NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1564 8.2649 123.5772 52.0566 20.2804 176.1600 *2 Y 4.9655 7.9484 117.3949 57.5332 39.4535 175.8968 3 L 3.8535 9.1020 125.0739 58.4341 41.9819 179.4826 4 A 3.5201 7.7221 120.4179 55.1177 18.0300 179.3680 5 E 3.7324 7.5129 116.3606 59.4357 29.4210 179.4849 6 A 3.9425 7.7931 120.1642 55.1686 18.5904 179.3732 7 L 3.8421 7.8399 117.2113 57.8000 41.6629 179.6877 8 A 3.9478 7.7163 120.0476 55.3661 18.3438 179.5073 9 Q 3.9425 8.1089 116.5301 59.1444 28.7161 179.1248 10 R 3.8275 8.1296 119.6408 59.5650 29.9174 178.3149 11 V 3.5510 7.5921 117.4797 66.1255 31.3888 177.3851 12 E 3.9560 8.2666 118.3811 59.3089 29.3971 178.4472 13 A 4.0129 8.1484 120.6552 55.6044 18.5415 179.7176 14 Q 3.7285 8.3177 116.1879 58.6427 28.6490 179.3661 15 R 3.9430 7.6474 120.1293 59.3064 30.1551 178.4101 16 R 3.9201 8.3068 118.2696 59.5684 30.0347 177.9488 17 Y 4.1009 8.7599 119.6694 61.1812 38.7175 178.0938 18 S 4.0315 8.5559 113.6106 61.7165 62.3259 176.3553 19 E 3.9436 8.2106 120.9011 59.3102 29.2767 179.0744 20 L 3.8914 8.5713 119.6647 57.7556 41.5449 178.8258 21 N 4.0059 8.5514 117.8526 56.8797 38.8555 176.3012 22 Q 3.9517 7.9515 120.4999 59.1050 29.0822 177.6132 23 L 3.8552 8.0404 121.1979 58.3598 41.8441 178.5028 24 L 3.8282 7.7965 118.8509 58.5570 42.2833 178.7304 25 L 4.1077 7.6350 118.4737 57.8896 41.3420 179.3605 26 D 4.3610 7.7325 117.5118 57.2248 40.9489 178.5878 27 V 3.9008 7.7929 116.1129 62.5823 31.7997 177.4259 28 A 4.1656 7.7241 121.6807 54.3296 18.5943 176.5176 29 K 4.6484 7.7117 114.7867 55.6534 35.7858 174.9593 30 V 4.0785 7.4700 112.0912 62.3454 34.2019 170.8069 31 Q 4.5062 8.3814 120.5411 54.8298 30.2767 177.8266 32 E 3.0997 6.7856 112.7716 55.9822 31.1500 177.9768 33 G 4.1997 7.8408 112.5646 45.4114 0.0000 172.8484 34 D 4.8727 7.2637 123.2490 54.1063 41.4606 176.5066 35 Q 4.5287 7.9973 120.8763 55.4738 32.5382 171.9849 36 P 4.3500 0.0000 0.0000 62.2997 31.6280 176.3110 37 A 4.0528 8.6767 127.5011 54.6943 18.3405 176.2764 38 E 4.6148 7.6853 112.5668 53.6150 33.3221 174.5327 39 N 4.6583 8.4814 118.9339 52.5326 39.5328 172.8815 40 P 3.9927 0.0000 0.0000 66.7038 31.5385 177.6939 41 H 3.9628 8.1528 114.2993 59.1367 28.6475 177.7871 42 E 3.9315 8.1793 119.7406 59.5565 29.5061 179.0915 43 I 3.6364 8.0869 120.2121 64.3423 37.1705 178.1339 44 L 3.9051 8.6293 121.7071 58.4669 41.9427 179.2464 45 T 4.5715 7.6638 110.5225 64.4302 68.8078 176.0457 46 E 3.9498 8.4246 121.6493 59.2004 29.3622 179.3311 47 L 3.9275 7.6570 119.5474 58.2495 42.1722 178.8754 48 E 4.0266 8.2672 118.1247 59.0020 29.1591 179.2413 49 E 4.0440 8.2488 119.1432 59.0351 29.5574 178.7763 50 L 4.0151 7.7940 118.5954 58.3298 41.6590 179.3475 51 T 4.2349 8.2849 115.8325 67.2880 68.2996 176.6475 52 T 3.8839 7.6188 110.3715 64.1824 68.9864 176.2135 53 R 4.0388 7.6733 121.9535 59.3675 30.2775 177.9245 54 I 3.6558 8.5368 120.7815 64.8492 37.1761 178.2099 55 N 4.3546 8.3921 116.6949 55.8575 38.1313 176.9745 56 D 4.2414 7.9224 119.9847 57.2674 41.3716 177.8301 57 L 3.9143 7.9508 118.9151 57.9680 41.5692 179.7240 58 V 3.6015 7.9076 117.7627 66.2539 31.5621 178.2343 59 R 3.8990 7.7578 117.2971 59.2720 29.7485 179.4484 60 R 3.8596 8.2318 117.8719 59.2382 30.1586 178.6763 61 I 3.6458 8.2468 120.1381 64.7208 36.9396 177.6919 62 N 4.2193 8.4345 115.7539 56.7430 38.8583 177.0715 63 R 4.0599 7.8932 118.7020 59.8451 30.3014 179.1204 64 T 3.8729 8.1645 112.7722 65.2153 67.0691 175.7433 65 N 4.3969 8.3038 118.2736 55.9051 38.5865 176.4094 66 S 4.6753 7.5512 112.5021 58.3076 63.5111 174.8115 67 V 4.3604 7.3697 119.9866 62.8970 33.3964 175.3892 68 T 4.2651 7.9245 117.5702 62.5642 69.1195 173.3670 69 E 4.5080 8.6585 127.4967 55.6691 30.4206 175.7353 70 F 4.3739 8.8889 128.6288 60.3402 40.0620 174.7048 71 S 4.2754 7.8253 111.6280 57.1010 64.8779 172.7378 72 E 3.7074 7.9166 122.2141 57.3430 28.9526 175.3783 73 G 3.4602 8.3549 116.2093 46.2052 0.0000 171.2904 *75 T 4.3007 7.2053 112.1855 61.6270 71.7388 174.7211 76 L 4.0198 8.5487 122.0660 57.8533 41.8233 178.8700 77 A 3.9579 7.9052 120.6801 55.0324 18.3876 