NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3299 8.3344 115.2897 57.3376 64.1999 172.8621 3 L 4.4072 7.6207 120.8132 53.1330 43.7985 174.1747 4 I 3.7955 9.0798 129.3589 60.3001 38.3104 173.6425 5 P 4.0919 0.0000 0.0000 62.4755 31.4258 175.6679 6 K 4.6325 7.7383 124.0783 54.6123 35.8619 174.8198 7 F 5.6608 8.9665 124.2434 55.8028 43.1368 173.7368 8 R 5.2204 8.9123 116.1521 54.4813 33.3203 173.6678 9 A 5.1361 8.9321 121.3238 49.9867 22.2234 175.4315 10 W 4.6547 9.1073 132.9230 56.6716 32.4194 174.6994 11 D 4.5928 8.4128 128.7595 53.2648 41.0610 176.6690 12 T 3.7708 8.5402 117.5978 63.4697 69.5952 176.3067 13 Y 4.0939 7.7462 123.7171 60.3771 39.1167 176.5645 14 E 3.6449 8.1344 117.6677 57.0632 30.3469 176.9650 15 K 3.0731 7.2462 117.4106 56.9300 30.7531 173.2856 16 E 4.2079 5.9000 124.9947 55.2549 33.7978 177.1065 *18 L 4.3839 8.5271 116.7876 54.5738 43.2249 175.5838 19 E 4.7194 8.8567 122.1298 54.6304 31.9230 175.1181 20 N 4.2474 8.4340 116.1233 54.6694 36.1403 174.5169 21 V 4.5142 7.7334 109.5102 60.6317 34.3850 177.7254 22 T 4.7054 8.7705 119.6068 61.2602 70.7754 171.8709 23 P 4.8117 0.0000 0.0000 62.1448 32.8717 175.5201 24 L 4.8176 8.5494 121.7635 53.0007 44.7712 175.3709 25 F 4.8921 8.8471 122.0319 55.5539 41.9430 175.3822 26 D 4.7479 8.9438 123.0464 52.2667 40.8373 176.9161 27 D 4.4250 8.5378 118.2777 57.1609 40.7425 177.8172 28 S 4.2888 8.1551 111.3976 58.3874 63.3645 173.6249 29 N 4.5696 8.4773 118.9700 55.1355 38.7636 174.3879 30 S 4.8072 7.7694 114.6905 58.2261 62.0322 177.9517 *32 I 3.7172 8.4883 132.5897 61.6538 39.9352 172.7793 33 A 4.8874 7.3198 121.7945 51.3313 23.3653 174.8549 34 I 4.8399 8.9726 118.9222 59.7570 42.0216 173.5979 35 I 4.8289 8.9390 130.6797 60.2610 38.3579 176.1125 36 T 4.4441 8.8348 117.4509 62.1228 69.9650 174.4467 37 D 4.8527 7.9986 121.5292 53.2906 44.6165 173.7720 38 F 5.2602 8.2888 119.2326 55.9529 41.1581 173.1445 39 Q 4.5973 9.5120 118.3641 54.2849 33.2887 174.6626 40 I 4.7683 8.3992 122.0723 60.1810 37.9211 175.6537 41 K 4.3838 8.8893 129.4417 54.3046 33.1867 175.4104 42 G 4.3532 7.8965 114.9732 44.3408 0.0000 171.3662 43 S 4.6133 7.7495 107.3146 57.3042 64.0649 172.9483 44 P 4.6929 0.0000 0.0000 62.3284 32.8389 177.0507 45 G 4.0602 8.0752 106.2194 45.4005 0.0000 174.2590 46 T 4.5143 7.2985 110.7381 59.4687 68.5117 173.3549 47 S 4.8489 7.9633 124.0437 58.3082 65.2712 173.6969 48 E 4.7208 8.1115 121.0034 54.7283 33.5273 174.0973 49 I 4.5721 8.3297 125.4875 60.0969 38.4386 175.3114 50 E 4.3965 9.4090 130.8567 54.6484 30.2187 175.1135 51 I 4.2082 8.3981 128.9057 61.5294 37.1227 176.2493 52 G 4.0725 9.1843 114.4491 46.3882 0.0000 173.9397 53 S 5.0448 7.9531 114.5324 57.1350 66.0654 172.6387 54 Y 5.3474 8.3370 123.3368 57.0889 40.7491 172.2873 55 D 4.7780 9.1610 117.9920 53.7662 45.3462 173.7801 56 T 5.0282 8.5527 111.4879 60.0321 72.2656 174.7862 57 T 3.4680 7.6776 112.5817 63.4484 68.7654 175.4888 58 F 4.7051 7.2298 119.8711 59.3706 39.2157 175.9363 59 N 4.7192 8.1634 116.6895 53.1079 38.7322 174.8694 60 W 5.0994 7.6238 117.0837 54.8489 33.4118 174.7092 61 D 4.3897 9.1313 121.3378 56.8869 40.9445 176.0160 62 E 4.5448 8.0632 121.3534 53.6730 30.7097 174.9796 63 F 4.1792 8.9922 129.4582 58.4805 39.7517 172.3983 64 P 4.4229 0.0000 0.0000 62.5124 32.2348 174.4337 65 Y 4.9152 7.1232 116.8228 56.9541 40.7164 175.3516 66 V 4.3727 8.6843 123.3779 61.3815 34.2365 175.4314 67 I 5.1361 8.2803 128.7452 59.4873 39.5962 174.4953 *69 Q 4.2893 8.3025 122.4933 56.1500 30.2979 174.3052 70 S 3.6130 8.2874 120.6737 57.9651 62.4634 174.5428 71 T 2.6519 8.0642 116.8767 62.0845 68.8075 175.9147 72 G 3.7376 7.7015 110.0887 45.3770 0.0000 173.2169 73 L 4.6967 7.3525 119.5030 52.7347 44.0524 175.5296 74 K 4.9838 8.4843 119.7383 54.4720 35.0991 176.4056 75 D 4.8203 8.6538 121.7875 52.1564 40.8989 177.1044 76 K 3.9634 8.6399 119.7762 59.2485 32.0772 177.0611 77 N 4.6908 8.4516 114.3341 52.8656 38.4789 175.5342 78 G 3.8723 8.2501 105.7542 45.7635 