NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 K 4.4930 8.2729 124.0594 55.5894 34.3960 174.2814 29 V 4.6175 8.1490 114.4945 60.9938 35.6527 165.0115 30 V 4.3894 9.1113 124.9420 60.5499 34.1127 173.6539 31 K 5.1988 8.7498 129.7095 54.9616 34.0578 174.9010 32 F 5.1556 8.5317 121.0869 56.3626 41.8616 172.5021 33 S 4.8142 8.5807 112.5376 57.2917 66.2751 172.6736 34 Y 4.5823 8.2976 120.9008 56.1678 42.1291 172.9850 35 M 4.9702 7.9536 126.0128 53.5698 34.3071 174.4044 36 W 4.8550 9.4211 135.0000 56.0305 33.4038 174.0008 37 T 4.8343 8.8394 124.2153 62.0723 69.9145 174.2623 38 I 4.1601 8.5936 128.7115 59.5343 38.3100 175.2255 39 N 4.7365 8.7417 124.5938 53.0521 39.7696 174.6937 40 N 4.5906 8.7513 115.1134 53.0541 36.6494 176.4394 41 F 4.1747 8.6627 122.1681 61.3581 39.8515 177.0440 42 S 4.0918 8.7364 114.0287 60.5917 62.7078 174.8906 43 F 4.3210 8.0821 118.2444 57.6482 39.1967 175.8459 44 C 3.9645 7.6083 119.3906 60.7009 28.1106 173.8969 45 R 4.4209 7.8576 121.8592 55.6818 30.1853 176.3318 46 E 4.1657 7.9610 118.8647 56.7297 29.7790 176.9435 47 E 4.3378 9.1465 124.0873 54.8374 30.8392 175.5259 48 M 4.2997 8.4329 119.1305 57.9380 32.2155 176.2576 49 G 4.0846 9.2909 115.2562 44.7226 0.0000 173.5343 50 E 4.3926 8.1946 119.8606 55.7973 30.4174 175.7594 51 V 4.8621 8.0937 120.2753 60.0633 34.9525 174.5936 52 I 4.8255 9.1408 123.3489 59.5068 39.9549 174.7984 53 K 5.1194 8.8090 125.7224 55.1967 34.9795 176.0797 54 S 4.1472 7.8745 117.5754 57.1340 64.3788 173.6872 55 S 4.4344 8.3300 116.2830 58.6706 63.2999 174.6096 56 T 4.4504 8.2105 111.8586 61.7823 69.8264 173.4993 57 F 5.1564 8.6111 117.7284 55.9948 42.1517 173.0287 58 S 4.7135 8.4090 112.8540 57.4209 65.3234 173.9134 59 S 3.9706 8.8045 114.1105 59.0993 63.0381 176.0833 60 G 4.8392 7.2447 121.2689 46.9233 0.0000 172.5771 *63 D 4.2948 7.5916 118.0851 53.7503 41.9071 175.2410 64 K 4.1575 8.5647 124.6004 57.7247 32.7658 176.8131 65 L 4.6130 7.9818 119.0360 53.4555 43.2161 176.3645 66 K 4.6090 8.3433 120.6591 54.4108 35.7765 175.5147 67 W 5.0462 8.7902 124.0202 54.9979 33.2383 173.9218 68 C 4.9052 8.8006 115.2565 57.2299 33.1834 172.7425 69 L 5.1124 8.5560 119.3503 53.4986 44.0499 176.1320 70 R 5.3743 8.9922 119.7765 54.6002 34.5271 174.6628 71 V 5.0735 9.5740 123.0441 60.1193 35.1009 174.5565 72 N 5.4357 9.1080 121.3619 50.3904 39.0296 173.8225 73 P 4.5131 0.0000 0.0000 64.7430 31.7362 177.8459 74 K 4.5049 8.1531 116.6923 55.8562 32.7999 176.8783 75 G 4.4031 8.1588 104.4343 45.0807 0.0000 175.3889 76 L 4.0861 8.5066 121.0802 57.5658 42.6246 175.9888 77 D 4.6884 8.0896 116.1407 52.1204 42.3596 175.1325 78 E 3.9324 9.1169 121.2629 60.2008 29.5739 179.5204 79 E 4.1069 7.9343 112.7904 58.0180 30.0470 179.6121 80 S 5.0186 8.1838 111.3609 58.1021 63.2480 176.0688 81 K 4.4332 7.8193 120.7235 59.3291 32.4938 177.5769 82 D 4.5392 8.2775 118.7983 55.7280 41.2768 174.9091 83 Y 5.3446 7.8984 115.8115 55.7973 42.1930 175.1171 84 L 4.7132 9.0615 121.6056 54.9003 43.2045 176.2027 85 S 5.5166 8.8389 118.8800 56.1533 65.7011 172.8572 86 L 4.8944 8.5093 125.2940 53.6470 45.3035 174.6471 87 Y 5.2381 9.1137 122.9028 56.1984 42.9352 173.7438 88 L 5.0138 9.1839 124.7517 53.6490 44.1812 174.7061 89 L 5.2351 9.1450 128.9123 53.2075 44.8238 174.8675 90 L 3.7085 8.8444 129.0500 54.3542 42.0934 177.1718 91 V 3.5469 8.1438 127.8384 65.2358 32.2995 176.4303 92 S 4.4916 7.3433 114.2026 56.6119 65.8545 172.5573 93 C 4.6092 8.3039 127.0926 57.8325 33.3587 171.9582 94 P 4.4754 0.0000 0.0000 63.0896 30.9452 177.5535 *96 S 4.5041 8.1358 115.4148 59.2686 64.8934 172.9866 97 E 5.0720 7.6378 115.5560 55.4810 32.0950 174.9810 98 V 4.7390 9.0199 113.3363 59.9694 36.7907 174.4379 99 R 5.4416 8.7088 121.0960 54.8386 32.6943 175.1702 100 A 5.2555 9.2720 124.1049 50.6884 23.1090 175.4886 101 K 4.8288 9.0603 121.6980 55.6807 34.2591 175.9109 102 F 5.3234 8.1117 116.6225 55.5416 41.9758 173.1311 103 K 4.9168 