179.1539 78 D 4.2456 8.2532 117.5864 57.3841 40.8021 178.8290 79 A 3.7152 7.5818 120.9114 54.7203 18.3523 179.5036 80 L 3.8203 7.9434 118.0428 58.1053 41.6536 179.9829 81 S 4.1765 7.7760 114.0249 61.0632 63.0152 176.4921 82 V 3.5247 7.6514 121.9320 65.9587 31.2863 177.9161 83 R 3.9340 8.1524 118.4236 59.4979 29.7734 178.2068 84 D 4.3618 8.0713 117.9666 57.4237 40.8036 178.4956 85 A 3.9847 8.1944 121.3267 55.3479 18.3507 179.7234 86 L 4.0018 8.2561 117.6836 57.5839 41.6693 179.5629 87 L 3.5383 7.9333 120.2198 57.8922 42.1129 178.5217 88 K 3.7042 8.1567 120.0073 59.6047 32.1248 178.3445 89 K 3.7514 8.2848 119.7269 59.4681 32.2024 178.6099 90 R 3.9690 8.4257 119.2637 59.7693 29.8905 178.3269 91 T 3.7968 8.2571 115.7904 66.7761 68.4929 175.6304 92 L 3.7712 7.7370 121.7349 58.9606 41.8773 178.7534 93 Y 4.2924 7.6340 115.6201 61.1075 37.8454 178.8237 94 S 4.1707 8.2497 116.0959 61.7648 63.0252 176.5514 95 D 4.5217 8.2712 122.9496 56.7218 40.3608 178.4926 96 L 3.9263 7.7660 119.2630 58.1049 42.2853 178.6249 97 A 4.1767 8.4129 121.1627 55.2538 18.1566 178.9236 98 D 4.7524 8.0718 117.0806 54.3914 39.5317 177.7151 99 Q 4.1393 7.7996 120.7925 58.4144 29.2297 176.8268 100 L 4.3066 8.0721 119.2823 56.0668 42.1536 177.2867 101 T 4.4693 7.5853 107.2819 60.9529 70.4322 174.3011 102 S 4.2984 7.8105 117.8085 58.8207 63.1324 173.9419 103 R 4.6646 8.4433 120.0205 54.2338 31.6923 174.9400 104 Q 4.4490 8.5534 119.3592 54.2023 32.0674 174.0499 105 D 4.9672 8.7009 122.5503 51.4668 41.7063 176.1425 106 R 4.6348 8.2163 117.6656 55.2176 32.0181 173.7732 107 Y 4.4884 8.2627 115.7002 59.6089 39.9608 176.3171 108 S 4.3126 7.9631 115.8934 57.6986 63.7723 175.3938 109 R 4.0540 8.5493 124.3272 58.3620 29.9098 176.8369 110 S 4.6158 7.9418 110.5954 58.5213 63.2989 173.1094 111 E 4.4434 7.5357 120.0435 55.2125 30.1086 174.7742 112 I 3.5371 8.2386 126.4303 60.7258 36.3063 174.6881 113 K 4.3001 8.3620 126.8281 56.0078 32.8050 176.1316 114 Y 4.6308 8.8446 123.5730 57.2357 39.4928 175.0127 115 V 4.5418 7.9263 113.4071 59.4753 35.8833 174.9295 116 A 4.1701 8.5030 124.4551 53.2869 18.6642 177.7060 117 T 4.3010 8.2898 116.0350 63.6152 69.1548 174.6133 *119 D 4.2740 7.8233 121.6174 53.5553 41.0517 175.1234 120 A 4.0502 8.5047 128.8580 55.2000 18.0592 178.6363 121 R 3.8243 8.2685 116.4715 59.8165 30.0153 178.4104 122 E 3.8939 8.4601 118.3640 59.4777 29.5309 179.2439 123 I 3.5835 7.7133 119.2769 64.5023 37.1557 178.2039 124 R 3.8943 8.2934 119.6950 59.2961 29.8429 178.3475 125 K 3.8794 7.7584 118.0740 59.7587 32.1427 179.0875 126 K 3.6833 7.8820 118.0706 59.4588 31.8089 179.2625 127 A 4.0477 7.9027 120.6890 55.4072 18.6329 179.0822 128 D 4.3788 8.7275 117.7946 57.7039 40.8798 179.3154 129 L 3.8963 8.4541 120.5497 58.2082 42.4078 178.8387 130 A 4.1380 8.1202 120.2798 54.7207 18.2153 179.4247 131 A 4.0735 7.9897 119.6310 54.9033 18.8131 179.4879 132 K 3.9003 7.9179 117.7145 59.7985 32.2214 178.8465 133 E 3.9904 8.2612 118.7260 59.5790 29.4290 178.2257 134 Y 4.1159 7.9141 119.0711 61.1326 38.7783 178.2386 135 R 3.7809 8.3079 119.1221 59.6390 30.1573 177.9698 136 Q 3.9138 8.2268 119.1646 58.9367 29.0053 177.6398 137 L 3.9578 7.9411 121.1136 58.4462 42.1089 178.5906 138 D 4.1066 8.1768 117.7794 57.3403 41.0158 178.2381 139 V 3.5573 7.7380 118.4566 66.3366 31.5466 177.5095 140 D 4.4059 8.5777 118.7707 57.5979 40.6531 179.1699 141 I 3.9200 8.2128 120.4521 64.6520 36.9514 178.4055 142 Q 4.1490 8.3635 117.9459 59.2287 28.7800 178.6957 143 R 4.0536 8.4434 120.0447 59.2281 30.1617 177.9476 144 L 3.9401 8.1992 119.8133 58.6558 42.0517 178.8970 145 N 4.2465 8.6845 116.4222 55.8569 38.2568 176.3691 146 W 4.6173 8.3320 117.9724 56.4638 29.9325 176.2482 147 Q 4.2299 7.8493 117.5529 55.5322 28.6732 175.7601 148 T 4.5726 7.2080 113.7304 62.9666 72.4776 173.2496 149 E 4.6650 8.8247 126.0306 55.1424 30.4416 176.1626 150 L 3.9937 8.5378 125.8871 55.1376 42.5466 176.6702 151 Q 4.1831 8.6755 124.0376 56.3306 28.6283 176.0697 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 0 A 8.26 4.16 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 *2 Y 7.95 4.97 0.00 2.96 2.70 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 3 L 9.10 3.85 0.00 1.67 1.76 0.88 1.14 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 4 A 7.72 3.52 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 7.51 3.73 0.00 2.12 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 2.38 2.23 0.00 6 A 7.79 3.94 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 7 L 7.84 3.84 0.00 1.84 1.67 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.72 3.95 1.34 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 0.00 0.00 9 Q 8.11 3.94 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 10 R 8.13 3.83 0.00 1.96 2.02 0.00 3.08 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 11 V 7.59 3.55 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 0.95 0.00 0.00 0.98 0.00 0.00 12 E 8.27 3.96 0.00 2.14 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 2.33 2.40 0.00 13 A 8.15 4.01 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 14 Q 8.32 3.73 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 15 R 7.65 3.94 0.00 2.03 2.13 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 16 R 8.31 3.92 0.00 2.11 2.01 0.00 3.22 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 17 Y 8.76 4.10 0.00 3.13 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 18 S 8.56 4.03 0.00 4.09 4.15 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 19 E 8.21 3.94 0.00 2.32 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 2.33 2.47 0.00 20 L 8.57 3.89 0.00 1.82 1.58 0.90 0.31 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 21 N 8.55 4.01 0.00 2.53 2.91 0.00 0.00 6.89 5.12 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 22 Q 7.95 3.95 0.00 2.43 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.48 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 23 L 8.04 3.86 0.00 1.76 1.80 0.90 0.39 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 24 L 7.80 3.83 0.00 1.66 1.80 0.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.64 4.11 0.00 1.81 1.69 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.73 4.36 0.00 2.82 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 27 V 7.79 3.90 2.24 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 0.74 0.00 0.00 0.91 0.00 0.00 28 A 7.72 4.17 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 29 K 7.71 4.65 0.00 1.69 1.72 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.40 7.81 30 V 7.47 4.08 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 0.69 0.00 0.00 0.93 0.00 0.00 31 Q 8.38 4.51 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.32 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 32 E 6.79 3.10 0.00 1.99 1.83 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 2.30 2.31 0.00 33 G 7.84 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 0.00 0.00 0.00 0.00 34 D 7.26 4.87 0.00 2.72 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 35 Q 8.00 4.53 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 36 P 0.00 4.35 0.00 2.12 1.97 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 37 A 8.68 4.05 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 38 E 7.69 4.61 0.00 1.85 1.78 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 2.16 2.31 0.00 39 N 8.48 4.66 0.00 2.80 2.93 0.00 0.00 6.84 7.71 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 40 P 0.00 3.99 0.00 2.00 1.93 0.00 3.67 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 41 H 8.15 3.96 0.00 3.27 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.18 3.93 0.00 2.32 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 2.33 2.36 0.00 43 I 8.09 3.64 1.97 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 1.38 0.91 0.85 0.00 0.00 44 L 8.63 3.91 0.00 1.80 1.65 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.66 4.57 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 46 E 8.42 3.95 0.00 2.27 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 2.34 2.33 0.00 47 L 7.66 3.93 0.00 1.91 1.76 0.60 0.81 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 48 E 8.27 4.03 0.00 2.08 