NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0454 8.1633 120.7372 55.2056 33.8931 173.9261 2 R 4.9738 8.7840 120.8730 52.0157 34.3296 169.5497 3 V 5.0633 8.5093 121.4907 60.0189 36.0516 174.0241 4 V 4.7230 9.0815 123.0566 61.4873 33.9504 174.2513 5 I 4.9604 8.9815 130.2328 59.9885 39.1394 174.7002 6 Q 5.1303 8.6637 126.6829 53.8055 31.6434 175.2256 7 R 4.4335 8.9570 125.3709 56.3003 31.5190 175.6323 8 V 5.0494 8.5465 118.1623 59.7762 35.5205 176.2971 9 K 4.5184 9.3762 121.3229 56.1468 32.8940 177.1364 10 G 4.6846 7.4396 110.7035 45.8919 0.0000 171.2441 11 A 5.2965 8.1899 120.9588 50.6960 23.4744 175.4649 12 I 4.8628 8.5735 121.6151 59.4234 40.6478 174.2374 13 L 5.0492 9.6433 130.5265 53.6331 44.1141 175.3629 14 S 5.3611 8.8989 120.7790 57.1601 67.8187 173.1015 15 V 5.0528 8.4932 114.0046 59.6394 36.7133 176.3356 16 R 4.1040 8.5411 119.1011 56.9816 31.0313 177.6152 *26 E 4.2054 8.2463 114.6746 55.6022 31.6328 175.9184 27 L 4.3115 7.9716 119.1339 54.5624 43.1753 175.2519 28 E 4.6532 9.4220 125.0483 54.3374 31.7351 174.8530 29 I 4.6547 8.4714 128.6810 61.3429 37.3062 175.7653 30 I 4.5592 8.6898 119.1916 60.7971 39.7598 176.0103 31 S 4.7763 7.8346 117.6285 56.7680 67.2055 172.9424 32 E 5.4316 8.5922 123.3496 55.3201 32.3916 173.9771 33 I 4.6119 8.5937 119.9964 58.6116 41.4517 175.2594 34 K 4.5738 8.4498 126.4012 55.8149 31.2128 177.1076 35 N 4.7917 8.6169 123.0051 54.2212 40.1205 173.8612 36 G 5.2011 7.3414 111.1206 46.4585 0.0000 173.5736 37 L 5.2891 8.0607 123.8228 52.6733 46.2810 174.1443 38 I 4.6760 8.4433 122.5706 59.6308 40.2863 174.0367 39 C 4.8355 9.0297 128.4888 58.1305 30.0448 173.1138 40 F 4.7723 9.6103 125.0757 56.6999 39.9080 174.7222 41 L 5.1975 9.4948 127.3418 53.2330 44.6010 175.1461 42 G 4.5718 9.4838 114.2926 45.6271 0.0000 172.1343 43 I 5.2758 8.8598 124.0646 59.6903 40.1749 173.9321 44 H 4.3997 10.2047 127.7925 54.8919 31.0419 176.1798 45 K 3.9827 8.2576 126.6564 59.7920 31.8636 177.3932 46 N 4.8208 8.0346 112.8921 53.2195 38.5990 175.0399 47 D 4.6073 8.0084 119.1491 54.3091 41.6098 175.8940 48 T 4.9367 8.2066 110.0797 58.6652 72.0954 174.6290 49 W 4.6973 9.3574 131.5408 61.1149 30.4520 177.9771 50 E 3.9547 8.3623 117.9001 59.0591 28.8146 178.8125 51 D 4.3256 8.6780 119.3710 57.3333 41.0680 178.1695 52 A 3.9140 8.2304 120.7519 55.3911 18.0691 179.5210 53 L 3.3525 7.2327 116.9437 57.7657 41.4797 178.8700 54 Y 4.0022 7.5294 118.9095 60.8651 38.6789 178.1241 55 I 3.5989 7.9285 120.6634 64.5573 37.2292 178.3171 56 I 2.9785 7.3586 120.0135 64.3074 36.7890 178.2264 57 R 3.6897 7.6835 119.3930 59.6338 29.5985 178.5200 58 K 3.7724 7.3613 117.8534 59.5971 31.9632 178.8229 59 C 3.9989 7.8631 115.7985 63.3239 28.1981 176.2557 60 L 4.2464 8.2826 120.1867 57.2058 41.1279 178.5199 61 N 4.5761 8.0391 114.6871 53.1043 39.9067 175.9160 62 L 3.8870 7.7464 120.8476 55.5691 42.2482 176.8939 63 R 4.8450 8.3967 122.3592 55.0224 29.0322 176.0043 64 L 4.2782 8.4321 119.1403 53.5324 42.5956 176.1674 65 W 4.9173 8.2848 120.0731 54.5463 31.6257 175.1181 66 N 4.7659 8.9343 121.0144 53.7534 39.2769 174.6541 67 N 4.6545 8.9042 123.2154 52.5911 37.2855 173.5329 68 D 4.8202 8.1092 125.4842 54.1934 39.8057 175.1908 69 N 4.7950 7.7087 112.9721 52.7769 39.4024 174.7954 70 K 4.1622 7.7837 118.6486 55.0840 30.6514 175.7738 71 T 3.9954 8.2510 112.3563 62.4235 69.2311 175.0299 72 W 4.5023 7.5785 118.8797 57.6584 26.0370 173.3350 73 D 4.9104 8.6546 119.6736 54.2311 43.2484 176.3674 74 K 4.6852 7.9766 116.9775 54.3753 35.9263 175.4651 75 N 5.5864 8.9516 119.5670 50.5574 39.8935 176.0387 76 V 3.2457 7.7075 119.0727 64.7997 31.1748 178.5300 77 K 3.4701 7.7883 118.5424 59.0859 31.8710 178.6065 78 D 4.4220 8.5011 118.2056 56.8292 40.7915 178.1440 