.3752 8.7952 121.9813 61.0428 33.7777 173.5003 5 K 4.9206 8.5432 128.0080 55.0692 34.9352 175.1137 6 T 4.6817 9.4202 121.0532 60.7906 70.6351 173.2309 7 D 4.6198 8.6009 125.4802 55.3882 41.3481 177.8634 8 R 4.1823 7.8816 117.4936 56.6327 30.2689 175.9567 9 A 4.7357 7.3364 119.6139 49.2454 22.3654 174.3847 10 P 4.1592 0.0000 0.0000 62.8020 31.7956 176.7249 11 A 3.9724 8.6010 125.4064 52.4836 18.7555 177.5053 12 A 4.3002 8.0367 123.3021 50.4040 17.3628 176.8297 13 I 4.0407 9.1954 121.8439 62.1719 36.4659 176.3660 14 G 4.0674 7.8273 112.4566 43.2089 0.0000 169.4577 15 P 4.6429 0.0000 0.0000 60.6288 30.3376 174.5832 16 Y 4.7214 6.9249 116.7594 56.8281 40.8608 173.8815 17 A 4.8871 8.3280 123.3091 50.1038 21.9206 176.6250 18 Q 4.4511 8.6319 119.0847 59.2987 29.9031 176.4924 19 A 5.1218 7.6783 117.3963 51.0907 23.0133 175.3618 20 V 4.8882 9.0453 119.1363 61.1539 35.1511 174.3880 21 K 5.1817 9.0887 127.4635 55.1171 33.4220 176.0605 22 A 4.4561 9.7442 125.6181 52.5788 22.4556 176.1965 23 G 4.2117 10.1646 109.2224 46.5324 0.0000 174.7379 24 G 3.7118 8.5638 106.8290 44.5257 0.0000 173.1483 25 F 5.2876 8.1372 117.6258 55.3831 43.4666 174.1882 26 V 4.7238 8.8262 119.5387 61.4094 34.1632 174.1836 27 F 4.8114 9.6246 128.1616 56.2075 40.4769 174.9821 28 V 4.7561 8.7555 125.3134 61.1429 33.0971 175.7696 29 S 4.4242 9.0504 124.5387 58.2125 63.8554 174.3712 30 G 3.8464 8.4822 109.1454 46.3845 0.0000 173.1416 31 Q 4.7407 9.3578 126.4151 54.9641 30.5662 175.2155 32 I 4.9758 8.1186 115.5235 57.5212 41.2118 174.3124 33 P 4.7005 0.0000 0.0000 62.3537 28.8939 175.3008 34 L 5.0353 7.4892 120.2269 53.2732 44.8681 177.1186 35 A 4.3212 8.9747 126.4901 50.9831 19.1380 176.5846 36 P 4.5206 0.0000 0.0000 65.6301 31.4175 177.4556 37 D 4.5007 8.0343 114.8643 53.6222 39.5762 177.0680 38 G 3.9576 8.5643 109.1816 45.3296 0.0000 173.7284 39 S 4.4850 8.5584 117.4295 57.7227 64.2402 173.3120 40 L 4.4093 8.4955 126.8692 54.8273 42.8455 175.9097 41 V 4.1228 8.7649 127.3273 62.0413 32.2501 174.9937 42 E 4.6123 8.4612 128.9572 54.0700 32.2456 172.8716 43 G 3.7495 8.5702 104.2194 44.6804 0.0000 173.2056 44 D 4.6624 8.5180 119.0934 52.7240 41.6313 176.5175 45 I 3.7340 8.3138 118.4776 64.3328 37.7349 177.8252 46 R 3.9639 8.0481 118.4726 59.2790 29.5097 179.0261 47 V 3.6459 8.5118 118.4369 66.0819 31.5549 178.1654 48 Q 4.0610 8.1922 117.9299 59.2612 28.3538 178.7386 49 T 4.0082 8.2014 116.3515 66.3932 68.5138 175.9498 50 E 4.0084 7.9827 120.6779 59.3716 29.9804 178.6251 51 R 4.0560 7.6888 117.8043 59.1682 30.0541 179.1922 52 V 3.6231 7.5226 115.0727 63.6905 31.2725 177.2869 *54 E 4.2102 8.1739 118.6822 55.9852 31.6567 178.0703 55 N 4.3268 8.2396 116.1611 56.1582 38.4443 177.3999 56 L 3.9881 7.9765 120.4215 57.6840 41.7497 179.4052 57 K 3.8237 7.9631 118.7048 59.5405 32.1846 178.3883 58 A 3.9882 8.1639 121.0564 55.2190 18.2468 179.8487 59 V 3.5801 8.0030 116.7845 66.0596 31.5826 178.2758 60 L 4.0455 8.2426 119.0651 57.8591 41.4584 179.3850 61 E 4.2319 8.6691 119.6936 58.8842 29.2152 179.2742 62 A 4.0784 7.9128 119.1891 54.2744 18.4945 178.4639 63 A 4.4270 7.5687 117.0725 51.8046 19.0652 177.9587 64 G 3.8858 8.0225 105.6032 45.7339 0.0000 174.0590 65 S 4.8767 7.8336 116.1082 58.4525 64.2353 172.4065 66 G 3.9275 8.0492 105.6728 45.2295 0.0000 173.9821 67 L 4.0552 8.1227 119.0214 57.7975 41.5456 180.0802 68 S 4.3487 8.0481 111.1624 60.3434 63.2123 174.7612 69 R 4.3704 7.9064 119.6351 56.0170 30.4814 176.1873 70 V 4.1375 7.7114 119.6888 63.1383 31.9130 175.7896 71 V 4.3830 8.6484 119.6763 61.7613 33.9352 175.3646 72 Q 5.0917 7.7133 121.1817 54.9672 32.5019 173.0188 73 T 5.0740 8.9848 115.7224 60.1693 72.7838 172.8979 74 T 4.6715 9.0019 120.2425 62.1877 71.6497 172.5824 75 C 5.0419 8.7107 125.0828 57.6957 31.2033 173.1712 76 F 5.1999 9.0465 122.1523 55.6038 41.9003 174.4175 77 L 5.1542 8.8508 122.2255 53.0516 45.0321 176.8626 78 A 4.8527 8.3123 121.0317 52.0255 20.2771 176.5117 79 D 4.4882 7.4448 114.2621 53.2521 43.4978 174.9105 *81 E 4.3748 8.7203 114.9561 56.4845 31.4173 176.5807 82 D 4.7340 8.2236 118.0604 54.6185 41.0527 177.9699 83 F 4.0253 8.5662 119.5321 60.2754 38.9709 175.2761 84 P 4.4301 0.0000 0.0000 65.7984 31.2529 178.9069 85 G 3.6715 8.1615 103.8366 