NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5147 8.1633 120.6173 55.4310 34.5337 173.4654 2 K 4.9855 8.3470 120.7490 54.3383 35.0499 170.6037 3 V 4.9698 9.3063 117.6271 60.1883 37.4979 173.3608 4 I 4.7223 9.6564 123.9939 60.1270 38.3778 176.2096 5 L 4.7686 8.5888 127.8123 54.0988 42.9207 177.4154 6 L 4.3903 7.0142 116.5388 51.6947 42.8630 176.1672 7 E 5.8827 8.7916 133.5643 56.2189 30.4344 173.3048 8 P 4.2587 0.0000 0.0000 58.8042 34.3789 175.6495 9 L 4.9136 7.7440 120.8352 54.3088 41.9772 178.8569 10 E 4.5389 9.0992 128.6873 56.7219 32.4926 175.4583 11 N 4.1826 9.2089 126.8551 53.8957 39.4165 174.1750 12 L 4.7567 8.8960 118.5557 53.2751 43.3492 176.2763 13 G 3.8855 8.7439 108.5239 46.9043 0.0000 168.0733 14 D 4.2993 8.2066 126.8871 54.3045 37.9983 173.5388 15 V 3.2748 7.7305 117.4982 58.7250 33.7998 177.9223 16 G 3.4331 8.6330 106.4203 47.1293 0.0000 173.7125 17 Q 4.1853 8.6578 122.7085 55.9102 30.2569 174.8651 18 V 4.7770 8.3215 126.3908 61.9314 32.9846 175.2133 19 V 4.7196 8.5310 126.1702 60.1860 35.0688 173.3787 20 D 5.2067 8.6484 122.1743 54.0099 40.3491 175.5098 21 V 4.5532 9.0038 114.3795 60.0897 36.8669 174.1029 22 K 4.2110 8.6238 121.4124 55.6469 32.7961 176.3929 23 P 4.3526 0.0000 0.0000 65.8627 31.1502 178.7055 24 G 3.6816 8.1391 103.5944 48.1984 0.0000 174.6761 25 Y 4.2005 8.2392 121.9985 60.7393 38.7690 177.5722 26 A 4.0613 8.3016 121.8870 54.9721 18.3103 179.6324 27 R 3.9839 8.4324 116.9379 58.2681 30.3562 177.6972 28 N 4.9335 8.1811 113.3050 52.9438 38.9594 174.1080 29 Y 4.4118 6.8833 118.1568 57.3561 41.8460 176.5897 30 L 3.6816 7.5765 118.5917 57.8034 41.7970 179.3065 31 L 4.1710 7.7968 121.9336 56.9648 42.0649 177.9211 32 P 4.3390 0.0000 0.0000 65.8127 31.4502 178.6476 33 R 3.9933 7.2896 114.9471 58.7576 30.3265 177.6435 34 G 4.0642 7.8630 105.1869 45.3916 0.0000 175.0584 35 L 4.0658 7.7791 118.3959 55.9140 41.4514 175.8706 36 A 4.6700 7.1964 118.7592 51.5560 22.7316 175.2034 37 V 4.4464 8.6079 118.1846 60.8150 35.6573 174.4583 38 L 4.0387 8.6507 125.0082 54.5649 41.8243 178.4271 39 A 4.3943 8.3910 128.7310 51.7750 15.4672 177.3334 40 T 4.2514 7.5031 117.3648 60.5268 69.5187 174.7619 41 E 3.9532 8.8527 127.3975 59.8348 29.1783 178.7443 42 S 4.1244 8.2014 112.5900 61.9126 62.6931 175.7283 43 N 4.4888 7.9500 118.1356 56.0439 38.4439 176.8849 44 L 4.1581 9.4020 120.2114 56.8179 42.2698 177.7520 45 K 4.4979 7.5172 114.4236 57.2422 33.6828 177.1300 46 A 4.2814 8.4181 122.5859 54.2001 18.9599 179.2529 47 L 3.9252 7.7338 118.6452 58.3481 42.2515 178.5719 48 E 4.1364 8.2967 118.3347 58.5270 29.3177 177.3647 49 A 4.5342 7.2674 117.0982 52.3713 19.4839 178.0591 50 R 4.3199 8.0826 116.1838 57.2408 30.5394 176.5186 51 I 4.4065 7.4974 117.2286 62.1012 39.7722 176.7544 52 R 3.9365 8.0442 119.2424 58.1097 29.5590 177.0848 53 A 4.6814 7.8638 119.2720 52.0444 20.3054 175.4301 54 Q 4.2808 9.8265 116.0850 56.8548 31.1026 176.8808 55 A 4.0333 8.2098 118.7412 54.9828 18.3822 179.0640 56 K 4.1141 7.9046 116.4130 59.7433 33.1567 178.8120 57 R 3.9209 8.0490 118.4989 59.3209 29.9582 177.4765 58 L 4.0800 8.0828 119.7542 57.8307 42.0500 178.2868 59 A 4.1342 8.2659 119.0537 53.5135 18.2588 178.6794 60 E 3.9809 8.0889 119.2405 58.7345 30.0698 179.5761 61 R 4.5651 7.7586 117.0775 56.0043 29.9856 177.1243 62 K 4.4550 7.7101 117.9908 58.0193 35.7529 177.3742 63 A 4.1856 8.4030 120.9660 54.0216 18.5130 177.9510 64 E 4.9256 8.0083 114.6191 56.2967 29.9947 176.6380 65 A 4.5648 7.8834 122.2390 53.9383 21.1820 179.3734 66 E 3.8463 8.2864 