0.0000 173.8545 79 V 3.9828 8.1853 121.0730 61.7476 32.6128 175.1311 80 E 4.4265 8.9632 129.5568 56.5524 30.4536 175.6178 81 I 4.6904 8.6443 128.0674 60.1897 39.0957 174.9558 82 F 5.0729 9.6098 125.5807 54.9294 42.6293 174.9041 83 E 4.2133 8.5569 119.9062 58.8060 29.9171 178.2560 84 G 4.0030 9.3377 112.2451 45.1516 0.0000 173.2640 85 D 5.0400 7.9626 119.5779 54.6360 42.4662 175.4465 86 I 4.9710 8.8895 121.7341 59.7010 39.9970 174.7265 87 L 5.5229 9.1230 127.2970 53.1668 44.4446 176.3982 88 V 4.9108 8.8329 114.3507 59.5927 36.0091 174.2516 89 Y 3.7047 8.5074 124.6495 56.6392 39.2630 175.1699 90 D 4.6155 7.5611 129.3389 53.8335 40.1339 176.4751 91 A 4.5908 7.1971 119.6097 50.5750 19.5286 176.2670 92 P 4.1987 0.0000 0.0000 62.4934 31.8359 177.0838 93 K 3.9753 8.4046 120.6434 56.7422 30.8977 176.5971 94 K 4.2269 8.5315 124.1175 55.5127 32.2585 176.5285 95 Y 3.8215 8.4763 123.8907 58.6083 39.4447 175.8837 96 A 3.0983 8.3665 129.7791 52.2493 15.1200 176.9590 97 H 4.8360 7.0311 114.8794 53.8741 31.9880 174.2848 98 R 4.1251 8.3458 121.8060 55.9074 30.7344 176.5574 99 R 4.1678 8.2920 120.9194 55.6265 30.9046 177.6416 100 S 4.1284 8.2374 116.6698 58.2388 64.2033 172.4523 *102 H 4.6460 8.4784 116.4159 55.9851 29.8850 172.7332 103 E 4.7073 8.8422 124.9257 55.9833 31.3035 175.1120 104 I 4.5360 8.6667 126.9878 60.2058 39.0383 174.8081 105 A 4.8879 8.1189 127.3281 50.4684 23.3178 173.5952 106 Y 5.0565 8.1673 118.8881 56.0429 41.9041 174.4641 107 A 4.2943 8.7355 126.0444 52.5071 22.6779 175.7154 108 D 4.5353 9.8121 119.6706 55.3968 39.5361 174.5898 109 G 4.0957 9.0365 105.6043 44.8929 0.0000 174.1342 110 R 4.5884 6.8320 114.7106 54.1976 32.6126 174.3187 111 F 5.0918 8.6776 118.6673 57.7385 39.9588 174.6054 112 F 4.8347 8.7781 116.8590 55.3256 41.7833 172.6744 113 W 5.0676 8.4857 116.5861 54.7781 29.8118 175.6751 114 E 4.1835 9.1600 123.5102 56.6068 29.9802 176.4346 115 F 3.9135 8.4196 119.3366 58.5598 36.0569 174.9924 116 L 4.6654 7.6463 120.4934 52.8896 44.8543 176.5777 117 D 4.1437 8.7681 124.8909 55.6179 39.6351 176.5422 118 L 4.5477 6.9941 119.3036 53.2445 42.8537 176.5774 119 V 3.7068 8.2888 121.6959 62.7340 31.8836 175.5519 120 F 3.3632 8.7269 130.0325 57.9701 38.8797 174.1646 121 C 4.1926 7.2744 122.1517 55.6711 33.4060 174.2877 122 Q 3.7230 8.2847 121.7115 59.3817 28.5012 178.5570 123 S 4.1687 7.8832 114.6807 61.5970 62.8492 176.0554 124 N 4.5311 8.0016 118.7569 56.0998 38.6243 176.8007 125 I 4.2876 7.8683 121.3516 64.1787 37.0257 177.6430 126 L 4.5547 7.5955 116.7207 54.3278 42.6559 176.5573 127 Y 4.5144 7.7909 121.4727 58.9180 40.5490 175.4293 128 R 3.5009 8.1186 125.5177 57.5214 29.7753 179.3427 129 D 4.1400 8.5745 130.5225 56.0505 40.8502 177.2536 130 G 4.4680 8.2312 105.3319 45.4843 0.0000 171.4012 131 Y 5.0628 8.9605 116.3904 56.1985 40.6075 175.3032 132 L 5.3371 8.9677 122.2844 52.6800 45.8596 176.0900 133 V 4.3506 9.3609 123.9174 63.0477 31.6978 175.8679 134 I 4.3813 9.9947 120.5998 59.7110 38.6313 175.6158 135 G 3.9353 6.9420 108.8242 45.9252 0.0000 170.4798 136 N 5.3587 8.3005 116.0650 50.8392 40.4471 175.4330 137 I 3.6988 8.2834 111.8004 63.3528 37.9185 177.8638 138 H 3.9574 7.7760 117.4454 57.7886 29.1742 176.4886 139 E 3.4355 7.3982 117.1171 58.4475 30.1007 177.2540 140 N 5.0181 7.6698 115.2554 51.2084 38.8252 173.6890 141 P 4.5788 0.0000 0.0000 64.3231 32.1310 177.6653 142 E 4.5442 7.8131 116.4909 55.9241 30.2003 176.4354 143 L 4.0451 7.9782 122.8685 57.9759 42.3631 176.8670 144 L 4.1539 7.7281 121.3729 54.9839 41.6066 176.6317 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 S 8.33 4.33 0.00 3.84 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 3 L 7.62 4.41 0.00 1.68 1.52 0.91 0.90 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 4 I 9.08 3.80 1.81 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 1.40 0.62 0.88 0.00 0.00 5 P 0.00 4.09 0.00 2.13 2.09 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 6 K 7.74 4.63 0.00 1.67 1.34 0.00 