NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6695 8.4249 118.1358 51.6997 41.0732 173.7099 3 I 3.0921 7.9228 117.5569 60.6431 34.2438 167.8243 4 V 4.5629 7.3902 117.5520 61.8183 37.2202 172.5642 5 H 4.1625 9.1610 126.9464 57.7920 27.8971 177.3080 6 N 4.3478 9.0561 109.7448 52.6481 39.9014 174.6094 7 Y 4.5834 8.0150 119.7162 58.0172 38.8438 176.7917 8 S 4.5695 9.3112 119.2094 57.7630 65.6082 175.3918 9 E 3.9909 8.6876 121.0286 59.4194 29.1335 179.5076 10 A 3.9840 7.9377 120.4157 55.2475 18.5343 179.3999 11 E 3.8432 8.1760 117.0955 59.4652 29.4197 179.6671 12 I 3.5514 7.8310 119.9025 64.1958 37.0618 178.6225 13 K 3.9043 8.1334 119.3894 59.3474 31.9859 179.5788 14 V 3.4639 7.7241 118.4271 66.0785 31.2343 178.2940 15 R 3.7692 7.6409 116.5308 59.0363 30.2382 178.4173 16 E 4.0409 8.3424 119.0008 59.3169 29.5217 178.8109 17 A 4.1661 8.1571 119.6915 54.0976 18.4600 178.0256 18 T 4.4441 7.3326 107.1758 61.0543 69.2110 174.3173 19 S 4.2004 7.5572 116.0229 59.2052 63.7948 174.5262 20 N 4.3267 8.2300 121.7030 52.8235 37.0250 173.7297 21 D 4.3560 6.5462 118.6604 51.1250 45.1932 175.5777 22 P 4.5104 0.0000 0.0000 61.1821 30.3197 176.2424 23 W 5.0545 6.9043 112.9388 56.3168 30.8257 174.5262 24 G 4.0271 8.5863 109.9954 43.9160 0.0000 171.4818 25 P 4.4674 0.0000 0.0000 62.0479 31.8756 177.0651 26 S 4.4315 8.2986 116.6287 57.7789 64.0496 174.6185 27 S 4.0365 8.5433 118.7213 61.6329 63.3163 176.1407 28 S 4.2223 8.0581 114.7801 61.3056 63.0643 176.5231 29 L 4.1491 7.6842 121.4467 55.0650 41.4049 178.3614 *31 S 4.6503 8.2077 113.4617 57.9379 64.3418 175.5291 32 E 4.0225 8.1114 119.3406 59.5185 28.8966 179.4067 33 I 3.7315 7.6456 118.6267 64.1626 37.5226 177.9565 34 A 4.2346 8.1210 121.2211 55.4472 18.4360 179.2337 35 D 4.6091 8.2557 117.2956 57.6284 40.9322 179.0047 36 L 4.2391 8.0397 119.3050 57.3170 41.3969 179.0026 37 T 4.2413 7.6399 108.3736 63.7162 68.8317 175.0686 38 Y 4.4651 7.7506 118.1460 57.3818 38.5289 174.5019 39 N 4.7527 7.9292 120.9857 52.1415 38.5611 175.5628 40 V 3.6677 8.6928 126.9555 65.2065 30.7393 178.5495 41 V 3.6391 7.9204 117.7674 65.7985 31.6546 177.7201 42 A 4.1991 8.5015 120.5672 54.9606 17.9070 179.1065 43 F 3.9679 8.3899 118.9118 61.8437 39.5033 177.2907 44 S 4.1985 7.4978 113.2200 61.6433 62.7085 176.3226 45 E 4.1743 7.6691 119.7231 59.3414 29.2468 179.6834 46 I 3.6747 7.6861 114.6872 62.3670 37.0519 176.4327 *48 S 4.3936 7.7819 113.3427 58.3740 63.8530 175.3019 *50 I 3.9273 7.7181 120.8716 60.6466 38.6348 178.0390 51 W 4.4284 7.8730 118.3337 59.7393 29.0831 178.2931 52 K 4.2189 8.1730 118.4559 59.5353 31.3143 179.7085 53 R 3.9166 7.8216 116.8028 58.8901 30.0967 178.5078 54 L 4.2507 7.8610 117.7531 55.9446 42.7748 177.8501 55 N 4.7512 7.5891 118.1867 51.0048 37.1480 172.5998 56 D 4.6375 7.3430 122.7661 53.2650 44.9085 173.0207 57 H 5.1980 8.4567 117.3816 54.2796 34.3809 178.0927 58 G 3.6304 8.3202 110.4524 45.7936 0.0000 177.7474 59 K 3.5201 8.5101 126.1424 58.7658 32.4387 176.5930 60 N 4.6596 8.1808 117.7298 52.9021 38.8280 176.9711 61 W 4.2708 8.1194 120.1479 59.8440 27.8022 178.0974 62 R 3.2116 6.5987 118.3794 58.8407 29.3318 178.3075 63 H 4.3194 7.5911 116.9793 58.2518 28.5128 177.9734 64 V 3.4665 7.5010 117.8137 66.0924 31.5407 176.9014 65 Y 4.1107 8.1514 118.2299 60.7712 38.9046 177.9204 66 K 4.0656 8.5153 119.6160 58.9198 31.8352 179.6803 67 A 4.1444 7.5651 118.2954 52.7924 18.4437 178.4730 *69 T 4.1653 7.8854 119.3104 65.2134 