79 L 4.0031 6.7299 115.4670 53.1145 42.1144 176.1354 80 N 4.7219 7.7460 114.8929 53.7946 36.6186 174.0329 81 Y 4.9481 7.3425 116.7889 57.3975 40.2150 174.4619 82 E 4.9773 8.7766 117.7437 55.0677 33.2532 175.4907 83 L 5.1643 8.7982 122.5648 52.9142 45.1329 175.2363 84 L 4.8858 8.8838 125.2576 53.5300 44.0962 174.9423 85 I 4.6584 8.3386 128.2585 60.0123 39.1893 175.2231 86 V 4.4410 8.5023 126.2912 61.0118 34.7933 174.4050 87 S 4.7814 8.8240 122.9290 58.4683 61.9899 173.0548 88 Q 4.4415 9.0697 130.7822 54.4081 28.1402 175.8038 89 F 4.4684 8.5400 121.3128 59.2853 38.4382 177.9861 90 T 3.1692 6.6399 110.0344 62.8101 68.3262 175.1015 91 L 4.1911 7.5700 121.0323 56.1547 41.9357 176.8161 92 F 4.9880 8.0456 118.7476 56.9215 39.5223 176.5494 93 G 3.7174 7.9462 107.4040 45.7696 0.0000 173.9065 94 N 4.7386 8.8904 127.8168 52.7339 39.7107 175.2160 95 T 4.6215 8.2969 114.7024 61.1909 69.8790 175.0250 96 K 4.0523 7.9243 122.6463 59.7753 31.9936 178.4844 97 K 4.3874 8.2073 117.2969 56.1724 32.7117 175.1468 98 G 3.7707 7.5599 104.2428 44.0616 0.0000 173.1805 99 N 4.5657 8.5439 115.2619 53.7374 40.2478 174.8344 100 K 4.1809 7.8027 118.7508 54.4866 31.4937 174.2139 101 P 4.2033 0.0000 0.0000 62.1429 31.9619 175.8502 102 D 4.3289 8.2565 122.8663 53.4289 41.8077 177.1166 103 F 5.7317 8.1258 129.4000 56.5253 38.8467 176.0897 104 H 4.5499 8.0454 121.7996 59.2497 29.4700 178.2088 105 L 4.0742 7.9373 117.2393 56.1353 42.4743 176.6575 106 A 4.1482 7.3975 121.3910 51.0019 18.7917 177.5193 107 K 3.8232 8.5814 125.5848 56.7292 32.7637 176.6598 108 E 4.0930 8.9937 124.9280 56.1263 29.6112 176.3274 109 P 4.7527 0.0000 0.0000 65.2857 31.3332 178.8328 110 N 4.3419 8.5214 115.8311 56.2516 38.6378 177.3432 111 E 4.0698 8.6026 119.5875 58.7867 29.4278 179.0948 112 A 4.1207 8.5145 121.6177 55.2457 18.6004 179.0304 113 L 3.1823 7.2132 117.9689 58.3326 41.8553 179.2428 114 I 3.6765 7.2774 118.5296 64.4080 37.0225 178.1049 115 F 4.1840 8.1569 121.1880 61.5198 39.2179 176.1518 116 Y 4.3168 8.6758 119.5301 61.3026 38.5157 178.2173 117 N 4.3259 8.3450 116.8757 56.0374 38.5567 177.4353 118 K 3.8943 7.9838 121.0469 59.2146 32.1527 178.7198 119 I 3.7424 8.1193 120.5130 64.6629 37.0768 178.0564 120 I 3.7214 7.8901 120.5665 64.7540 36.9991 178.2154 121 D 4.3671 8.4046 119.6350 57.4010 40.6012 178.5421 122 E 4.0351 9.0037 120.1022 59.2263 29.4488 178.3936 123 F 4.2459 8.6202 117.1904 60.8387 39.3464 177.3678 124 K 4.2534 8.6252 117.9737 59.7789 31.7538 179.4071 125 K 4.0999 8.5092 118.3979 59.1766 32.2301 178.1226 126 Q 4.3505 8.7933 117.0641 57.2496 29.2319 175.2046 127 Y 5.1294 8.2858 121.3515 57.1613 45.7431 173.3476 128 N 4.8725 7.9330 113.3078 52.3573 42.6195 174.9219 129 D 4.1834 8.6932 124.3879 57.0013 41.5219 176.5801 130 D 4.6226 9.0677 117.3128 54.5925 41.4486 176.8216 131 K 4.3026 7.2846 118.0494 56.7060 34.0738 176.1635 132 I 4.5218 7.4951 120.7770 59.9819 38.3685 175.4525 133 K 4.7661 8.9166 125.9782 54.4565 35.6663 175.3428 134 I 4.8424 8.3175 116.7526 59.2376 40.1458 176.9398 135 G 3.9707 8.1535 112.1484 45.8410 0.0000 172.7601 136 K 4.5669 8.4811 123.0391 53.9859 33.9479 176.2663 137 F 3.8590 9.0167 129.1513 59.5816 39.4739 174.6742 138 G 3.8021 7.9819 115.4426 46.5079 0.0000 172.5648 139 N 5.0832 7.4735 114.8332 50.4712 41.4375 174.2215 140 Y 4.0122 8.5884 121.6288 58.3487 39.3652 175.3131 141 M 5.1272 7.6631 125.1576 53.4796 36.3693 174.5619 142 N 4.8031 9.0718 118.9490 52.1584 42.1190 173.3516 143 I 4.6461 8.3328 127.5755 59.5036 39.5116 175.7690 144 D 4.5986 8.7407 128.1292 54.2785 40.0908 175.2369 145 V 4.3878 8.1136 122.7035 61.8470 33.4518 175.3284 146 T 4.5030 8.4821 124.1646 61.6789 70.2520 172.8074 147 N 4.7916 8.6528 124.5350 53.2461 39.2564 