8.9760 120.5139 54.9977 35.7496 174.8129 104 F 5.9429 9.3338 125.8932 56.1015 42.4826 174.4353 105 S 5.3195 9.5140 115.8654 57.4920 67.3364 172.3019 106 I 5.0012 8.8417 120.8588 59.6558 39.3934 175.0712 107 L 4.9531 8.6943 127.5049 53.7654 42.8310 177.0222 108 N 4.6553 8.9379 121.6453 51.5360 39.1055 175.5610 109 A 3.9517 8.4378 120.0569 55.2936 18.3526 178.6033 110 K 4.1287 8.1207 112.5530 56.6455 32.2884 177.8480 111 G 3.8623 8.3617 107.8007 45.3882 0.0000 173.6538 112 E 4.2790 8.1195 119.8928 55.5712 30.8614 176.1488 113 E 4.5752 8.6190 123.2045 56.9114 30.3462 176.0886 114 T 4.5847 8.9020 117.5555 60.3212 71.7103 173.0316 115 K 3.7309 8.5191 121.4824 57.3426 29.6849 175.5692 116 A 4.7181 7.7601 118.3444 52.2712 19.8056 178.2079 117 M 4.6280 9.3409 119.8533 53.3665 36.0409 174.2362 118 E 5.1010 8.4715 123.0895 53.8557 31.9609 175.4457 119 S 4.1130 8.4275 121.7714 58.4209 63.3659 175.5057 120 Q 4.0463 8.6758 123.1875 58.0232 28.8063 175.3986 121 R 4.7069 7.1387 112.9025 54.2170 33.0562 174.6198 122 A 4.4204 8.3964 120.7977 52.2143 19.2939 176.5460 123 Y 4.1310 9.0425 118.3913 55.8255 41.4443 175.1425 124 R 4.8992 8.3699 122.7071 56.1247 30.8039 175.4416 125 F 5.1777 10.0376 126.0294 56.2071 41.8268 175.4269 126 V 4.8872 8.1961 113.8412 58.8435 36.2308 174.7628 127 Q 3.9461 8.5668 122.7257 58.2907 28.8446 176.8591 128 G 3.8525 9.4460 114.3210 44.7888 0.0000 172.4548 129 K 4.4517 8.0240 122.1609 54.8229 33.8080 175.0148 130 D 5.7691 8.2892 125.8077 51.6005 42.4209 175.1982 131 W 5.0426 8.9984 118.4795 55.2671 33.6334 175.6134 132 G 3.5614 7.8909 108.2644 46.1440 0.0000 172.4272 133 F 4.8847 7.8304 121.5869 55.4003 40.9046 176.1450 134 K 4.0241 8.8634 128.1345 58.4440 32.7855 176.4729 135 K 4.5428 7.6009 116.9418 54.7313 31.8136 175.3405 136 F 4.5045 9.0393 124.4781 60.6836 40.3173 175.3486 137 I 4.5083 7.6236 118.8770 58.0243 41.0364 173.4548 138 R 3.7778 8.5691 126.9412 56.2119 31.1233 177.6374 139 R 4.1039 8.9115 126.4164 59.4756 29.9670 179.4910 140 G 3.5848 7.9764 103.8250 47.1563 0.0000 175.0959 141 F 4.3681 7.9155 122.4776 61.0019 39.5515 177.1123 142 L 3.6782 7.8548 118.4939 57.9580 42.0455 178.2629 143 L 4.3743 7.9326 116.0658 54.4377 42.1021 176.2026 144 D 4.5048 7.5146 122.9295 53.4969 41.9161 177.3497 145 E 3.9372 8.8981 123.0877 58.8656 29.9083 175.4849 146 A 4.0968 8.2420 120.4129 55.2135 17.4730 178.3565 147 N 4.3275 8.1763 112.9169 53.8954 38.8222 176.6443 148 G 3.9827 7.6945 105.2097 46.4407 0.0000 174.2782 149 L 4.3151 7.1607 117.5773 54.6656 42.6506 177.0382 150 L 5.3009 7.4841 117.7681 51.8240 42.0993 174.5676 151 P 4.5028 0.0000 0.0000 64.0087 32.3674 176.9286 152 D 4.1279 9.3717 119.9282 55.0969 38.4010 172.8371 153 D 4.4772 8.0601 115.6041 55.4481 40.3994 172.5335 154 K 4.8441 7.9261 115.9838 54.0487 35.2511 175.1044 155 L 4.5434 8.5741 127.1674 53.8571 43.7963 175.0250 156 T 4.9211 8.3738 122.9556 61.9754 70.9829 173.1346 157 L 5.2511 9.0140 127.2485 53.0038 44.8599 175.4947 158 F 5.3689 9.4062 124.0968 56.6399 42.6850 172.9239 159 C 5.3842 8.6094 126.4680 57.5885 34.3621 172.1037 160 E 4.7601 9.0042 125.4198 54.3744 32.3423 175.0980 161 V 4.4527 8.2172 123.5220 60.8194 35.0977 174.0508 162 S 4.9717 8.9357 122.3599 56.5424 64.9095 172.5998 163 V 4.5806 8.8363 128.7910 61.9078 32.9696 174.8896 164 V 4.4175 8.9370 129.1606 62.4892 32.1505 175.8050 165 Q 4.4057 8.3281 126.1909 56.0405 28.6406 175.5592 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 28 K 8.27 4.49 0.00 1.47 1.81 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.03 7.81 29 V 8.15 4.62 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 30 V 9.11 4.39 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 1.07 0.00 0.00 0.99 0.00 0.00 31 K 8.75 5.20 0.00 1.82 1.71 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.45 7.81 32 F 8.53 5.16 0.00 3.16 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 33 S 8.58 