70.5015 176.8780 70 L 4.0019 7.7722 121.5668 55.3591 41.7577 178.2212 *72 E 4.1533 8.3743 118.8478 55.8764 31.4419 176.9467 73 Y 3.9205 8.0587 119.0398 60.8503 38.7147 178.1689 74 L 4.1167 8.4949 120.2465 57.6755 41.4175 179.5715 75 I 3.6626 7.5873 118.7487 64.2652 37.3901 177.9568 76 K 4.1726 8.0037 118.6874 58.0222 31.8983 178.4296 77 T 4.3999 8.0720 113.3119 62.8040 70.6692 174.0088 78 G 4.1134 7.6709 110.8468 43.8439 0.0000 173.2983 79 S 3.6903 7.6268 113.7649 58.2065 62.9043 176.3862 80 E 4.0246 8.6517 125.0480 59.2080 29.0828 179.7339 81 R 3.9406 7.8018 118.3062 58.6347 29.8772 179.1395 82 V 3.7967 7.8845 118.8474 66.1845 31.5762 178.2511 83 S 4.1955 8.0451 113.5285 61.3114 62.8250 175.9627 84 Q 3.9475 8.1892 123.2350 59.2063 28.8680 178.1169 85 Q 4.4117 8.4394 122.0708 58.8514 28.8631 177.9200 86 C 4.5593 8.1643 117.2704 62.8514 28.2601 175.8460 87 K 4.1959 8.2026 119.2888 59.5871 31.9563 179.0595 88 E 4.2737 8.5084 118.8111 57.1960 29.3647 176.3181 89 N 4.6533 7.7504 117.1362 51.4881 40.6765 174.3799 *91 Y 4.5054 8.4713 123.9351 57.5237 40.5161 176.7717 92 A 4.0052 7.8952 119.9588 54.2803 18.4313 179.0940 93 V 4.0130 7.6683 116.3898 65.5939 32.1625 177.8907 94 Q 4.0383 7.9818 117.5120 59.0648 28.6528 178.7244 95 T 3.7671 7.5824 110.8571 64.6294 68.6945 176.3079 96 L 4.2664 7.8007 120.9138 56.7723 41.3772 179.0715 97 K 4.2687 7.9200 117.9265 58.0584 31.8863 176.8539 98 D 4.9514 7.5816 117.5495 53.4635 41.7023 175.3040 99 F 4.2661 8.0839 119.7510 57.9093 39.8530 174.2913 100 Q 4.6418 7.1988 125.3297 54.3876 31.9375 174.5423 101 Y 4.4480 7.9978 119.6706 57.1762 41.9067 172.6402 102 V 4.4269 7.8209 127.6950 60.6734 33.6833 175.2374 103 D 4.2710 8.1801 127.7346 51.9011 40.2985 177.0449 104 R 4.0681 8.4043 116.7521 58.0490 29.9364 177.2117 105 D 4.5803 8.7852 117.6538 53.8016 41.1958 177.3963 106 G 3.8313 8.1758 107.8660 45.1877 0.0000 173.7163 107 K 3.9884 7.7794 119.9901 55.4422 32.7346 175.7721 108 D 4.7214 8.3259 123.9759 53.5785 40.2421 175.8989 109 Q 3.7655 8.0413 126.8485 57.7471 28.9009 178.2102 110 G 3.9047 8.2936 107.5157 47.7069 0.0000 175.9410 111 V 3.6720 8.5101 121.7913 64.9913 31.1236 178.2893 112 N 4.4132 7.8790 117.0794 55.7632 38.3037 177.6791 113 V 3.8313 7.6784 119.5213 66.0145 31.6653 178.0692 114 R 4.1552 8.2728 117.9299 59.3416 29.9696 178.6523 115 E 3.9362 8.3889 119.0519 59.1958 29.5763 178.7624 116 K 3.9579 8.2342 119.4857 59.3871 32.1780 178.5965 117 A 3.9568 8.1936 121.1227 54.9381 18.3451 179.4019 118 K 3.8463 8.3157 118.3492 60.0226 32.3163 179.1063 119 Q 4.0386 8.2178 118.1922 58.7158 28.5949 178.4703 120 L 3.9508 8.2635 121.8820 57.9788 42.2379 179.1671 121 V 3.5907 8.1251 118.2839 65.9225 31.2595 177.7441 122 A 4.0135 7.7089 119.2932 55.0988 18.5841 179.0665 123 L 4.0465 7.8912 118.6721 58.4356 42.0286 179.3210 124 L 4.1032 7.8711 117.2858 57.1386 41.6070 178.7119 125 R 4.6013 7.6897 115.2592 55.4449 31.2025 176.0506 126 D 4.7675 7.5658 119.5036 51.9767 41.3198 175.9378 127 E 3.9899 8.7209 126.1771 59.4261 29.7078 178.7297 128 D 4.3719 8.1101 118.1382 57.4339 40.9421 178.8404 129 R 4.0910 8.1447 118.2919 59.1531 29.9940 178.7242 130 L 3.9197 8.0509 120.0851 58.3768 42.0387 179.3228 131 R 3.9176 7.8918 117.4253 59.2407 29.9867 178.9941 132 E 3.9857 8.1129 117.9723 59.5430 29.4415 179.2218 133 E 4.0164 8.8591 118.9672 59.4339 29.4905 179.7436 134 R 4.3331 8.5391 119.3910 58.6097 30.1321 178.8492 135 A 3.9494 7.9462 120.5508 