47.6177 0.0000 175.2350 86 F 4.2068 8.5559 123.2382 61.3162 39.3940 176.9169 87 N 4.0101 8.6033 116.4483 56.1213 38.0614 176.9524 88 E 3.9115 7.9558 119.7583 59.4416 29.9976 178.8554 89 V 3.8032 7.6471 117.7793 65.9355 31.5082 177.1249 90 Y 3.9432 8.0985 119.5098 60.7716 38.3738 177.9257 91 A 4.4845 8.1688 119.1218 54.1291 18.5602 179.0410 92 R 4.0479 8.1527 116.3806 58.0345 30.3214 176.9022 93 Y 4.0393 7.8991 114.6107 58.4018 39.3455 175.7877 94 F 4.8112 8.1210 118.8247 55.8579 40.3029 175.2202 95 T 4.7507 8.2533 114.6595 58.4816 71.6531 171.8868 96 P 3.7536 0.0000 0.0000 61.9374 31.7268 174.5998 97 P 4.2939 0.0000 0.0000 62.4589 32.0382 175.9926 98 Y 4.5599 8.1389 120.2726 57.1201 38.6495 173.4234 99 P 4.6978 0.0000 0.0000 62.0075 32.6770 176.0455 100 A 4.3484 8.6696 123.1533 52.3179 19.5770 176.7118 101 R 5.0529 8.2350 118.4323 54.8683 33.7434 174.0238 102 A 4.7234 8.5239 125.1405 50.4534 22.2359 175.1626 103 T 4.8899 8.4136 118.0351 61.9151 72.2429 173.7003 104 V 4.7293 8.2931 116.8806 60.1088 36.9532 173.2403 105 A 5.2542 8.6777 123.4660 50.5397 20.6851 176.2287 106 V 4.4614 8.8600 114.4917 59.0850 35.8912 176.9953 107 K 3.8122 8.8614 121.9315 59.1445 31.9941 176.2276 108 A 4.6296 7.3867 117.5465 50.9842 22.1682 174.4989 109 L 4.7837 7.9589 118.1882 51.5525 45.6996 174.5535 110 P 4.3170 0.0000 0.0000 64.7538 31.4772 177.0616 111 R 3.8678 9.5572 119.3345 56.8664 27.6905 176.5352 112 G 3.8596 8.2237 103.8533 46.4684 0.0000 175.0679 113 V 3.9407 7.2861 112.2310 60.8571 32.2531 176.6588 114 R 4.4053 8.4043 119.3599 58.1782 31.1337 176.8461 115 V 4.8089 7.3888 116.5055 60.4430 34.2960 173.2481 116 E 4.9465 9.2205 123.3941 54.7245 33.4338 174.0573 117 V 4.8092 9.0132 125.7958 61.2201 34.8260 174.1399 118 A 5.4351 8.9386 129.1612 50.7779 22.6531 174.2747 119 C 5.0604 8.3689 112.9677 57.6005 33.9010 172.9005 120 V 4.7978 8.8811 118.5765 61.1050 34.2897 174.0980 121 A 5.3162 8.8621 128.1720 49.8566 23.1758 174.7730 122 L 4.4121 8.7795 119.4901 54.5044 42.4407 177.5963 123 A 4.2179 8.4873 125.5080 52.1195 19.9703 177.6168 124 E 4.0256 8.5883 117.2418 57.0775 29.2627 174.9733 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 4.42 0.00 2.10 1.94 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 2.30 2.35 0.00 3 A 8.76 4.48 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 4 V 8.80 4.38 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 0.79 0.00 0.00 0.98 0.00 0.00 5 K 8.54 4.92 0.00 1.73 1.60 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.38 7.81 6 T 9.42 4.68 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 1.26 0.00 0.00 7 D 8.60 4.62 0.00 2.75 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 8 R 7.88 4.18 0.00 1.83 1.97 0.00 3.12 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 9 A 7.34 4.74 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 10 P 0.00 4.16 0.00 2.11 2.08 0.00 3.73 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 2.09 2.28 0.00 11 A 8.60 3.97 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 12 A 8.04 4.30 0.75 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 13 I 9.20 4.04 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.65 0.93 0.00 0.00 14 G 7.83 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.64 0.00 2.24 2.14 0.00 3.94 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 2.08 1.99 0.00 16 Y 6.92 4.72 0.00 3.19 3.04 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 17 A 8.33 4.89 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 18 Q 8.63 4.45 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 19 A 7.68 5.12 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 20 V 9.05 4.89 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 0.98 0.00 0.00 0.99 0.00 0.00 21 K 9.09 5.18 0.00 1.69 1.79 0.00 1.92 0.00 0.00 1.97 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.44 7.81 22 A 9.74 4.46 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 23 G 10.16 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 0.00 0.00 0.00 24 G 8.56 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.14 5.29 0.00 2.85 2.41 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 26 V 8.83 4.72 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 