4.81 0.00 3.24 3.65 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 0.00 0.00 0.00 0.00 34 Y 8.30 4.58 0.00 1.43 1.67 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 35 M 7.95 4.97 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 36 W 9.42 4.85 0.00 3.43 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 37 T 8.84 4.83 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 1.22 0.00 0.00 38 I 8.59 4.16 1.61 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 -0.36 0.95 0.00 0.00 39 N 8.74 4.74 0.00 2.63 2.76 0.00 0.00 7.26 8.00 0.00 0.00 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 N 8.75 4.59 0.00 2.88 2.77 0.00 0.00 7.24 8.13 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 41 F 8.66 4.17 0.00 3.05 3.10 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 42 S 8.74 4.09 0.00 3.87 4.13 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 43 F 8.08 4.32 0.00 3.17 3.12 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 44 C 7.61 3.96 0.00 2.61 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 45 R 7.86 4.42 0.00 1.80 1.94 0.00 3.19 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 46 E 7.96 4.17 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 47 E 9.15 4.34 0.00 2.04 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 2.31 2.39 0.00 48 M 8.43 4.30 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.61 0.00 49 G 9.29 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 0.00 0.00 0.00 50 E 8.19 4.39 0.00 2.22 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 0.00 2.33 2.26 0.00 51 V 8.09 4.86 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 0.77 0.00 0.00 1.11 0.00 0.00 52 I 9.14 4.83 2.17 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.81 1.21 0.00 0.00 53 K 8.81 5.12 0.00 1.75 1.79 0.00 1.51 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.36 7.81 54 S 7.87 4.15 0.00 2.83 2.63 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 55 S 8.33 4.43 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 56 T 8.21 4.45 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 1.08 0.00 0.00 57 F 8.61 5.16 0.00 3.04 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 58 S 8.41 4.71 0.00 3.93 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 59 S 8.80 3.97 0.00 3.80 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 60 G 7.24 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 *63 D 7.59 4.29 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.56 4.16 0.00 1.74 1.79 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.42 7.81 65 L 7.98 4.61 0.00 1.53 1.15 0.93 0.91 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 66 K 8.34 4.61 0.00 1.39 1.45 0.00 1.52 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.19 1.40 7.81 67 W 8.79 5.05 0.00 1.78 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 68 C 8.80 4.91 0.00 2.94 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 69 L 8.56 5.11 0.00 0.97 1.56 1.12 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.99 5.37 0.00 1.83 1.87 0.00 3.02 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 71 V 9.57 5.07 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 1.07 0.00 0.00 1.13 0.00 0.00 72 N 9.11 5.44 0.00 2.90 3.03 0.00 0.00 6.90 8.74 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 73 P 0.00 4.51 0.00 2.02 2.09 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.26 0.00 74 K 8.15 4.50 0.00 1.82 1.81 0.00 1.90 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.39 7.81 75 G 8.16 4.40 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 0.00 76 L 8.51 4.09 0.00 1.95 1.80 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.09 4.69 0.00 2.96 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 78 E 9.12 3.93 0.00 2.10 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 2.41 2.42 0.00 79 E 7.93 4.11 0.00 2.11 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 