55.6520 18.3958 179.4608 136 H 4.0713 8.2865 114.4330 58.8683 28.7355 178.0179 137 A 3.9501 8.3751 122.9990 55.1412 18.2293 179.7243 138 L 3.9323 8.4159 117.9166 57.8426 41.5598 179.9436 139 K 4.0347 8.0824 118.5734 59.6265 31.8618 179.6126 140 T 3.8826 7.8529 116.2200 66.4889 68.3954 176.7290 141 K 4.0243 8.2500 121.6567 59.2238 31.9398 178.5621 142 E 3.8990 7.9215 119.0016 59.1918 30.0595 178.3864 143 K 4.0655 8.3203 119.9928 59.3360 32.1688 178.3511 144 L 3.9537 8.3585 120.8234 58.2679 41.8175 178.9283 145 A 4.1697 8.0700 119.3731 53.9704 18.2650 178.5020 146 Q 4.5381 7.5344 114.0596 55.1332 29.3058 174.9776 147 T 4.4508 7.1622 110.6673 60.0442 70.4130 174.4587 148 A 4.3627 8.3279 128.4332 51.5944 20.0727 179.7768 149 T 4.2482 8.2182 115.6367 63.1996 68.2804 174.6988 150 A 4.3156 8.4941 128.5279 53.3648 19.2851 176.0468 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 N 8.42 4.67 0.00 2.86 3.13 0.00 0.00 6.96 6.57 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 3 I 7.92 3.09 1.90 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 1.32 0.50 0.93 0.00 0.00 4 V 7.39 4.56 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 0.84 0.00 0.00 1.08 0.00 0.00 5 H 9.16 4.16 0.00 3.08 2.93 0.00 5.97 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 N 9.06 4.35 0.00 2.74 2.69 0.00 0.00 6.85 7.46 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 7 Y 8.01 4.58 0.00 2.99 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 8 S 9.31 4.57 0.00 4.06 4.05 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 9 E 8.69 3.99 0.00 2.02 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 2.34 0.00 10 A 7.94 3.98 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 11 E 8.18 3.84 0.00 2.27 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 2.31 2.36 0.00 12 I 7.83 3.55 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.79 0.90 0.00 0.00 13 K 8.13 3.90 0.00 1.92 1.81 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.67 7.81 14 V 7.72 3.46 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 0.88 0.00 0.00 0.87 0.00 0.00 15 R 7.64 3.77 0.00 1.74 1.80 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 16 E 8.34 4.04 0.00 2.01 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 2.38 0.00 17 A 8.16 4.17 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 18 T 7.33 4.44 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 1.13 0.00 0.00 19 S 7.56 4.20 0.00 4.03 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 20 N 8.23 4.33 0.00 2.16 2.54 0.00 0.00 6.81 8.47 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 21 D 6.55 4.36 0.00 1.58 1.54 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 22 P 0.00 4.51 0.00 2.23 2.09 0.00 3.17 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 2.16 1.98 0.00 23 W 6.90 5.05 0.00 3.29 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 24 G 8.59 4.03 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 0.00 0.00 0.00 25 P 0.00 4.47 0.00 1.95 1.99 0.00 3.67 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 1.94 2.23 0.00 26 S 8.30 4.43 0.00 3.93 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 27 S 8.54 4.04 0.00 3.86 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 28 S 8.06 4.22 0.00 3.98 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 29 L 7.68 4.15 0.00 1.73 1.73 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 *31 S 8.21 4.65 0.00 4.11 