NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.1988 0.0000 0.0000 62.4436 33.4863 174.2763 3 K 4.4645 7.6568 118.3342 55.5363 35.4695 170.2007 4 V 4.8158 9.2829 113.7687 60.1226 36.8059 175.5457 5 Y 5.2479 8.5417 123.0258 56.6297 41.5570 173.7969 6 N 5.2303 8.7692 123.5321 51.6862 43.1403 173.5852 7 S 4.9824 8.4049 115.2380 57.3006 66.2666 172.8095 8 I 4.6807 8.1903 113.4889 59.8117 41.4218 173.3726 9 V 4.7696 8.3478 122.6889 61.3114 33.3179 174.7625 10 V 4.3168 9.0368 128.0932 60.7574 33.8523 175.1962 11 D 5.2938 8.1998 129.0809 52.2314 39.0386 174.6389 12 A 4.7033 7.2921 122.8828 48.8099 22.7188 174.5452 13 P 4.6099 0.0000 0.0000 62.0233 33.4195 178.1218 14 V 3.9783 8.1252 121.0751 64.6301 31.2810 178.3842 15 E 4.0115 8.0883 118.7222 59.1440 29.1655 179.1886 16 R 3.8624 7.7538 118.3036 59.2509 30.3442 178.5132 17 V 3.1564 7.3584 118.0194 65.5210 31.5972 177.6990 18 W 4.2665 8.4239 128.4814 60.7215 30.3287 177.6865 19 S 3.9590 7.9065 111.6591 61.4444 61.7203 175.8721 20 R 4.0944 7.5225 120.8457 58.2331 30.2705 177.3969 21 I 3.7738 7.0079 110.1807 60.3627 37.9651 177.0709 22 R 2.8401 7.1668 116.6717 57.0906 29.5855 175.7827 23 N 4.7891 7.5293 117.7459 51.6803 39.1894 174.9616 24 F 4.0763 8.9067 129.6058 61.1102 39.5030 175.4163 25 H 4.5555 8.6539 115.5717 55.4235 28.9037 174.3189 26 D 4.7452 8.1077 120.2770 52.8306 41.2754 174.6877 27 F 4.5984 8.3654 128.1718 57.6818 39.5476 177.2351 28 S 4.2916 8.4774 114.7837 59.6060 62.6830 174.9178 29 W 4.5040 7.9890 116.7945 57.4520 29.1475 176.1118 30 A 4.8171 7.3993 122.3591 50.0912 17.8777 175.0157 31 P 4.4276 0.0000 0.0000 64.3990 32.5689 179.3893 32 S 4.1321 8.4114 115.6058 61.3804 62.8590 175.0274 33 L 4.0433 7.5465 119.2797 56.2755 42.5591 176.2101 34 I 3.9679 7.0523 120.1234 60.1547 36.5808 175.4132 35 K 4.2486 9.4993 126.9070 57.5599 33.0688 177.5315 36 S 4.6300 7.5798 111.8101 56.9926 66.5348 173.2787 37 C 5.0021 8.5502 121.7735 58.0101 33.7843 172.5781 38 K 4.5722 8.9679 127.0555 54.0396 33.9490 176.2509 39 K 4.3411 8.6378 126.6586 56.7557 32.7145 176.0046 40 V 4.3360 8.6540 126.4285 62.1775 35.0868 176.3757 41 G 3.8417 9.0402 115.6507 44.6460 0.0000 172.7519 42 G 3.8067 8.1310 107.6886 44.9674 0.0000 173.4375 43 G 4.0077 8.7996 106.3808 45.9375 0.0000 174.3403 44 G 3.9554 8.1984 110.9809 44.2180 0.0000 174.1436 45 G 3.4232 8.1805 106.9743 47.4319 0.0000 174.2364 46 Y 4.2283 7.0254 115.3579 57.1520 39.3286 174.8259 47 S 4.4381 7.7632 116.5730 56.1773 62.5831 173.7511 48 V 3.6803 8.1886 128.6043 64.0607 31.5842 175.4821 49 G 4.0345 8.8870 115.5148 45.4611 0.0000 174.0399 50 A 4.5337 8.0200 121.8335 51.8814 19.7195 176.7018 51 R 5.6124 8.7280 117.5075 54.8527 35.1349 174.5100 52 R 5.1490 9.3024 115.9062 54.9357 33.5451 173.4950 53 L 5.2137 9.1082 123.1723 53.4570 44.6197 174.8592 54 L 5.0527 9.1436 126.6840 53.8056 44.2916 176.4469 55 N 4.1733 9.6733 118.9305 53.9883 36.8316 175.0740 56 G 3.9939 8.7198 103.2522 46.0069 0.0000 174.4122 57 E 4.5771 8.5559 116.3522 55.9254 34.5388 174.6381 58 F 4.8834 8.2731 119.8695 56.1585 40.5502 174.7167 59 L 5.1103 8.7133 127.7458 53.9061 43.2219 174.7542 60 D 5.6194 9.2554 127.1530 53.0442 43.9710 175.6550 61 T 5.1536 8.8878 118.4158 61.5256 71.9363 173.1920 62 L 4.2623 8.7935 129.3391 55.0644 42.3598 176.8839 63 I 4.4633 8.4993 118.8699 61.1105 39.4684 175.4985 64 A 4.6400 7.7543 123.0294 51.5193 21.7336 174.7641 65 Y 4.8194 8.4029 121.2587 56.0241 42.1353 174.4165 66 S 4.5929 8.7442 121.0969 56.3489 64.2136 174.0645 67 E 4.1146 9.0590 129.7097 59.2378 29.8995 178.6238 68 I 3.6245 7.7515 117.6274 63.5545 38.1376 176.0607 69 E 4.0980 8.0517 116.9675 55.5128 30.6932 175.7720 70 R 2.0000 6.7946 116.9518 56.4136 27.6141 175.3604 71 R 5.0392 7.7940 117.7363 54.6895 34.5218 174.7621 72 I 4.9234 8.5646 125.2871 59.4255 41.9383 173.6516 *74 Y 5.0151 8.1699 119.9969 56.9965 39.3911 174.7184 75 S 5.9186 8.7936 118.5474 58.3101 64.9693 175.9730 *77 D 4.7813 8.8028 115.1202 53.9900 43.0797 175.5647 78 E 4.7645 8.1371 116.0263 55.0763 34.5918 174.7645 79 G 4.2222 7.9920 