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 2.35 2.54 0.00 49 E 8.25 4.04 0.00 2.30 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 2.34 2.45 0.00 50 L 7.79 4.02 0.00 2.06 1.87 1.06 0.55 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 51 T 8.28 4.23 4.48 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 0.00 0.00 0.00 1.29 0.00 0.00 52 T 7.62 3.88 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 53 R 7.67 4.04 0.00 1.97 2.13 0.00 3.13 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 54 I 8.54 3.66 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.67 0.84 0.00 0.00 55 N 8.39 4.35 0.00 2.74 2.85 0.00 0.00 6.74 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 56 D 7.92 4.24 0.00 2.97 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 57 L 7.95 3.91 0.00 1.85 1.70 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.91 3.60 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 1.00 0.00 0.00 0.92 0.00 0.00 59 R 7.76 3.90 0.00 1.98 1.96 0.00 3.32 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.98 0.00 60 R 8.23 3.86 0.00 1.96 1.95 0.00 3.29 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 61 I 8.25 3.65 2.06 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 1.48 0.78 0.88 0.00 0.00 62 N 8.43 4.22 0.00 2.87 2.90 0.00 0.00 7.15 8.25 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 63 R 7.89 4.06 0.00 2.10 1.98 0.00 3.13 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 64 T 8.16 3.87 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 1.29 0.00 0.00 65 N 8.30 4.40 0.00 2.92 2.85 0.00 0.00 7.03 8.21 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 66 S 7.55 4.68 0.00 4.05 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.37 4.36 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 0.87 0.00 0.00 0.98 0.00 0.00 68 T 7.92 4.27 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 1.24 0.00 0.00 69 E 8.66 4.51 0.00 1.94 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 2.40 2.32 0.00 70 F 8.89 4.37 0.00 3.00 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 71 S 7.83 4.28 0.00 3.89 3.68 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 72 E 7.92 3.71 0.00 1.88 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 2.34 2.35 0.00 73 G 8.35 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *75 T 7.21 4.30 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 1.28 0.00 0.00 76 L 8.55 4.02 0.00 1.94 1.81 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.91 3.96 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.25 4.25 0.00 2.87 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.58 3.72 0.39 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 80 L 7.94 3.82 0.00 1.79 1.69 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.78 4.18 0.00 4.00 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 82 V 7.65 3.52 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 1.06 0.00 0.00 0.96 0.00 0.00 83 R 8.15 3.93 0.00 1.82 2.09 0.00 2.93 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.52 0.00 84 D 8.07 4.36 0.00 2.93 2.70 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 85 A 8.19 3.98 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 86 L 8.26 4.00 0.00 2.13 1.92 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.93 3.54 0.00 1.53 1.71 0.23 0.38 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 88 K 8.16 3.70 0.00 1.97 1.85 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.43 7.81 89 K 8.28 3.75 0.00 1.95 2.04 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.21 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.45 7.81 90 R 8.43 3.97 0.00 1.85 1.93 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 91 T 8.26 3.80 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 1.16 0.00 0.00 92 L 7.74 3.77 0.00 1.54 1.52 0.77 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 7.63 4.29 0.00 3.10 2.92 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 94 S 8.25 4.17 0.00 4.12 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 95 D 8.27 4.52 0.00 2.80 2.70 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 96 L 7.77 3.93 0.00 1.75 1.97 0.95 0.98 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 97 A 8.41 4.18 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 98 D 8.07 4.75 0.00 2.98 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 99 Q 7.80 4.14 0.00 2.11 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 100 L 8.07 4.31 0.00 1.86 1.72 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.59 4.47 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 102 S 7.81 4.30 0.00 4.