1.95 0.00 0.00 1.98 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.53 7.81 7 F 8.97 5.66 0.00 3.32 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 8 R 8.91 5.22 0.00 1.83 1.57 0.00 2.42 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.49 0.00 9 A 8.93 5.14 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 10 W 9.11 4.65 0.00 3.29 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 11 D 8.41 4.59 0.00 2.49 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 0.00 0.00 0.00 12 T 8.54 3.77 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 1.26 0.00 0.00 13 Y 7.75 4.09 0.00 2.73 2.88 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 14 E 8.13 3.64 0.00 1.76 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.29 0.00 15 K 7.25 3.07 0.00 1.72 1.83 0.00 1.54 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.66 7.81 16 E 5.90 4.21 0.00 1.87 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 *18 L 8.53 4.38 0.00 1.66 1.68 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.86 4.72 0.00 1.86 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 2.22 2.26 0.00 20 N 8.43 4.25 0.00 2.89 2.93 0.00 0.00 6.91 7.68 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 21 V 7.73 4.51 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 0.77 0.00 0.00 1.01 0.00 0.00 22 T 8.77 4.71 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 1.20 0.00 0.00 23 P 0.00 4.81 0.00 1.89 1.81 0.00 3.47 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.03 0.00 24 L 8.55 4.82 0.00 1.57 1.49 0.87 1.25 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 25 F 8.85 4.89 0.00 2.86 2.94 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 26 D 8.94 4.75 0.00 2.90 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 27 D 8.54 4.43 0.00 2.69 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 28 S 8.16 4.29 0.00 4.00 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 29 N 8.48 4.57 0.00 2.87 2.99 0.00 0.00 7.03 7.21 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 30 S 7.77 4.81 0.00 4.08 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 *32 I 8.49 3.72 1.68 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.10 0.79 0.00 0.00 33 A 7.32 4.89 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 34 I 8.97 4.84 1.69 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.44 0.45 0.00 0.00 35 I 8.94 4.83 1.90 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.62 1.15 0.00 0.00 36 T 8.83 4.44 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 1.13 0.00 0.00 37 D 8.00 4.85 0.00 2.81 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 38 F 8.29 5.26 0.00 3.11 2.96 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 39 Q 9.51 4.60 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 40 I 8.40 4.77 1.96 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.51 0.96 0.00 0.00 41 K 8.89 4.38 0.00 1.79 1.66 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.51 7.81 42 G 7.90 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 0.00 0.00 0.00 0.00 43 S 7.75 4.61 0.00 3.80 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 44 P 0.00 4.69 0.00 2.20 2.14 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 45 G 8.08 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 46 T 7.30 4.51 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 47 S 7.96 4.85 0.00 4.02 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 48 E 8.11 4.72 0.00 2.19 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 2.20 2.28 0.00 49 I 8.33 4.57 1.83 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 1.20 0.69 0.83 0.00 0.00 50 E 9.41 4.40 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 51 I 8.40 4.21 1.74 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.59 0.90 0.00 0.00 52 G 9.18 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 53 S 7.95 5.04 0.00 3.93 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 54 Y 8.34 5.35 0.00 3.14 2.89 