114.5914 58.9178 29.8566 178.0344 67 R 4.9132 6.8588 117.8239 55.0530 30.2718 175.5685 68 L 4.4363 7.2828 120.3130 55.2081 46.1315 174.6609 69 K 4.1363 8.6541 120.9614 59.3720 32.8080 176.7603 70 E 4.8207 7.3919 117.2644 54.3112 28.3140 176.2542 71 I 4.5948 7.1449 106.5242 61.2134 41.9697 176.1434 72 L 4.5801 7.7159 119.0554 55.7881 44.4455 177.6035 73 E 4.2698 8.2380 117.4631 57.6623 29.5329 176.3887 74 N 5.0703 7.8862 113.9711 53.0158 38.0831 173.2963 75 L 4.9182 7.8100 117.1145 54.0281 45.6825 175.8448 76 T 5.5333 8.0455 114.0640 61.2219 72.3380 174.3049 77 L 4.7202 8.6563 126.6699 56.6464 42.4696 174.1189 78 T 3.9595 7.7094 121.2188 63.0011 65.8360 171.2450 79 I 4.3065 7.8062 128.0947 58.8028 38.9333 173.7406 80 P 4.9338 0.0000 0.0000 62.3571 29.7058 174.5620 81 V 4.1409 7.8617 127.2716 60.2502 33.5785 177.0790 82 R 4.4107 8.4461 126.0082 55.8813 27.7766 174.1114 83 A 4.7457 7.6931 123.6682 50.6455 22.4740 177.7211 84 G 3.9244 7.4402 107.0615 44.2834 0.0000 172.7137 85 E 4.2366 9.4811 121.5006 57.0575 29.6099 173.4581 86 T 4.6834 6.5518 114.3432 63.8278 76.4400 173.2387 87 K 4.0130 8.0229 120.7529 57.4095 33.9044 175.5307 88 I 4.3100 8.2103 128.4381 59.9634 38.0470 176.4584 89 Y 4.2137 8.4035 125.8572 60.1316 38.3623 177.1297 90 G 4.1698 7.5603 110.0402 44.6959 0.0000 171.2580 91 S 4.3750 8.0473 109.5442 58.2843 64.9570 172.6736 92 V 3.7086 7.5890 128.3728 60.9402 29.1551 171.4951 93 T 4.8518 9.9938 119.5335 60.5682 71.5193 175.0586 94 A 4.0319 8.5504 121.4999 55.9227 17.9802 179.7764 95 K 3.5667 8.1915 116.2154 60.2283 32.1661 178.7158 96 D 4.3872 7.8179 118.4434 57.3172 40.5859 178.5144 97 I 3.6765 8.4241 120.7089 64.5760 37.4514 177.8795 98 A 4.0687 8.9292 122.5655 55.4850 18.1381 179.3497 99 E 3.8642 7.9625 116.1269 59.1606 29.6466 178.4518 100 A 4.1204 7.7010 117.5093 53.5530 18.6020 177.9360 101 L 4.3324 7.7406 119.0549 56.3158 42.8104 178.3877 102 S 4.5710 8.1621 116.9617 61.1245 62.6417 175.5167 103 R 4.0283 8.1623 120.8560 58.0164 29.4556 178.2057 104 Q 3.7967 8.0169 119.7629 59.6431 29.5240 178.4865 105 H 4.8792 8.0039 110.0641 54.6026 30.1535 174.0651 106 G 4.3794 7.5335 107.4662 45.5850 0.0000 174.1494 107 V 4.4250 7.7806 117.1505 61.0158 35.2167 175.1165 108 T 4.4062 8.0928 115.7180 61.4581 70.8882 173.2153 109 I 3.9828 7.4546 118.7664 61.2589 40.2572 173.9430 110 D 4.7483 8.4194 126.2061 51.8172 39.1610 175.2736 111 P 3.9395 0.0000 0.0000 65.8312 31.2086 179.0978 112 K 4.1517 8.0026 116.1238 58.3851 32.1626 177.6743 113 R 4.2724 9.0262 118.5736 56.6351 30.6981 176.1474 114 L 4.6038 7.6963 118.9408 53.8711 42.2936 177.6902 115 A 4.0523 8.2430 125.3480 53.4476 18.4519 177.3342 116 L 3.9888 7.9641 119.3151 55.2541 41.9004 176.2317 117 E 4.5113 8.2918 123.1899 55.1611 30.1484 175.5237 118 K 4.1105 7.8256 116.4012 55.2725 34.7869 172.2053 119 P 4.2241 0.0000 0.0000 62.3244 32.3146 176.0227 120 I 3.8645 8.0790 119.1189 63.4710 37.5097 177.8314 121 K 3.8618 7.9631 118.6312 56.5157 31.0041 173.3480 122 E 5.0123 7.6254 112.6382 56.4835 33.4628 174.8747 123 L 4.6844 9.1649 120.3109 51.8554 44.4032 177.3918 124 G 3.5642 6.3701 107.7235 45.9152 0.0000 169.6908 125 E 4.6382 7.6548 118.9342 54.8492 31.6118 174.9964 126 Y 5.1615 8.9753 122.4302 56.2923 41.7883 175.0927 127 V 5.3628 8.3253 123.8060 59.4725 31.1997 174.7265 128 L 4.2517 8.1129 124.6181 54.9619 43.3970 176.5480 129 T 4.7092 8.3829 117.1348 63.5064 70.9869 173.8961 130 Y 5.0437 8.4559 123.7848 56.5224 41.1435 174.3108 131 K 3.9227 7.9577 127.1738 56.0450 32.9673 174.2093 