107.2152 44.6562 0.0000 171.0985 80 P 4.5225 0.0000 0.0000 61.6082 32.1289 175.9107 81 S 4.9127 8.4668 113.7931 57.9221 62.5728 171.9863 82 P 4.9288 0.0000 0.0000 62.8522 31.2189 176.1732 83 V 4.1677 7.2379 111.5954 61.3714 32.2122 176.4324 84 S 5.0692 8.1116 113.5250 57.2656 63.7114 174.8501 85 S 4.4996 8.4649 115.1436 60.1268 63.0519 175.4492 86 G 3.8046 7.6834 109.4044 46.9089 0.0000 174.2707 87 E 4.6116 8.2493 117.1297 55.9606 31.4352 175.5625 88 I 5.2881 7.5763 111.0155 59.2218 40.9994 173.3285 89 Y 4.9886 8.4080 117.7908 56.1257 40.9095 174.0739 90 N 4.4788 9.0660 114.2329 54.5099 36.4918 173.8472 91 Y 4.6925 8.0899 118.8161 57.6700 40.5817 174.3892 92 V 4.8897 8.7050 126.8947 61.0787 34.5906 174.3154 93 G 4.3053 8.7232 115.2358 44.5839 0.0000 172.9415 94 N 5.0082 9.3112 121.0982 52.0824 41.9921 172.4824 95 L 4.6327 8.8135 129.5754 53.2885 44.4097 174.6219 96 H 5.2612 8.8899 125.0968 54.7811 33.6789 171.7878 97 L 5.1109 8.0267 124.4386 53.0128 44.2503 175.8954 98 L 4.9034 8.7837 121.2763 52.2159 46.1976 174.1906 99 P 4.7221 0.0000 0.0000 62.8484 32.8021 176.4427 100 V 4.1726 8.5929 123.7864 61.5779 30.8558 176.3044 101 T 3.9303 8.3344 118.9731 64.1147 69.2825 177.0622 102 I 3.7217 7.8982 121.7099 63.1338 38.0737 175.7726 103 D 4.8009 7.6696 115.8518 52.1502 39.8448 174.6574 104 D 4.3063 7.7070 116.7448 56.3011 40.0729 172.3430 105 T 5.2109 7.5907 109.7990 59.3843 72.8500 172.8686 106 T 4.9986 8.3718 116.6204 62.1858 72.4164 173.0837 107 F 5.0396 9.3484 129.4643 57.1411 41.3531 174.3719 108 V 4.5868 8.1296 126.1596 60.7911 34.1924 173.8584 109 E 4.8122 8.8030 125.7459 54.0782 33.0138 174.7718 110 W 5.3305 8.7871 131.6180 55.9775 33.8930 173.9274 111 S 5.4424 9.4596 123.6603 56.9039 65.7576 173.5332 112 G 4.8426 9.0781 109.1713 44.8758 0.0000 171.6346 113 S 5.1482 8.6142 117.1196 56.7761 66.8577 172.7941 114 W 5.3924 8.0039 117.6317 56.8812 31.5037 172.9634 115 E 4.5035 8.6270 119.7625 54.8394 31.3747 175.4796 116 S 4.9451 7.9716 114.2116 57.8393 64.8124 175.6994 117 A 4.2298 9.0964 127.3798 53.8936 18.5398 177.0529 118 S 4.8018 8.0698 109.2609 57.1381 66.4067 173.8100 119 T 4.6002 8.2557 106.9637 61.3646 68.7594 175.7801 120 E 3.8782 8.0804 124.5179 59.7398 29.5025 177.8303 121 A 4.2914 8.1886 119.5012 53.3274 19.1012 179.3100 122 V 3.9379 8.3441 116.4403 66.0608 32.1177 176.8858 123 E 4.1160 8.5195 120.1800 59.5927 29.7795 178.3622 124 Y 3.8434 7.6441 115.4743 58.8368 38.6331 177.0177 *126 N 4.7943 8.2285 117.4408 53.4678 40.9823 176.9433 127 T 3.7654 7.8548 114.6824 66.4625 68.4371 176.7905 128 V 3.1705 7.2081 119.9562 66.2776 31.4414 177.6376 129 Y 4.0354 7.2289 115.6757 61.1600 37.6536 178.8848 130 R 3.9728 8.1594 119.0299 59.0798 30.1145 179.1097 131 S 4.0380 7.9089 112.8057 61.2457 62.4847 176.1289 132 L 3.9922 7.8926 121.6624 57.9665 41.3368 179.5927 133 L 4.3309 8.4023 118.7423 57.8311 41.4949 179.3957 134 A 4.0512 8.3616 120.8665 55.2329 18.2716 179.3715 135 D 4.3426 8.2886 117.4322 57.4737 40.7069 178.7846 136 L 4.1644 7.8609 118.9008 58.2017 42.5785 178.5906 137 A 4.2437 8.4939 120.7353 55.2501 18.1547 179.4868 138 A 4.0113 8.1006 118.2569 55.2350 18.4501 179.1808 139 E 3.9901 8.1044 117.2783 57.5450 31.1270 176.9598 140 F 4.8963 7.7325 118.1185 55.8805 38.7520 174.7272 141 T 4.6166 7.6450 120.9606 62.1052 69.9176 176.0891 142 S 5.0681 8.9213 117.0796 59.8354 62.4972 174.4512 143 E 4.5770 7.8951 115.5563 57.2238 31.2263 177.0099 144 S 4.1739 8.0504 112.5266 60.0376 63.1703 173.9943 145 R 4.4506 7.4745 122.6273 56.0233 28.6485 176.1211 146 R 4.2579 7.5849 121.2442 56.4624 30.5444 176.5596 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 P 0.00 4.20 0.00 0.92 1.72 0.00 2.92 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.90 0.00 3 K 7.66 4.46 0.00 1.84 1.48 0.00 1.44 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.14 1.47 7.81 4 V 9.28 4.82 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 1.14 0.00 0.00 1.47 0.00 0.00 5 Y 8.54 5.25 0.00 2.96 2.85 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 6 N 8.77 