2.26 2.12 0.00 80 S 8.18 5.02 0.00 4.23 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 81 K 7.82 4.43 0.00 1.93 2.17 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.68 1.43 7.81 82 D 8.28 4.54 0.00 2.42 2.63 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 83 Y 7.90 5.34 0.00 3.02 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 84 L 9.06 4.71 0.00 1.93 1.83 1.18 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.84 5.52 0.00 4.21 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 86 L 8.51 4.89 0.00 1.44 1.03 0.76 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 9.11 5.24 0.00 2.86 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 9.18 5.01 0.00 1.94 1.59 1.11 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 89 L 9.15 5.24 0.00 1.76 1.63 0.88 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.84 3.71 0.00 1.28 1.58 -0.55 0.37 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 91 V 8.14 3.55 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 0.62 0.00 0.00 0.78 0.00 0.00 92 S 7.34 4.49 0.00 3.73 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 93 C 8.30 4.61 0.00 2.64 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 94 P 0.00 4.48 0.00 2.18 2.07 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 *96 S 8.14 4.50 0.00 4.03 4.09 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 0.00 0.00 0.00 0.00 97 E 7.64 5.07 0.00 2.16 1.97 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 2.23 2.40 0.00 98 V 9.02 4.74 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 0.80 0.00 0.00 1.09 0.00 0.00 99 R 8.71 5.44 0.00 1.84 1.90 0.00 3.13 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 100 A 9.27 5.26 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 0.00 101 K 9.06 4.83 0.00 1.69 1.63 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.37 7.81 102 F 8.11 5.32 0.00 2.77 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 0.00 103 K 8.98 4.92 0.00 1.73 1.58 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.53 7.81 104 F 9.33 5.94 0.00 3.02 2.63 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 0.00 105 S 9.51 5.32 0.00 4.14 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 0.00 106 I 8.84 5.00 1.96 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 1.08 0.99 0.00 0.00 107 L 8.69 4.95 0.00 1.49 1.54 0.74 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.94 4.66 0.00 2.92 2.99 0.00 0.00 6.53 8.64 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 0.00 109 A 8.44 3.95 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 0.00 110 K 8.12 4.13 0.00 1.88 1.83 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.41 7.81 111 G 8.36 3.86 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 0.00 112 E 8.12 4.28 0.00 2.06 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 2.29 2.26 0.00 113 E 8.62 4.58 0.00 1.87 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 2.39 2.23 0.00 114 T 8.90 4.58 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 1.30 0.00 0.00 115 K 8.52 3.73 0.00 1.81 1.60 0.00 1.48 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.37 7.81 116 A 7.76 4.72 1.27 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 0.00 117 M 9.34 4.63 0.00 0.51 1.43 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.10 0.00 118 E 8.47 5.10 0.00 1.87 1.70 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 2.05 2.26 0.00 119 S 8.43 4.11 0.00 3.70 2.63 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 0.00 120 Q 8.68 4.05 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 121 R 7.14 4.71 0.00 1.71 1.73 0.00 2.67 0.00 0.00 2.99 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.90 0.00 122 A 8.40 4.42 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 0.00 123 Y 9.04 4.13 0.00 2.53 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 0.00 124 R 8.37 4.90 0.00 1.88 1.97 0.00 3.27 