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 32 E 8.11 4.02 0.00 2.22 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 2.34 2.67 0.00 33 I 7.65 3.73 1.85 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 1.42 0.62 0.87 0.00 0.00 34 A 8.12 4.23 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 0.00 0.00 0.00 0.00 0.00 35 D 8.26 4.61 0.00 2.98 2.82 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 0.00 36 L 8.04 4.24 0.00 1.94 1.76 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.64 4.24 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 1.26 0.00 0.00 38 Y 7.75 4.47 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 39 N 7.93 4.75 0.00 2.81 2.96 0.00 0.00 6.82 6.99 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 40 V 8.69 3.67 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 0.96 0.00 0.00 41 V 7.92 3.64 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 1.08 0.00 0.00 0.97 0.00 0.00 42 A 8.50 4.20 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.39 3.97 0.00 3.21 3.31 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 44 S 7.50 4.20 0.00 4.25 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 45 E 7.67 4.17 0.00 2.06 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 2.38 2.59 0.00 46 I 7.69 3.67 1.85 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 1.33 0.55 0.74 0.00 0.00 *48 S 7.78 4.39 0.00 3.99 3.99 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 0.00 0.00 0.00 *50 I 7.72 3.93 1.40 0.00 0.00 0.61 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 0.71 0.48 0.00 0.00 51 W 7.87 4.43 0.00 3.39 3.13 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 0.00 0.00 0.00 0.00 52 K 8.17 4.22 0.00 1.84 1.87 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.73 7.81 53 R 7.82 3.92 0.00 1.77 1.86 0.00 2.99 0.00 0.00 2.91 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 54 L 7.86 4.25 0.00 1.95 1.80 0.80 0.69 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 55 N 7.59 4.75 0.00 2.89 2.98 0.00 0.00 6.89 8.49 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 56 D 7.34 4.64 0.00 2.65 2.53 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 0.00 0.00 0.00 57 H 8.46 5.20 0.00 3.25 3.13 0.00 5.99 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.32 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.51 3.52 0.00 1.86 1.97 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.40 7.81 60 N 8.18 4.66 0.00 3.00 2.73 0.00 0.00 6.57 8.19 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 61 W 8.12 4.27 0.00 3.67 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 62 R 6.60 3.21 0.00 1.17 1.42 0.00 2.56 0.00 0.00 2.92 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 63 H 7.59 4.32 0.00 3.33 3.40 0.00 5.65 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 64 V 7.50 3.47 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 0.58 0.00 0.00 0.92 0.00 0.00 65 Y 8.15 4.11 0.00 3.21 2.98 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 66 K 8.52 4.07 0.00 1.77 1.90 0.00 1.55 0.00 0.00 1.55 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.50 7.81 67 A 7.57 4.14 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 *69 T 7.89 4.17 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 1.14 0.00 0.00 70 L 7.77 4.00 0.00 1.59 1.64 0.83 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 *72 E 8.37 4.15 0.00 2.00 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 0.00 2.26 2.28 0.00 