5.23 0.00 2.61 2.62 0.00 0.00 6.08 7.18 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 7 S 8.40 4.98 0.00 3.35 3.40 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 8 I 8.19 4.68 1.89 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 1.06 0.91 0.94 0.00 0.00 9 V 8.35 4.77 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 0.89 0.00 0.00 1.10 0.00 0.00 10 V 9.04 4.32 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 0.92 0.00 0.00 0.97 0.00 0.00 11 D 8.20 5.29 0.00 2.95 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 12 A 7.29 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.61 0.00 2.36 2.46 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.85 0.00 14 V 8.13 3.98 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 1.25 0.00 0.00 0.82 0.00 0.00 15 E 8.09 4.01 0.00 2.06 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 2.40 2.43 0.00 16 R 7.75 3.86 0.00 1.81 1.83 0.00 3.22 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 17 V 7.36 3.16 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 0.76 0.00 0.00 0.40 0.00 0.00 18 W 8.42 4.27 0.00 3.33 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 19 S 7.91 3.96 0.00 3.97 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 20 R 7.52 4.09 0.00 1.95 2.12 0.00 3.42 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 21 I 7.01 3.77 1.08 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.27 -0.61 0.00 0.00 22 R 7.17 2.84 0.00 0.67 0.66 0.00 2.73 0.00 0.00 2.60 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.48 0.00 23 N 7.53 4.79 0.00 2.86 2.76 0.00 0.00 6.68 7.59 0.00 0.00 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 F 8.91 4.08 0.00 3.02 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 25 H 8.65 4.56 0.00 3.22 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.11 4.75 0.00 2.61 2.64 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 27 F 8.37 4.60 0.00 2.83 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.29 0.00 4.06 4.01 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 29 W 7.99 4.50 0.00 3.60 3.26 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 30 A 7.40 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.43 0.00 2.13 2.14 0.00 3.89 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 32 S 8.41 4.13 0.00 3.90 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 33 L 7.55 4.04 0.00 1.39 1.37 0.64 0.67 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 34 I 7.05 3.97 1.37 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 -0.36 0.45 0.00 0.00 35 K 9.50 4.25 0.00 1.70 1.79 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.44 7.81 36 S 7.58 4.63 0.00 3.80 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 37 C 8.55 5.00 0.00 2.92 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 38 K 8.97 4.57 0.00 1.66 1.67 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.48 7.81 39 K 8.64 4.34 0.00 1.47 1.60 0.00 1.52 0.00 0.00 1.54 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.24 7.81 40 V 8.65 4.34 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 0.94 0.00 0.00 1.00 0.00 0.00 41 G 9.04 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 0.00 0.00 0.00 42 G 8.13 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 0.00 0.00 0.00 43 G 8.80 4.01 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 0.00 0.00 0.00 44 G 8.20 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.18 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.03 4.23 0.00 2.63 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 0.00 0.00 0.00 47 S 7.76 4.44 0.00 3.83 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 48 V 8.19 3.68 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 0.92 0.00 0.00 0.98 0.00 0.00 49 G 8.89 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 50 A 8.02 4.53 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 51 R 8.73 5.61 0.00 2.01 2.03 0.00 3.18 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 52 R 9.30 5.15 0.00 1.73 1.89 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.43 