1.11 0.00 0.00 0.96 0.00 0.00 27 F 9.62 4.81 0.00 3.01 3.04 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 28 V 8.76 4.76 2.25 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 1.03 0.00 0.00 1.00 0.00 0.00 29 S 9.05 4.42 0.00 3.99 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 30 G 8.48 3.85 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 0.00 0.00 0.00 31 Q 9.36 4.74 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 32 I 8.12 4.98 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.68 0.89 0.00 0.00 33 P 0.00 4.70 0.00 2.32 2.48 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 34 L 7.49 5.04 0.00 1.64 1.61 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.97 4.32 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 36 P 0.00 4.52 0.00 2.06 2.35 0.00 3.68 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 2.19 0.00 37 D 8.03 4.50 0.00 2.77 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 38 G 8.56 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.56 4.48 0.00 3.83 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 40 L 8.50 4.41 0.00 1.64 1.57 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.76 4.12 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 0.83 0.00 0.00 0.94 0.00 0.00 42 E 8.46 4.61 0.00 1.99 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 2.23 2.28 0.00 43 G 8.57 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 44 D 8.52 4.66 0.00 2.99 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 45 I 8.31 3.73 2.24 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 1.98 1.58 1.02 0.00 0.00 46 R 8.05 3.96 0.00 2.11 2.00 0.00 3.21 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 47 V 8.51 3.65 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 1.05 0.00 0.00 0.98 0.00 0.00 48 Q 8.19 4.06 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.73 0.00 49 T 8.20 4.01 4.35 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 1.27 0.00 0.00 50 E 7.98 4.01 0.00 2.16 2.17 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 2.40 2.52 0.00 51 R 7.69 4.06 0.00 2.00 2.07 0.00 3.20 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 52 V 7.52 3.62 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 1.09 0.00 0.00 1.09 0.00 0.00 *54 E 8.17 4.21 0.00 2.17 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 2.47 2.32 0.00 55 N 8.24 4.33 0.00 2.91 2.88 0.00 0.00 6.98 6.02 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 56 L 7.98 3.99 0.00 1.62 1.74 1.05 1.00 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 57 K 7.96 3.82 0.00 1.78 1.96 0.00 1.82 0.00 0.00 1.89 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.51 7.81 58 A 8.16 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.00 3.58 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 1.07 0.00 0.00 60 L 8.24 4.05 0.00 1.92 1.82 1.05 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.67 4.23 0.00 2.18 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 2.35 0.00 62 A 7.91 4.08 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 63 A 7.57 4.43 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.02 3.89 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 0.00 0.00 0.00 65 S 7.83 4.88 0.00 3.80 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 66 G 8.05 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 67 L 8.12 4.06 0.00 1.61 1.42 0.85 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.05 4.35 0.00 3.99 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 69 R 7.91 4.37 0.00 2.03 2.01 0.00 3.30 0.00 0.00 3.10 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 70 V 7.71 4.14 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 0.78 0.00 0.00 1.22 0.00 0.00 71 V 8.65 4.38 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 0.80 0.00 0.00 1.03 0.00 0.00 72 Q 7.71 5.09 0.00 2.03 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 73 T 8.98 5.07 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 1.00 0.00 0.00 74 T 9.00 4.67 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 0.95 0.00 0.00 75 C 8.71 5.04 0.00 2.47 2.36 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 76 F 9.05 5.20 0.00 2.89 2.81 