132 P 4.5779 0.0000 0.0000 61.4454 34.2617 177.9428 133 H 3.7909 8.2048 114.6796 55.1741 29.6089 175.3323 134 P 4.1444 0.0000 0.0000 63.2393 31.1311 175.7356 135 E 4.6499 8.7423 123.1103 55.3082 31.6545 175.9851 136 V 4.4362 7.9979 118.7319 60.6941 34.4256 171.1479 137 P 5.0940 0.0000 0.0000 61.8106 32.4202 175.5320 138 I 4.0613 8.6210 127.1349 60.3187 38.6473 175.2397 139 Q 4.3470 8.8088 129.1630 55.8666 29.8274 173.9883 140 L 4.9944 9.6500 130.6315 53.0720 45.2231 175.1123 141 K 4.7928 8.4283 125.5798 53.4406 34.8645 175.6455 142 V 3.8744 7.9766 126.4404 63.3126 32.1845 175.5956 143 S 4.1924 8.6903 126.7860 58.2539 64.1153 171.5643 144 V 4.2518 8.3526 113.0659 58.5517 33.9292 180.5067 145 V 2.7192 7.6089 122.3753 63.7840 32.4613 173.4490 *146 A 4.1219 8.3656 120.3689 52.7295 18.7144 176.6792 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 M 8.16 4.51 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 2 K 8.35 4.99 0.00 1.78 1.68 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.49 7.81 3 V 9.31 4.97 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 0.84 0.00 0.00 1.03 0.00 0.00 4 I 9.66 4.72 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 1.23 0.79 0.91 0.00 0.00 5 L 8.59 4.77 0.00 1.56 1.64 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.01 4.39 0.00 1.55 1.59 1.00 0.83 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 7 E 8.79 5.88 0.00 2.03 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 2.07 2.05 0.00 8 P 0.00 4.26 0.00 2.13 1.99 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.23 0.00 9 L 7.74 4.91 0.00 1.95 0.91 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 9.10 4.54 0.00 1.88 1.73 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 2.21 2.39 0.00 11 N 9.21 4.18 0.00 2.86 2.91 0.00 0.00 6.87 7.78 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 12 L 8.90 4.76 0.00 1.71 1.70 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.74 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 14 D 8.21 4.30 0.00 2.86 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 15 V 7.73 3.27 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 0.84 0.00 0.00 0.93 0.00 0.00 16 G 8.63 3.43 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 0.00 0.00 0.00 17 Q 8.66 4.19 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 18 V 8.32 4.78 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 0.88 0.00 0.00 0.94 0.00 0.00 19 V 8.53 4.72 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 0.65 0.00 0.00 0.94 0.00 0.00 20 D 8.65 5.21 0.00 2.69 2.72 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 0.00 0.00 0.00 21 V 9.00 4.55 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 0.72 0.00 0.00 1.08 0.00 0.00 22 K 8.62 4.21 0.00 1.86 1.78 0.00 1.59 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.53 7.81 23 P 0.00 4.35 0.00 2.17 2.16 0.00 3.63 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 24 G 8.14 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 25 Y 8.24 4.20 0.00 2.93 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 26 A 8.30 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 27 R 8.43 3.98 0.00 1.87 2.03 0.00 3.13 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 28 N 8.18 4.93 0.00 2.82 2.83 0.00 0.00 6.69 8.24 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 29 Y 6.88 4.41 0.00 2.67 2.31 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 30 L 7.58 3.68 0.00 1.70 1.58 1.12 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.80 4.17 0.00 