0.00 53 L 9.11 5.21 0.00 1.74 1.54 0.96 0.55 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 54 L 9.14 5.05 0.00 1.64 1.42 0.87 0.51 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 55 N 9.67 4.17 0.00 2.95 2.88 0.00 0.00 7.01 7.25 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 56 G 8.72 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 0.00 0.00 0.00 57 E 8.56 4.58 0.00 1.70 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 2.22 1.72 0.00 58 F 8.27 4.88 0.00 2.94 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 59 L 8.71 5.11 0.00 1.82 1.69 1.07 0.97 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 60 D 9.26 5.62 0.00 2.74 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 61 T 8.89 5.15 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 1.33 0.00 0.00 62 L 8.79 4.26 0.00 0.27 1.08 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.50 4.46 1.93 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 1.44 0.87 1.08 0.00 0.00 64 A 7.75 4.64 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 65 Y 8.40 4.82 0.00 2.93 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 66 S 8.74 4.59 0.00 3.77 3.53 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 67 E 9.06 4.11 0.00 2.36 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 2.45 2.39 0.00 68 I 7.75 3.62 1.83 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 1.33 0.86 0.86 0.00 0.00 69 E 8.05 4.10 0.00 1.84 1.85 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 2.20 2.32 0.00 70 R 6.79 2.00 0.00 1.40 0.66 0.00 2.66 0.00 0.00 2.53 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.89 0.00 71 R 7.79 5.04 0.00 1.69 1.56 0.00 2.96 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 72 I 8.56 4.92 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.71 1.24 0.00 0.00 *74 Y 8.17 5.02 0.00 3.57 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.79 5.92 0.00 4.12 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 *77 D 8.80 4.78 0.00 2.77 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 78 E 8.14 4.76 0.00 1.76 1.72 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 2.25 2.41 0.00 79 G 7.99 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.52 0.00 1.97 2.03 0.00 2.62 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 81 S 8.47 4.91 0.00 3.72 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.93 0.00 2.08 2.08 0.00 2.30 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 83 V 7.24 4.17 1.80 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 0.37 0.00 0.00 0.86 0.00 0.00 84 S 8.11 5.07 0.00 3.92 3.91 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 0.00 0.00 0.00 85 S 8.46 4.50 0.00 4.05 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 0.00 86 G 7.68 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.25 4.61 0.00 2.17 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 2.36 2.35 0.00 88 I 7.58 5.29 2.15 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.82 0.94 0.00 0.00 89 Y 8.41 4.99 0.00 3.24 3.08 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 90 N 9.07 4.48 0.00 2.94 2.99 0.00 0.00 6.45 7.48 0.00 0.00 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 8.09 4.69 0.00 3.25 2.97 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 92 V 8.70 4.89 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 0.86 0.00 0.00 0.97 0.00 0.00 93 G 8.72 4.31 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 0.00 94 N 9.31 5.01 0.00 2.73 2.69 0.00 0.00 6.74 6.23 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 95 L 8.81 4.63 0.00 0.41 1.12 0.12 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 96 H 8.89 5.26 0.00 3.16 3.03 0.00 5.79 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.03 5.11 0.00 1.34 1.40 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.78 4.90 0.00 1.65 1.47 0.95 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.72 0.00 2.03 1.99 0.00 3.68 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 100 V 8.59 4.17 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 