NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.5515 8.3293 118.3651 58.9885 28.6359 173.1277 11 P 4.3751 0.0000 0.0000 63.9582 32.5831 174.5007 12 L 4.9975 7.7020 121.7047 53.5335 45.1508 176.1570 13 M 4.9597 9.2787 125.6396 53.6960 36.3257 173.9779 14 V 4.9622 8.3657 120.5772 60.9689 35.6478 174.0744 15 K 5.0048 8.8891 125.8190 54.7692 36.1742 175.0715 16 V 4.9053 8.7256 124.9838 61.2579 35.0063 174.0423 17 L 5.1238 9.0430 126.9882 52.9179 46.0719 174.7783 18 D 5.1673 9.0816 121.1720 52.8506 42.4013 176.6253 19 A 4.3302 9.2816 128.4928 53.7501 18.8088 178.7556 20 V 3.8392 8.5650 114.7765 65.4527 31.9108 177.0418 21 R 4.3208 8.7503 115.9948 55.3938 31.0939 176.0351 22 G 3.8968 8.2318 105.8745 45.9820 0.0000 172.8205 23 S 4.8633 7.3809 111.6898 55.5783 67.2947 172.9411 24 P 4.5665 0.0000 0.0000 63.1379 31.9580 175.7924 25 A 4.4545 8.7420 124.3456 50.7393 19.7141 176.2293 26 I 4.2293 8.3453 115.4765 60.6751 39.7933 175.0290 27 N 4.1844 8.4845 120.8009 54.6768 37.9122 173.7521 28 V 4.0951 7.7971 116.8733 61.2639 32.9111 174.9433 29 A 4.5615 8.5747 130.0630 51.9438 19.9277 176.0824 30 V 4.7813 8.8575 121.6351 61.3716 35.1130 173.8844 31 H 5.1266 9.2557 124.5548 53.8913 32.0319 172.8214 32 V 4.8640 8.8879 123.3510 61.2481 34.1143 174.4051 33 F 5.5723 9.4468 124.7062 55.7984 43.6271 173.6015 34 R 4.8071 9.0677 121.2985 54.1648 32.9624 174.6657 35 K 4.1603 8.6669 127.8414 56.0931 32.6888 176.7038 36 A 4.3306 8.6990 130.7768 50.4570 20.2237 177.5642 37 A 3.8678 8.5427 122.4174 55.6124 18.2065 178.5905 38 D 4.4613 7.8627 111.6490 53.5039 39.5336 175.9803 39 D 4.2393 8.1477 118.1452 55.1470 40.1402 173.2893 40 T 4.3838 7.3878 107.0492 59.3171 71.9820 172.9301 41 W 5.1782 8.4053 121.8491 55.6402 30.4609 175.6873 42 E 4.8546 9.4963 125.1329 53.8954 31.2312 173.8743 43 P 4.4388 0.0000 0.0000 63.8278 31.4603 175.3412 44 F 4.8490 8.6560 124.3637 59.4314 41.7986 174.7444 45 A 4.4413 7.6897 116.4779 51.6016 22.0669 175.0970 46 S 4.6767 7.8767 113.1307 57.5908 66.3059 173.2241 47 G 3.9377 7.8463 106.1494 46.3125 0.0000 171.9054 48 K 5.3026 8.4842 118.5839 54.1841 35.0464 176.9966 49 T 4.2076 8.6087 114.7617 61.9869 70.2102 174.8120 50 S 4.6444 8.8098 118.6306 57.3376 64.9588 174.5571 51 E 3.9264 8.6986 118.9277 59.2116 29.1250 178.0793 52 S 4.4371 7.9906 111.8371 57.6605 63.4590 174.8106 53 G 3.8786 8.3705 109.2493 45.5653 0.0000 172.8748 54 E 5.0492 7.7341 118.1019 54.0907 33.3363 174.9769 55 L 4.8504 8.6012 123.6370 53.9830 44.7490 175.2450 56 H 4.8396 8.7911 122.9272 54.1814 31.8473 174.3365 57 G 3.8657 8.6253 104.8150 46.9053 0.0000 175.5304 58 L 3.9923 8.0261 121.6541 57.2638 41.8516 176.6824 59 T 4.4767 7.3160 109.9435 61.1938 70.6969 171.6621 60 T 4.7630 8.0526 112.0488 59.1341 71.4170 174.9331 61 E 4.1714 8.7271 120.1110 59.2721 30.0702 178.0446 62 E 4.0958 8.4221 119.7252 59.1373 29.7188 177.3409 63 E 4.2702 7.9414 117.3854 57.9372 30.3699 176.7275 64 F 4.9102 7.9177 122.9590 57.0373 37.6662 174.7980 65 V 4.0332 7.3648 117.0283 59.7929 32.9703 176.0413 66 E 4.5461 8.0329 120.0481 55.6876 30.5104 177.3177 67 G 3.7140 7.9514 109.7861 46.4298 0.0000 170.4895 68 I 4.7728 7.1479 120.3434 60.0342 38.9006 175.0003 69 Y 5.1260 8.7443 124.5531 55.8633 41.8057 174.4693 70 K 4.8496 9.0884 123.4369 54.5314 35.4433 174.7703 71 V 4.8162 9.2780 127.6340 61.2613 33.8365 173.5509 72 E 5.0511 9.6312 130.1088 54.5695 31.9231 174.3283 73 I 4.5904 8.9089 128.2944 59.4302 39.8087 175.6832 74 D 5.0966 8.8668 129.3851 53.6850 37.7382 176.5729 75 T 3.9674 7.7606 114.5515 64.0431 69.4275 176.6667 76 K 4.1391 8.0836 122.2213 59.6406 32.3735 178.8074 77 S 4.1630 8.2479 115.0222 61.5477 62.4696 175.9339 78 Y 3.9164 7.3336 120.5272 60.6620 38.8278 178.1576 79 W 4.3805 8.0288 119.6703 59.6465 29.1604 178.7523 80 K 4.0495 8.4471 118.3863 59.4405 31.2601 179.1954 81 A 4.0832 7.9420 119.9423 54.2297 18.3092 178.5668 82 L 4.4076 7.5678 115.6130 54.1204 41.9523 177.1522 83 G 