1.78 1.73 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.34 0.00 1.90 2.05 0.00 3.61 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.19 0.00 33 R 7.29 3.99 0.00 1.52 1.79 0.00 2.21 0.00 0.00 2.85 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.38 0.00 34 G 7.86 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 35 L 7.78 4.07 0.00 1.54 1.69 0.80 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.20 4.67 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 37 V 8.61 4.45 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 0.92 0.00 0.00 38 L 8.65 4.04 0.00 1.57 1.62 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.39 4.39 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 40 T 7.50 4.25 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 1.31 0.00 0.00 41 E 8.85 3.95 0.00 2.07 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 2.38 2.39 0.00 42 S 8.20 4.12 0.00 3.88 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 43 N 7.95 4.49 0.00 2.77 2.84 0.00 0.00 6.54 6.74 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 44 L 9.40 4.16 0.00 1.74 1.67 0.92 0.58 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 45 K 7.52 4.50 0.00 2.03 1.86 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.72 1.40 7.81 46 A 8.42 4.28 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 47 L 7.73 3.93 0.00 1.77 1.67 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.30 4.14 0.00 2.22 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 2.38 2.33 0.00 49 A 7.27 4.53 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 50 R 8.08 4.32 0.00 1.87 1.97 0.00 3.10 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.97 0.00 51 I 7.50 4.41 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 1.91 1.27 0.91 0.00 0.00 52 R 8.04 3.94 0.00 1.86 2.07 0.00 3.05 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.76 0.00 53 A 7.86 4.68 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 54 Q 9.83 4.28 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.64 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 55 A 8.21 4.03 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 56 K 7.90 4.11 0.00 1.99 2.06 0.00 1.54 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.48 7.81 57 R 8.05 3.92 0.00 1.94 2.18 0.00 3.24 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 58 L 8.08 4.08 0.00 1.75 1.79 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.27 4.13 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 60 E 8.09 3.98 0.00 2.09 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 2.29 2.39 0.00 61 R 7.76 4.57 0.00 1.82 1.94 0.00 3.27 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 62 K 7.71 4.46 0.00 1.76 1.74 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.32 7.81 63 A 8.40 4.19 1.37 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 0.00 0.00 64 E 8.01 4.93 0.00 2.12 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 2.59 2.57 0.00 65 A 7.88 4.56 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 66 E 8.29 3.85 0.00 2.18 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 2.42 2.30 0.00 67 R 6.86 4.91 0.00 1.85 1.92 0.00 3.45 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 68 L 7.28 4.44 0.00 1.57 1.80 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.65 4.14 0.00 1.88 1.90 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.39 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.44 7.81 70 E 7.39 4.82 0.00 2.11 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 