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 55 D 9.16 4.78 0.00 2.73 2.62 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 56 T 8.55 5.03 4.11 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 0.00 0.00 1.45 0.00 0.00 57 T 7.68 3.47 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 0.32 0.00 0.00 58 F 7.23 4.71 0.00 3.14 3.07 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 59 N 8.16 4.72 0.00 3.18 2.65 0.00 0.00 6.72 7.80 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 60 W 7.62 5.10 0.00 3.38 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 61 D 9.13 4.39 0.00 2.70 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 62 E 8.06 4.54 0.00 2.00 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 2.15 2.28 0.00 63 F 8.99 4.18 0.00 2.85 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 64 P 0.00 4.42 0.00 1.16 1.31 0.00 2.20 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 65 Y 7.12 4.92 0.00 2.29 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 66 V 8.68 4.37 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 1.09 0.00 0.00 0.96 0.00 0.00 67 I 8.28 5.14 1.99 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 1.24 1.49 1.01 0.00 0.00 *69 Q 8.30 4.29 0.00 2.42 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.10 0.00 0.00 0.00 0.00 0.00 2.13 1.82 0.00 70 S 8.29 3.61 0.00 2.72 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.06 2.65 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 0.60 0.00 0.00 72 G 7.70 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 73 L 7.35 4.70 0.00 1.48 1.29 0.22 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.48 4.98 0.00 1.69 1.68 0.00 1.68 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.28 7.81 75 D 8.65 4.82 0.00 3.27 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 76 K 8.64 3.96 0.00 1.91 1.92 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.22 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.62 1.47 7.81 77 N 8.45 4.69 0.00 2.88 2.83 0.00 0.00 6.95 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.25 3.87 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 0.00 0.00 0.00 79 V 8.19 3.98 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 1.06 0.00 0.00 0.97 0.00 0.00 80 E 8.96 4.43 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.19 0.00 81 I 8.64 4.69 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 1.01 0.00 0.00 82 F 9.61 5.07 0.00 2.84 2.94 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 83 E 8.56 4.21 0.00 2.14 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 2.68 2.78 0.00 84 G 9.34 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 85 D 7.96 5.04 0.00 2.83 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 86 I 8.89 4.97 1.89 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 1.23 0.79 0.94 0.00 0.00 87 L 9.12 5.52 0.00 1.78 2.00 1.08 1.20 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 88 V 8.83 4.91 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 0.76 0.00 0.00 0.95 0.00 0.00 89 Y 8.51 3.70 0.00 2.29 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 90 D 7.56 4.62 0.00 2.46 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 91 A 7.20 4.59 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 92 P 0.00 4.20 0.00 2.05 2.00 0.00 3.67 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 2.01 2.08 0.00 93 K 8.40 3.98 0.00 1.74 1.80 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.39 7.81 94 K 8.53 4.23 0.00 1.95 1.89 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.42 7.81 95 Y 8.48 3.82 0.00 2.85 2.90 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 96 A 8.37 3.10 0.27 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 0.00 0.00 0.00 97 H 7.03 4.84 0.00 3.13 3.20 0.00 5.73 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 98 R 8.35 4.13 0.00 1.79 1.87 0.00 3.16 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 99 R 8.29 4.17 0.00 1.80 1.88 0.00 3.19 