3.9174 7.8980 106.9519 46.0857 0.0000 173.3824 84 I 4.3781 7.7189 119.2132 59.0095 39.4276 175.3985 85 S 4.4038 8.6492 120.3981 56.6238 61.7242 171.6887 86 P 4.4085 0.0000 0.0000 61.2676 32.9937 176.1240 87 F 3.9185 8.2291 121.2906 61.1257 39.3716 175.7947 88 H 4.5332 7.7877 115.6121 54.9820 29.6015 175.4053 89 E 4.0893 8.6620 122.1940 59.6986 29.5872 176.1232 90 H 4.7476 7.6264 110.7553 55.9103 31.4258 172.8225 91 A 4.3982 8.4912 120.0935 49.9778 21.0189 175.4044 92 E 5.1198 8.8210 121.4457 54.4231 32.9095 175.7416 93 V 4.4797 8.9953 123.3300 61.1985 34.4538 174.1960 94 V 5.1310 8.6308 127.8964 61.1437 33.8316 174.3718 95 F 5.1298 8.9186 121.2866 56.2262 41.6755 172.9592 96 T 4.8999 8.7298 116.7164 62.5788 70.0490 174.0293 97 A 4.6546 8.9821 128.8751 50.9549 20.6186 176.0078 98 N 5.0620 9.2894 120.0692 50.4345 41.2953 174.1749 99 D 4.4381 8.6525 123.6991 53.3101 40.3742 176.7318 *103 R 4.4818 8.5321 118.7878 55.8269 31.4401 175.4835 104 R 4.9539 7.5228 117.7893 53.8223 33.1125 174.2575 105 Y 4.9678 9.2557 121.3284 56.5178 40.9867 174.6150 106 T 4.9050 8.9193 121.7632 61.8614 71.2767 173.4359 107 I 4.6907 8.5398 127.7687 59.7172 39.1308 174.5472 108 A 5.2609 8.8930 129.2640 50.0082 22.0030 174.9356 109 A 5.2101 8.7820 121.8165 50.0104 23.0659 174.7140 110 L 5.0680 9.0610 123.9937 53.2768 44.7134 174.9581 111 L 5.4286 8.9768 126.4735 53.3429 44.3687 175.8448 112 S 5.1378 9.4808 118.4755 56.0476 67.2447 173.3558 113 P 3.0760 0.0000 0.0000 65.1874 31.0537 177.8178 114 Y 4.6203 7.7684 111.8438 57.2696 38.5937 174.9959 115 S 4.7494 8.0746 113.8185 57.4255 65.7012 172.5135 116 Y 5.5122 7.8022 122.6155 55.8115 41.0980 173.7805 117 S 4.8745 9.2291 114.5136 56.9674 66.0943 172.5894 118 T 5.1872 8.4579 118.6913 60.9395 70.5376 172.4315 119 T 4.8372 8.9153 120.6295 60.3966 71.7368 171.8566 120 A 5.0583 8.5432 126.4300 50.0163 21.4941 175.8541 121 V 4.1690 8.7690 123.0106 61.0616 33.8773 174.5766 122 V 4.5958 8.3577 128.5072 61.1819 33.2882 175.2505 123 T 4.2418 8.4227 117.9603 61.8659 68.4546 173.8009 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 10 C 8.33 4.55 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 11 P 0.00 4.38 0.00 2.12 2.49 0.00 3.31 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.29 0.00 12 L 7.70 5.00 0.00 0.63 1.07 0.83 0.58 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 13 M 9.28 4.96 0.00 1.97 1.81 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 14 V 8.37 4.96 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 0.88 0.00 0.00 15 K 8.89 5.00 0.00 1.76 1.51 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.31 7.81 16 V 8.73 4.91 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 0.76 0.00 0.00 0.80 0.00 0.00 17 L 9.04 5.12 0.00 1.57 1.50 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.08 5.17 0.00 2.65 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 19 A 9.28 4.33 1.43 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 20 V 8.57 3.84 2.57 0.00 0.00 0.00 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 1.04 0.00 0.00 21 R 8.75 4.32 0.00 1.92 2.02 0.00 3.40 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 22 G 8.23 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.38 4.86 0.00 3.88 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 24 P 0.00 4.57 0.00 2.10 2.17 0.00 3.76 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 1.98 1.97 0.00 25 A 8.74 4.45 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.35 4.23 1.87 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 1.29 0.72 1.04 0.00 0.00 27 N 8.48 4.18 0.00 2.87 2.95 0.00 0.00 7.07 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 28 V 7.80 4.10 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 0.79 0.00 0.00 0.63 0.00 0.00 29 A 8.57 4.56 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 30 V 8.86 4.78 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 0.96 0.00 0.00 0.92 0.00 0.00 31 H 