175.5886 148 D 4.2432 9.7513 126.2436 51.8285 39.4635 175.7282 149 G 4.3625 8.2860 117.6147 44.9734 0.0000 169.3734 150 P 4.3573 0.0000 0.0000 61.2644 33.0292 176.2268 151 V 4.2542 7.9863 117.5944 61.6593 33.8591 173.6448 152 T 5.0994 8.4254 124.3725 61.8185 70.6018 174.2970 153 I 4.6314 8.9854 126.3700 59.5313 41.0145 173.7200 154 Y 5.2494 8.6696 126.3547 55.8820 41.4157 174.5986 155 I 4.5508 7.8840 126.0351 59.3626 41.6083 173.7332 156 D 5.2357 8.4349 125.7489 52.5172 43.2187 176.6456 157 T 3.9175 9.2946 117.9399 64.6811 69.2014 176.3091 158 H 4.1851 8.4952 121.4968 59.0652 29.9133 175.5209 159 D 4.5881 7.7740 116.3411 54.5319 40.2847 175.2524 160 I 4.5935 7.7036 120.7040 59.7142 41.1811 175.1379 161 N 4.5079 8.3462 117.4034 53.3090 37.2668 174.3352 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 1 M 8.16 5.05 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 8.78 4.97 0.00 1.45 1.54 0.00 2.26 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 3 V 8.51 5.06 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 0.63 0.00 0.00 1.03 0.00 0.00 4 V 9.08 4.72 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.01 0.00 0.00 5 I 8.98 4.96 1.84 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 1.27 0.47 0.90 0.00 0.00 6 Q 8.66 5.13 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.02 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 7 R 8.96 4.43 0.00 1.49 1.74 0.00 2.21 0.00 0.00 2.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.98 0.00 8 V 8.55 5.05 2.39 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 0.94 0.00 0.00 1.02 0.00 0.00 9 K 9.38 4.52 0.00 1.62 1.85 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.43 7.81 10 G 7.44 4.68 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 0.00 0.00 0.00 11 A 8.19 5.30 1.21 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 0.00 0.00 0.00 12 I 8.57 4.86 1.88 0.00 0.00 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 1.11 1.09 0.92 0.00 0.00 13 L 9.64 5.05 0.00 1.53 1.59 0.87 0.72 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 14 S 8.90 5.36 0.00 3.82 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 15 V 8.49 5.05 2.14 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 0.94 0.00 0.00 1.03 0.00 0.00 16 R 8.54 4.10 0.00 1.79 1.80 0.00 3.05 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 *26 E 8.25 4.21 0.00 1.73 1.76 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 2.13 2.40 0.00 27 L 7.97 4.31 0.00 1.68 1.71 0.97 0.99 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 28 E 9.42 4.65 0.00 1.94 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 0.00 2.21 2.26 0.00 29 I 8.47 4.65 1.88 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 1.41 0.66 0.92 0.00 0.00 30 I 8.69 4.56 1.88 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 1.24 0.68 0.93 0.00 0.00 31 S 7.83 4.78 0.00 3.73 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 32 E 8.59 5.43 0.00 1.93 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 33 I 8.59 4.61 1.86 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 1.21 0.56 0.94 0.00 0.00 34 K 8.45 4.57 0.00 1.70 1.50 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.51 7.81 35 N 8.62 4.79 0.00 1.44 2.41 0.00 0.00 6.62 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.34 5.20 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 0.00 0.00 0.00 37 L 8.06 5.29 0.00 1.65 1.58 1.11 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.44 4.68 1.86 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.30 1.12 0.00 0.00 39 C 9.03 4.84 0.00 2.82 2.91 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 40 F 9.61 4.77 0.00 2.91 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 41 