73 Y 8.06 3.92 0.00 3.21 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 74 L 8.49 4.12 0.00 1.65 1.68 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.59 3.66 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.41 0.89 0.00 0.00 76 K 8.00 4.17 0.00 1.64 1.73 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.58 7.81 77 T 8.07 4.40 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 1.04 0.00 0.00 78 G 7.67 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 0.00 0.00 0.00 0.00 79 S 7.63 3.69 0.00 2.72 3.35 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 80 E 8.65 4.02 0.00 2.02 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 2.40 2.42 0.00 81 R 7.80 3.94 0.00 1.26 1.46 0.00 2.81 0.00 0.00 2.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.37 0.00 82 V 7.88 3.80 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 1.00 0.00 0.00 1.04 0.00 0.00 83 S 8.05 4.20 0.00 4.10 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 0.00 84 Q 8.19 3.95 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 85 Q 8.44 4.41 0.00 2.44 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.74 2.46 0.00 86 C 8.16 4.56 0.00 3.25 3.11 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 0.00 87 K 8.20 4.20 0.00 1.92 1.92 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.74 7.81 88 E 8.51 4.27 0.00 2.22 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 2.36 2.75 0.00 89 N 7.75 4.65 0.00 2.56 2.27 0.00 0.00 6.48 7.50 0.00 0.00 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 Y 8.47 4.51 0.00 3.05 2.99 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 0.00 0.00 0.00 92 A 7.90 4.01 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 93 V 7.67 4.01 2.16 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 1.12 0.00 0.00 1.19 0.00 0.00 94 Q 7.98 4.04 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 95 T 7.58 3.77 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 0.50 0.00 0.00 96 L 7.80 4.27 0.00 1.88 1.78 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.92 4.27 0.00 1.87 1.90 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.52 7.81 98 D 7.58 4.95 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.08 4.27 0.00 3.16 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 0.00 100 Q 7.20 4.64 0.00 1.77 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.58 0.00 0.00 0.00 0.00 0.00 2.21 2.42 0.00 101 Y 8.00 4.45 0.00 2.98 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 0.00 102 V 7.82 4.43 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 0.74 0.00 0.00 0.78 0.00 0.00 103 D 8.18 4.27 0.00 2.94 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 0.00 104 R 8.40 4.07 0.00 1.84 2.03 0.00 3.21 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 105 D 8.79 4.58 0.00 2.73 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 0.00 106 G 8.18 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.78 3.99 0.00 1.97 1.63 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.32 7.81 108 D 8.33 4.72 0.00 2.52 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.04 3.77 0.00 1.33 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 110 G 8.29 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 0.00 111 V 8.51 3.67 2.28 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 0.79 0.00 0.00 0.92 0.00 0.00 112 N 7.88 4.41 0.00 2.61 2.77 0.00 0.00 6.56 7.54 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 