9.26 5.13 0.00 3.11 2.62 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.89 4.86 2.34 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 1.32 0.00 0.00 0.96 0.00 0.00 33 F 9.45 5.57 0.00 2.79 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 34 R 9.07 4.81 0.00 1.34 1.70 0.00 2.57 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.23 0.00 35 K 8.67 4.16 0.00 1.22 1.33 0.00 0.88 0.00 0.00 1.19 0.00 0.00 2.64 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.00 0.50 7.81 36 A 8.70 4.33 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 A 8.54 3.87 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 38 D 7.86 4.46 0.00 2.74 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 39 D 8.15 4.24 0.00 2.67 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 40 T 7.39 4.38 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 1.26 0.00 0.00 41 W 8.41 5.18 0.00 2.99 2.93 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 42 E 9.50 4.85 0.00 2.03 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 2.31 2.31 0.00 43 P 0.00 4.44 0.00 2.02 2.06 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 44 F 8.66 4.85 0.00 3.06 3.14 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 45 A 7.69 4.44 1.06 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 46 S 7.88 4.68 0.00 3.61 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 47 G 7.85 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 48 K 8.48 5.30 0.00 1.57 1.65 0.00 1.74 0.00 0.00 2.00 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.35 7.81 49 T 8.61 4.21 4.04 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 1.15 0.00 0.00 50 S 8.81 4.64 0.00 3.96 4.12 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 51 E 8.70 3.93 0.00 1.97 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 2.31 2.24 0.00 52 S 7.99 4.44 0.00 3.99 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 53 G 8.37 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 0.00 0.00 0.00 54 E 7.73 5.05 0.00 1.88 1.62 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 2.23 2.44 0.00 55 L 8.60 4.85 0.00 1.62 1.39 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.79 4.84 0.00 3.02 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.63 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 58 L 8.03 3.99 0.00 1.55 1.67 0.85 0.75 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 59 T 7.32 4.48 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 60 T 8.05 4.76 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 1.20 0.00 0.00 61 E 8.73 4.17 0.00 2.20 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 0.00 2.33 2.35 0.00 62 E 8.42 4.10 0.00 1.99 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 0.00 2.34 2.28 0.00 63 E 7.94 4.27 0.00 2.00 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 2.63 2.45 0.00 64 F 7.92 4.91 0.00 3.16 3.05 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 0.00 0.00 0.00 65 V 7.36 4.03 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 0.86 0.00 0.00 0.94 0.00 0.00 66 E 8.03 4.55 0.00 1.88 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 2.50 2.26 0.00 67 G 7.95 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 68 I 7.15 4.77 1.70 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.66 1.11 0.00 0.00 69 Y 8.74 5.13 0.00 1.79 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 70 K 9.09 4.85 0.00 0.79 0.74 0.00 1.17 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.06 1.07 7.81 71 V 9.28 4.82 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 1.17 0.00 0.00 72 E 9.63 5.05 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 73 I 8.91 4.59 1.74 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 1.05 0.54 0.79 0.00 0.00 74 D 8.87 5.10 0.00 2.80 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.76 3.97 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 1.16 0.00 0.00 76 K 8.08 4.14 0.00 2.18 1.90 