L 9.49 5.20 0.00 1.84 1.81 1.09 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.48 4.57 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 0.00 0.00 0.00 43 I 8.86 5.28 2.11 0.00 0.00 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 1.66 1.06 0.98 0.00 0.00 44 H 10.20 4.40 0.00 3.18 3.44 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.26 3.98 0.00 1.51 1.74 0.00 1.86 0.00 0.00 1.48 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.39 7.81 46 N 8.03 4.82 0.00 2.78 2.83 0.00 0.00 6.93 8.06 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 47 D 8.01 4.61 0.00 2.49 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 0.00 0.00 0.00 0.00 48 T 8.21 4.94 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 1.32 0.00 0.00 49 W 9.36 4.70 0.00 3.48 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.36 3.95 0.00 2.06 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 2.50 2.39 0.00 51 D 8.68 4.33 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 52 A 8.23 3.91 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 53 L 7.23 3.35 0.00 1.54 1.46 0.78 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.53 4.00 0.00 3.13 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 55 I 7.93 3.60 1.97 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 1.78 0.99 0.95 0.00 0.00 56 I 7.36 2.98 1.31 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.21 -0.18 0.00 0.00 57 R 7.68 3.69 0.00 1.70 2.01 0.00 3.02 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.57 0.00 58 K 7.36 3.77 0.00 1.71 1.64 0.00 1.57 0.00 0.00 1.42 0.00 0.00 2.60 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.88 1.02 7.81 59 C 7.86 4.00 0.00 3.40 3.25 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 60 L 8.28 4.25 0.00 1.89 1.65 0.95 0.66 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 61 N 8.04 4.58 0.00 2.75 2.81 0.00 0.00 7.06 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 62 L 7.75 3.89 0.00 1.69 1.53 0.81 0.62 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 63 R 8.40 4.85 0.00 1.95 2.10 0.00 3.11 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 64 L 8.43 4.28 0.00 1.05 1.06 0.72 0.36 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 65 W 8.28 4.92 0.00 3.64 3.09 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 66 N 8.93 4.77 0.00 2.75 2.67 0.00 0.00 6.71 6.92 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 67 N 8.90 4.65 0.00 2.85 2.73 0.00 0.00 7.10 8.04 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 68 D 8.11 4.82 0.00 2.89 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 7.71 4.79 0.00 2.74 2.85 0.00 0.00 6.05 7.13 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 70 K 7.78 4.16 0.00 1.88 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.53 7.81 71 T 8.25 4.00 3.60 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 0.74 0.00 0.00 72 W 7.58 4.50 0.00 3.38 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 73 D 8.65 4.91 0.00 2.84 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 74 K 7.98 4.69 0.00 1.85 1.60 0.00 1.68 0.00 0.00 1.87 0.00 0.00 3.22 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.35 7.81 75 N 8.95 5.59 0.00 3.17 3.11 0.00 0.00 6.63 7.07 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 76 V 7.71 3.25 2.41 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 0.96 0.00 0.00 1.10 0.00 0.00 77 K 7.79 3.47 0.00 1.40 0.75 0.00 1.23 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.20 1.42 7.81 78 D 8.50 4.42 0.00 2.56 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 79 L 6.73 4.00 0.00 0.48 0.13 0.16 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.75 4.72 0.00 2.73 2.93 0.00 0.00 6.97 7.30 