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 77 L 8.85 5.15 0.00 1.31 1.33 -0.28 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.31 4.85 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 79 D 7.44 4.49 0.00 2.65 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 *81 E 8.72 4.37 0.00 2.18 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 0.00 2.32 2.30 0.00 82 D 8.22 4.73 0.00 2.91 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 83 F 8.57 4.03 0.00 3.06 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 84 P 0.00 4.43 0.00 2.22 2.16 0.00 3.85 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 85 G 8.16 3.67 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 0.00 0.00 0.00 86 F 8.56 4.21 0.00 3.02 3.22 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 87 N 8.60 4.01 0.00 2.97 2.81 0.00 0.00 6.73 7.20 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 88 E 7.96 3.91 0.00 2.00 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 0.00 2.35 2.34 0.00 89 V 7.65 3.80 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 1.16 0.00 0.00 1.07 0.00 0.00 90 Y 8.10 3.94 0.00 2.43 2.79 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 91 A 8.17 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.15 4.05 0.00 1.95 1.75 0.00 3.22 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.95 0.00 93 Y 7.90 4.04 0.00 2.49 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.12 4.81 0.00 2.96 3.09 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 95 T 8.25 4.75 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 1.21 0.00 0.00 96 P 0.00 3.75 0.00 1.84 1.75 0.00 3.43 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.11 0.00 97 P 0.00 4.29 0.00 2.17 2.03 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 98 Y 8.14 4.56 0.00 3.05 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.70 0.00 1.75 1.96 0.00 3.66 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 1.10 2.14 0.00 100 A 8.67 4.35 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 0.00 101 R 8.24 5.05 0.00 1.68 1.62 0.00 2.71 0.00 0.00 2.64 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.51 0.00 102 A 8.52 4.72 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 0.00 103 T 8.41 4.89 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 0.64 0.00 0.00 104 V 8.29 4.73 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 0.65 0.00 0.00 0.98 0.00 0.00 105 A 8.68 5.25 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 0.00 106 V 8.86 4.46 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 0.96 0.00 0.00 1.00 0.00 0.00 107 K 8.86 3.81 0.00 1.70 1.82 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 108 A 7.39 4.63 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.96 4.78 0.00 1.78 1.48 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.32 0.00 2.11 1.93 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 111 R 9.56 3.87 0.00 1.94 1.99 0.00 3.30 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 112 G 8.22 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 0.00 0.00 0.00 113 V 7.29 3.94 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 0.73 0.00 0.00 1.01 0.00 0.00 114 R 8.40 4.41 0.00 1.78 1.97 0.00 3.25 0.00 0.00 3.56 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 115 V 7.39 4.81 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 0.66 0.00 0.00 0.94 0.00 0.00 116 E 9.22 4.95 0.00 2.01 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 0.00 2.29 2.37 0.00 117 V 9.01 4.81 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 0.99 0.00 0.00 1.21 0.00 0.00 118 A 8.94 5.44 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 C 8.37 5.06 0.00 3.16 3.09 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 0.00 120 V 8.88 4.80 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 0.44 0.00 0.00 0.92 0.00 0.00 121 A 8.86 5.32 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 0.00 122 L 8.78 4.41 0.00 1.52 1.52 0.92 0.51 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 0.00 123 A 8.49 4.22 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.59 4.03 0.00 2.12 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 2.16 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.