2.32 2.22 0.00 71 I 7.14 4.59 1.86 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 1.51 0.39 0.92 0.00 0.00 72 L 7.72 4.58 0.00 1.68 1.65 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.24 4.27 0.00 2.27 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 2.34 2.27 0.00 74 N 7.89 5.07 0.00 2.78 2.80 0.00 0.00 5.87 7.79 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 75 L 7.81 4.92 0.00 1.53 1.49 0.85 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.05 5.53 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 1.26 0.00 0.00 77 L 8.66 4.72 0.00 1.59 1.67 0.93 1.05 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 78 T 7.71 3.96 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 1.19 0.00 0.00 79 I 7.81 4.31 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 1.40 0.90 0.92 0.00 0.00 80 P 0.00 4.93 0.00 2.07 2.09 0.00 3.74 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 1.98 1.95 0.00 81 V 7.86 4.14 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 0.98 0.00 0.00 82 R 8.45 4.41 0.00 1.80 1.97 0.00 3.24 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 83 A 7.69 4.75 1.22 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 84 G 7.44 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 85 E 9.48 4.24 0.00 2.12 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 0.00 2.15 2.25 0.00 86 T 6.55 4.68 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 1.27 0.00 0.00 87 K 8.02 4.01 0.00 1.79 1.53 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.44 7.81 88 I 8.21 4.31 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.38 0.94 0.00 0.00 89 Y 8.40 4.21 0.00 2.88 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 90 G 7.56 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 91 S 8.05 4.38 0.00 3.97 4.02 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 0.00 0.00 0.00 92 V 7.59 3.71 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 0.85 0.00 0.00 0.97 0.00 0.00 93 T 9.99 4.85 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 94 A 8.55 4.03 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 95 K 8.19 3.57 0.00 1.85 1.91 0.00 1.57 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.63 7.81 96 D 7.82 4.39 0.00 2.97 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 97 I 8.42 3.68 1.96 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 1.47 0.78 0.87 0.00 0.00 98 A 8.93 4.07 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 99 E 7.96 3.86 0.00 2.07 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 2.30 2.32 0.00 100 A 7.70 4.12 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 0.00 101 L 7.74 4.33 0.00 1.95 1.83 0.91 1.02 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 0.00 102 S 8.16 4.57 0.00 4.01 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 0.00 103 R 8.16 4.03 0.00 1.82 1.79 0.00 3.13 0.00 0.00 3.25 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 104 Q 8.02 3.80 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.79 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 105 H 8.00 4.88 0.00 3.16 3.25 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.53 4.38 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 0.00 107 V 7.78 4.43 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 1.02 0.00 0.00 0.98 0.00 0.00 108 T 8.09 4.41 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 1.22 0.00 0.00 109 I 7.45 3.98 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.28 0.87 0.00 0.00 110 D 8.42 4.75 0.00 2.91 