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 100 S 8.24 4.13 0.00 3.90 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 *102 H 8.48 4.65 0.00 3.25 3.52 0.00 5.61 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.84 4.71 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 104 I 8.67 4.54 1.91 0.00 0.00 0.63 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 0.76 0.66 0.00 0.00 105 A 8.12 4.89 0.77 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 0.00 0.00 106 Y 8.17 5.06 0.00 2.76 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 0.00 107 A 8.74 4.29 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 0.00 108 D 9.81 4.54 0.00 2.63 2.51 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 0.00 0.00 0.00 0.00 109 G 9.04 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 6.83 4.59 0.00 1.97 1.91 0.00 2.77 0.00 0.00 3.07 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.49 0.00 111 F 8.68 5.09 0.00 3.20 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 0.00 112 F 8.78 4.83 0.00 3.12 3.01 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 0.00 113 W 8.49 5.07 0.00 3.18 3.02 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 0.00 114 E 9.16 4.18 0.00 1.95 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 115 F 8.42 3.91 0.00 3.32 3.17 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 0.00 116 L 7.65 4.67 0.00 1.17 0.97 0.63 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.77 4.14 0.00 2.83 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 0.00 118 L 6.99 4.55 0.00 1.82 1.91 1.03 0.93 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 0.00 119 V 8.29 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 0.75 0.00 0.00 0.97 0.00 0.00 120 F 8.73 3.36 0.00 1.95 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 0.00 121 C 7.27 4.19 0.00 2.97 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 0.00 122 Q 8.28 3.72 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 123 S 7.88 4.17 0.00 4.05 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 0.00 124 N 8.00 4.53 0.00 2.84 3.30 0.00 0.00 6.91 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.87 4.29 2.01 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.29 1.12 0.00 0.00 126 L 7.60 4.55 0.00 1.69 1.80 0.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 7.79 4.51 0.00 3.25 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 0.00 128 R 8.12 3.50 0.00 1.93 0.89 0.00 2.79 0.00 0.00 3.03 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 129 D 8.57 4.14 0.00 1.68 2.33 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 0.00 130 G 8.23 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.96 5.06 0.00 3.27 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.97 5.34 0.00 1.56 1.56 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 133 V 9.36 4.35 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 0.84 0.00 0.00 1.14 0.00 0.00 134 I 9.99 4.38 1.89 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 1.40 0.86 1.00 0.00 0.00 135 G 6.94 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 0.00 0.00 0.00 136 N 8.30 5.36 0.00 2.87 3.01 0.00 0.00 7.18 8.03 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 0.00 137 I 8.28 3.70 1.70 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.38 0.95 0.00 0.00 138 H 7.78 3.96 0.00 2.36 1.51 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.40 3.44 0.00 1.79 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 2.39 1.79 0.00 140 N 7.67 5.02 0.00 2.84 2.64 0.00 0.00 6.63 8.20 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 0.00 141 P 0.00 4.58 0.00 2.13 2.10 0.00 3.26 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 142 E 7.81 4.54 0.00 1.93 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 2.19 2.23 0.00 143 L 7.98 4.05 0.00 1.67 1.70 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.73 4.15 0.00 1.65 1.55 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.