0.00 113 V 7.68 3.83 2.30 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 0.73 0.00 0.00 0.90 0.00 0.00 114 R 8.27 4.16 0.00 2.12 2.11 0.00 3.42 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.03 0.00 115 E 8.39 3.94 0.00 2.20 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 2.34 2.41 0.00 116 K 8.23 3.96 0.00 1.98 1.82 0.00 1.13 0.00 0.00 1.33 0.00 0.00 2.74 0.00 0.00 2.17 0.00 0.00 0.00 0.00 1.34 1.38 7.81 117 A 8.19 3.96 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 0.00 118 K 8.32 3.85 0.00 1.92 2.04 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 119 Q 8.22 4.04 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 120 L 8.26 3.95 0.00 1.81 1.79 0.89 1.10 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 0.00 121 V 8.13 3.59 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 0.98 0.00 0.00 1.01 0.00 0.00 122 A 7.71 4.01 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 0.00 123 L 7.89 4.05 0.00 1.79 1.87 0.92 0.68 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 0.00 124 L 7.87 4.10 0.00 1.85 1.75 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 125 R 7.69 4.60 0.00 1.83 1.98 0.00 3.15 0.00 0.00 3.17 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.93 0.00 126 D 7.57 4.77 0.00 2.78 2.55 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 0.00 0.00 0.00 127 E 8.72 3.99 0.00 2.02 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 2.41 2.37 0.00 128 D 8.11 4.37 0.00 2.72 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 0.00 129 R 8.14 4.09 0.00 2.08 1.98 0.00 3.14 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 1.65 1.77 0.00 130 L 8.05 3.92 0.00 1.87 1.84 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 131 R 7.89 3.92 0.00 2.08 1.97 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 132 E 8.11 3.99 0.00 2.21 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 2.35 2.61 0.00 133 E 8.86 4.02 0.00 2.05 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 2.48 2.49 0.00 134 R 8.54 4.33 0.00 2.05 1.96 0.00 3.13 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 135 A 7.95 3.95 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 0.00 136 H 8.29 4.07 0.00 3.32 3.35 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.38 3.95 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 0.00 138 L 8.42 3.93 0.00 1.67 1.72 0.93 0.82 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 0.00 139 K 8.08 4.03 0.00 1.96 1.84 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.64 7.81 140 T 7.85 3.88 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 1.26 0.00 0.00 141 K 8.25 4.02 0.00 1.86 1.97 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.56 7.81 142 E 7.92 3.90 0.00 2.26 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 2.32 2.31 0.00 143 K 8.32 4.07 0.00 1.93 1.96 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 144 L 8.36 3.95 0.00 1.88 1.86 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.07 4.17 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 0.00 146 Q 7.53 4.54 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.58 0.00 147 T 7.16 4.45 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 1.27 0.00 0.00 148 A 8.33 4.36 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 0.00 149 T 8.22 4.25 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 1.20 0.00 0.00 150 A 8.49 4.32 1.18 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.