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.59 7.81 77 S 8.25 4.16 0.00 4.01 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 78 Y 7.33 3.92 0.00 2.84 2.84 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 0.00 0.00 0.00 79 W 8.03 4.38 0.00 3.54 3.32 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 80 K 8.45 4.05 0.00 1.93 1.89 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.53 7.81 81 A 7.94 4.08 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 82 L 7.57 4.41 0.00 1.83 1.74 0.46 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.90 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 84 I 7.72 4.38 2.24 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.93 0.79 0.00 0.00 85 S 8.65 4.40 0.00 3.85 3.84 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 0.00 0.00 0.00 86 P 0.00 4.41 0.00 2.23 1.99 0.00 3.82 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.15 0.00 87 F 8.23 3.92 0.00 1.91 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 88 H 7.79 4.53 0.00 3.30 3.47 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.66 4.09 0.00 1.91 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 2.22 2.20 0.00 90 H 7.63 4.75 0.00 3.26 3.23 0.00 5.08 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.49 4.40 0.36 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 92 E 8.82 5.12 0.00 1.84 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 2.26 2.47 0.00 93 V 9.00 4.48 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.98 0.00 0.00 94 V 8.63 5.13 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 1.13 0.00 0.00 0.91 0.00 0.00 95 F 8.92 5.13 0.00 3.22 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 96 T 8.73 4.90 4.34 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 1.32 0.00 0.00 97 A 8.98 4.65 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 98 N 9.29 5.06 0.00 2.67 2.79 0.00 0.00 6.97 7.49 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 99 D 8.65 4.44 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *103 R 8.53 4.48 0.00 2.03 2.19 0.00 3.00 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 104 R 7.52 4.95 0.00 1.75 1.86 0.00 3.07 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.66 0.00 105 Y 9.26 4.97 0.00 2.90 2.75 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 0.00 106 T 8.92 4.91 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 1.17 0.00 0.00 107 I 8.54 4.69 1.82 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.83 0.88 0.00 0.00 108 A 8.89 5.26 1.19 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 0.00 0.00 109 A 8.78 5.21 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 0.00 110 L 9.06 5.07 0.00 1.78 1.58 0.97 0.86 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 0.00 111 L 8.98 5.43 0.00 1.84 2.01 0.57 0.69 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 0.00 112 S 9.48 5.14 0.00 3.87 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 0.00 113 P 0.00 3.08 0.00 2.04 1.60 0.00 3.25 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.62 0.00 114 Y 7.77 4.62 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 0.00 115 S 8.07 4.75 0.00 3.80 3.70 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 0.00 116 Y 7.80 5.51 0.00 3.09 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 0.00 117 S 9.23 4.87 0.00 3.92 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 0.00 118 T 8.46 5.19 4.39 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 1.34 0.00 0.00 119 T 8.92 4.84 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 0.00 120 A 8.54 5.06 1.12 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 0.00 0.00 121 V 8.77 4.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.90 0.00 0.00 122 V 8.36 4.60 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 0.34 0.00 0.00 0.66 0.00 0.00 123 T 8.42 4.24 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 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.