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 125 F 10.04 5.18 0.00 3.06 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 V 8.20 4.89 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 0.91 0.00 0.00 0.93 0.00 0.00 127 Q 8.57 3.95 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 128 G 9.45 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 0.00 0.00 0.00 129 K 8.02 4.45 0.00 1.83 1.94 0.00 0.94 0.00 0.00 1.41 0.00 0.00 2.66 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 0.94 7.81 130 D 8.29 5.77 0.00 2.82 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 0.00 0.00 0.00 0.00 131 W 9.00 5.04 0.00 2.93 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 0.00 132 G 7.89 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 F 7.83 4.88 0.00 3.31 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 0.00 134 K 8.86 4.02 0.00 1.93 1.87 0.00 1.88 0.00 0.00 1.95 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.68 7.81 135 K 7.60 4.54 0.00 1.37 0.74 0.00 1.56 0.00 0.00 1.10 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.61 1.14 7.81 136 F 9.04 4.50 0.00 3.28 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 7.62 4.51 1.50 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.24 1.08 0.00 0.00 138 R 8.57 3.78 0.00 1.81 1.77 0.00 3.17 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.08 0.00 139 R 8.91 4.10 0.00 1.93 1.99 0.00 3.44 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 140 G 7.98 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 0.00 0.00 0.00 141 F 7.92 4.37 0.00 3.10 3.20 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 0.00 142 L 7.85 3.68 0.00 1.74 1.73 0.81 0.83 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 0.00 143 L 7.93 4.37 0.00 1.78 1.69 0.94 1.48 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 0.00 144 D 7.51 4.50 0.00 2.75 2.59 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 0.00 0.00 0.00 0.00 145 E 8.90 3.94 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 2.32 1.89 0.00 146 A 8.24 4.10 1.27 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 0.00 147 N 8.18 4.33 0.00 2.43 2.41 0.00 0.00 6.78 8.69 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 0.00 148 G 7.69 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 0.00 0.00 0.00 149 L 7.16 4.32 0.00 1.64 1.64 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.48 5.30 0.00 1.64 1.58 1.10 1.05 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 0.00 151 P 0.00 4.50 0.00 2.20 2.16 0.00 4.04 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 152 D 9.37 4.13 0.00 2.84 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 0.00 153 D 8.06 4.48 0.00 3.02 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 0.00 154 K 7.93 4.84 0.00 1.84 1.64 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.56 7.81 155 L 8.57 4.54 0.00 0.99 1.02 0.66 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 156 T 8.37 4.92 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 1.20 0.00 0.00 157 L 9.01 5.25 0.00 1.67 1.61 0.78 0.77 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 0.00 158 F 9.41 5.37 0.00 3.04 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 0.00 159 C 8.61 5.38 0.00 3.09 2.59 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 0.00 0.00 0.00 0.00 160 E 9.00 4.76 0.00 1.80 1.65 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 0.00 1.98 1.80 0.00 161 V 8.22 4.45 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 0.00 0.00 0.17 0.00 0.00 0.39 0.00 0.00 162 S 8.94 4.97 0.00 3.80 3.64 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 0.00 163 V 8.84 4.58 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.28 0.00 0.00 164 V 8.94 4.42 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 0.83 0.00 0.00 1.02 0.00 0.00 165 Q 8.33 4.41 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.32 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.