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 0.00 111 P 0.00 3.94 0.00 2.23 2.37 0.00 3.73 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 2.11 2.05 0.00 112 K 8.00 4.15 0.00 1.77 1.93 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.54 7.81 113 R 9.03 4.27 0.00 2.24 1.77 0.00 2.96 0.00 0.00 2.79 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 114 L 7.70 4.60 0.00 1.83 1.62 0.90 0.58 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 0.00 115 A 8.24 4.05 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 0.00 116 L 7.96 3.99 0.00 1.59 1.62 0.88 0.79 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 0.00 117 E 8.29 4.51 0.00 2.06 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 2.17 2.30 0.00 118 K 7.83 4.11 0.00 1.65 1.63 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.17 1.26 7.81 119 P 0.00 4.22 0.00 2.22 2.09 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 120 I 8.08 3.86 2.14 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.64 1.23 0.00 0.00 121 K 7.96 3.86 0.00 1.78 1.80 0.00 2.13 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.37 1.52 7.81 122 E 7.63 5.01 0.00 2.20 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 2.20 2.23 0.00 123 L 9.16 4.68 0.00 1.57 1.50 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 124 G 6.37 3.56 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 0.00 0.00 0.00 125 E 7.65 4.64 0.00 1.83 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 0.00 2.21 2.20 0.00 126 Y 8.98 5.16 0.00 2.94 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 0.00 127 V 8.33 5.36 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 0.81 0.00 0.00 0.97 0.00 0.00 128 L 8.11 4.25 0.00 1.63 1.61 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.38 4.71 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 0.00 130 Y 8.46 5.04 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 3.92 0.00 1.41 1.62 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.36 7.81 132 P 0.00 4.58 0.00 1.90 1.85 0.00 3.58 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.73 0.00 133 H 8.20 3.79 0.00 3.33 2.82 0.00 5.55 0.00 0.00 0.00 0.00 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.14 0.00 2.10 2.08 0.00 3.80 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 2.05 2.14 0.00 135 E 8.74 4.65 0.00 1.84 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 2.27 2.27 0.00 136 V 8.00 4.44 2.15 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 1.00 0.00 0.00 1.08 0.00 0.00 137 P 0.00 5.09 0.00 2.13 2.15 0.00 4.04 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 1.98 2.01 0.00 138 I 8.62 4.06 1.81 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.55 0.87 0.00 0.00 139 Q 8.81 4.35 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 140 L 9.65 4.99 0.00 1.67 1.65 0.94 0.52 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 0.00 141 K 8.43 4.79 0.00 1.67 1.86 0.00 1.98 0.00 0.00 1.87 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.20 7.81 142 V 7.98 3.87 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 0.95 0.00 0.00 0.90 0.00 0.00 143 S 8.69 4.19 0.00 3.85 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 0.00 144 V 8.35 4.25 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 1.01 0.00 0.00 0.91 0.00 0.00 145 V 7.61 2.72 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 0.80 0.00 0.00 0.93 0.00 0.00 *146 A 8.37 4.12 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 * Residues marked with a * may have inaccurate shift predictions.