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 81 Y 7.34 4.95 0.00 2.61 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 82 E 8.78 4.98 0.00 1.92 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 0.00 2.18 2.28 0.00 83 L 8.80 5.16 0.00 1.44 1.35 1.11 0.77 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 84 L 8.88 4.89 0.00 1.64 1.44 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.34 4.66 1.69 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.65 0.94 0.00 0.00 86 V 8.50 4.44 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 0.65 0.00 0.00 0.65 0.00 0.00 87 S 8.82 4.78 0.00 3.59 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 88 Q 9.07 4.44 0.00 2.47 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 89 F 8.54 4.47 0.00 3.37 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 90 T 6.64 3.17 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 0.01 0.00 0.00 91 L 7.57 4.19 0.00 1.49 1.37 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.05 4.99 0.00 3.23 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 93 G 7.95 3.72 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 0.00 0.00 0.00 94 N 8.89 4.74 0.00 2.90 2.65 0.00 0.00 6.46 6.74 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 95 T 8.30 4.62 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 1.13 0.00 0.00 96 K 7.92 4.05 0.00 1.59 1.90 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.37 7.81 97 K 8.21 4.39 0.00 1.67 1.75 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.47 7.81 98 G 7.56 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.54 4.57 0.00 2.69 2.84 0.00 0.00 6.70 7.61 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 0.00 100 K 7.80 4.18 0.00 1.71 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.48 7.81 101 P 0.00 4.20 0.00 1.19 1.66 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 102 D 8.26 4.33 0.00 2.66 2.43 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 0.00 103 F 8.13 5.73 0.00 3.31 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.05 4.55 0.00 3.31 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.94 4.07 0.00 1.48 1.24 1.03 0.91 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 0.00 106 A 7.40 4.15 1.56 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 0.00 107 K 8.58 3.82 0.00 1.73 1.77 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.47 7.81 108 E 8.99 4.09 0.00 2.21 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 2.35 2.40 0.00 109 P 0.00 4.75 0.00 2.23 2.27 0.00 3.58 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 2.07 2.08 0.00 110 N 8.52 4.34 0.00 3.09 2.83 0.00 0.00 6.85 7.27 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 0.00 111 E 8.60 4.07 0.00 2.04 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 2.33 2.42 0.00 112 A 8.51 4.12 1.66 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 0.00 0.00 113 L 7.21 3.18 0.00 1.25 1.64 0.44 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.28 3.68 1.91 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 1.41 1.07 1.01 0.00 0.00 115 F 8.16 4.18 0.00 3.31 3.36 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 0.00 116 Y 8.68 4.32 0.00 3.37 3.23 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 0.00 117 N 8.35 4.33 0.00 2.85 2.87 0.00 0.00 6.75 7.60 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 0.00 118 K 7.98 3.89 0.00 1.74 1.76 0.00 1.28 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 1.06 7.81 119 I 8.12 3.74 2.01 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.66 1.11 0.00 0.00 120 I 7.89 3.72 1.93 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 0.86 0.00 0.00 121 D 8.40 4.37 0.00 2.88 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 0.00 