1.05 0.00 0.00 1.01 0.00 0.00 101 T 8.33 3.93 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 102 I 7.90 3.72 1.86 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 1.46 0.68 0.90 0.00 0.00 103 D 7.67 4.80 0.00 2.75 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 7.71 4.31 0.00 2.92 2.71 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 0.00 105 T 7.59 5.21 4.45 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 1.32 0.00 0.00 106 T 8.37 5.00 4.14 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 1.18 0.00 0.00 107 F 9.35 5.04 0.00 3.07 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 0.00 108 V 8.13 4.59 1.90 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 0.80 0.00 0.00 0.81 0.00 0.00 109 E 8.80 4.81 0.00 1.90 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 2.37 2.28 0.00 110 W 8.79 5.33 0.00 3.24 2.45 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 0.00 111 S 9.46 5.44 0.00 3.88 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 0.00 112 G 9.08 4.84 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 0.00 0.00 0.00 113 S 8.61 5.15 0.00 3.70 3.82 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 0.00 114 W 8.00 5.39 0.00 3.44 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 0.00 115 E 8.63 4.50 0.00 1.16 1.15 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 1.94 2.02 0.00 116 S 7.97 4.95 0.00 4.17 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 0.00 117 A 9.10 4.23 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 0.00 118 S 8.07 4.80 0.00 3.99 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 0.00 119 T 8.26 4.60 4.31 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 1.22 0.00 0.00 120 E 8.08 3.88 0.00 2.01 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 0.00 2.34 2.31 0.00 121 A 8.19 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 0.00 122 V 8.34 3.94 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.12 0.00 0.00 123 E 8.52 4.12 0.00 2.11 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 2.43 2.35 0.00 124 Y 7.64 3.84 0.00 3.03 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 *126 N 8.23 4.79 0.00 3.12 2.93 0.00 0.00 7.05 7.05 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 0.00 127 T 7.85 3.77 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 128 V 7.21 3.17 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 0.30 0.00 0.00 0.31 0.00 0.00 129 Y 7.23 4.04 0.00 2.91 2.74 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 0.00 130 R 8.16 3.97 0.00 1.91 1.98 0.00 3.26 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 131 S 7.91 4.04 0.00 3.82 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 0.00 132 L 7.89 3.99 0.00 1.93 2.01 0.51 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.40 4.33 0.00 1.81 1.84 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.36 4.05 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 0.00 135 D 8.29 4.34 0.00 3.05 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 0.00 136 L 7.86 4.16 0.00 2.05 2.09 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.49 4.24 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.10 4.01 1.39 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 0.00 0.00 0.00 139 E 8.10 3.99 0.00 1.84 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.82 0.00 140 F 7.73 4.90 0.00 3.16 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 0.00 141 T 7.65 4.62 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 1.24 0.00 0.00 142 S 8.92 5.07 0.00 3.86 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 0.00 143 E 7.90 4.58 0.00 2.08 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 2.33 0.00 144 S 8.05 4.17 0.00 3.87 4.18 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 0.00 145 R 7.47 4.45 0.00 1.82 1.90 0.00 3.27 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 146 R 7.58 4.26 0.00 1.87 1.79 0.00 3.30 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 * Residues marked with a * may have inaccurate shift predictions.