122 E 9.00 4.04 0.00 2.54 2.14 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 2.38 2.32 0.00 123 F 8.62 4.25 0.00 3.33 3.03 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 0.00 124 K 8.63 4.25 0.00 2.05 1.89 0.00 1.80 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.48 7.81 125 K 8.51 4.10 0.00 1.80 1.88 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.50 7.81 126 Q 8.79 4.35 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 127 Y 8.29 5.13 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 7.93 4.87 0.00 2.11 1.81 0.00 0.00 6.54 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 0.00 129 D 8.69 4.18 0.00 2.62 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 0.00 130 D 9.07 4.62 0.00 2.62 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 0.00 131 K 7.28 4.30 0.00 1.12 1.74 0.00 1.74 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.95 0.82 7.81 132 I 7.50 4.52 1.78 0.00 0.00 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 1.51 0.78 0.63 0.00 0.00 133 K 8.92 4.77 0.00 1.77 1.61 0.00 1.45 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.35 7.81 134 I 8.32 4.84 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.70 0.93 0.00 0.00 135 G 8.15 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 0.00 0.00 0.00 136 K 8.48 4.57 0.00 1.78 1.68 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.43 7.81 137 F 9.02 3.86 0.00 2.80 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 0.00 138 G 7.98 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 0.00 139 N 7.47 5.08 0.00 2.93 2.76 0.00 0.00 6.78 8.16 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 0.00 140 Y 8.59 4.01 0.00 2.95 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 M 7.66 5.13 0.00 1.80 1.77 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 142 N 9.07 4.80 0.00 2.97 2.73 0.00 0.00 7.23 7.58 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 0.00 143 I 8.33 4.65 1.90 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 1.31 0.79 0.93 0.00 0.00 144 D 8.74 4.60 0.00 2.62 2.65 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 0.00 145 V 8.11 4.39 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 0.00 146 T 8.48 4.50 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 1.22 0.00 0.00 147 N 8.65 4.79 0.00 2.61 2.77 0.00 0.00 7.05 8.06 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 0.00 148 D 9.75 4.24 0.00 2.68 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 0.00 149 G 8.29 4.36 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 0.00 150 P 0.00 4.36 0.00 2.18 2.06 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 151 V 7.99 4.25 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 0.58 0.00 0.00 1.06 0.00 0.00 152 T 8.43 5.10 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 1.19 0.00 0.00 153 I 8.99 4.63 1.80 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.76 0.85 0.00 0.00 154 Y 8.67 5.25 0.00 2.86 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 0.00 155 I 7.88 4.55 1.76 0.00 0.00 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 1.10 0.75 1.00 0.00 0.00 156 D 8.43 5.24 0.00 2.72 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 9.29 3.92 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 1.46 0.00 0.00 158 H 8.50 4.19 0.00 3.08 3.68 0.00 5.94 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.77 4.59 0.00 2.90 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 0.00 160 I 7.70 4.59 1.53 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 1.48 0.57 0.54 0.00 0.00 161 N 8.35 4.51 0.00 2.73 2.69 0.00 0.00 5.78 7.56 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 * Residues marked with a * may have inaccurate shift predictions.