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.44 4.66 0.00 1.90 1.91 0.00 3.14 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 104 Q 8.55 4.45 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 105 D 8.70 4.97 0.00 2.78 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 0.00 106 R 8.22 4.63 0.00 2.30 2.07 0.00 3.20 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.93 0.00 107 Y 8.26 4.49 0.00 2.95 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 0.00 108 S 7.96 4.31 0.00 4.01 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 0.00 109 R 8.55 4.05 0.00 1.74 1.93 0.00 3.21 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 110 S 7.94 4.62 0.00 4.03 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 7.54 4.44 0.00 2.27 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 2.32 2.33 0.00 112 I 8.24 3.54 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.75 0.00 0.00 113 K 8.36 4.30 0.00 1.75 1.72 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.52 7.81 114 Y 8.84 4.63 0.00 2.90 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 0.00 115 V 7.93 4.54 2.11 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 0.70 0.00 0.00 0.95 0.00 0.00 116 A 8.50 4.17 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 0.00 117 T 8.29 4.30 4.28 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 1.24 0.00 0.00 *119 D 7.82 4.27 0.00 2.78 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 A 8.50 4.05 1.34 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 0.00 0.00 121 R 8.27 3.82 0.00 1.89 2.30 0.00 3.18 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 122 E 8.46 3.89 0.00 2.17 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 2.48 2.48 0.00 123 I 7.71 3.58 2.01 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 1.54 1.11 1.05 0.00 0.00 124 R 8.29 3.89 0.00 2.02 1.92 0.00 3.12 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 1.63 1.69 0.00 125 K 7.76 3.88 0.00 1.96 1.79 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.59 7.81 126 K 7.88 3.68 0.00 1.24 0.74 0.00 1.31 0.00 0.00 1.05 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.18 1.36 7.81 127 A 7.90 4.05 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 0.00 128 D 8.73 4.38 0.00 2.88 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 0.00 129 L 8.45 3.90 0.00 1.76 1.79 0.90 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 0.00 130 A 8.12 4.14 1.50 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 0.00 0.00 131 A 7.99 4.07 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 0.00 132 K 7.92 3.90 0.00 2.09 1.95 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.56 7.81 133 E 8.26 3.99 0.00 2.15 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 2.37 2.52 0.00 134 Y 7.91 4.12 0.00 3.18 3.22 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 0.00 135 R 8.31 3.78 0.00 2.21 1.95 0.00 3.13 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 136 Q 8.23 3.91 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.47 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 137 L 7.94 3.96 0.00 1.94 1.64 0.86 1.14 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 0.00 138 D 8.18 4.11 0.00 2.10 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 7.74 3.56 2.24 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 1.07 0.00 0.00 0.99 0.00 0.00 140 D 8.58 4.41 0.00 3.03 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 0.00 141 I 8.21 3.92 2.01 0.00 0.00 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 1.46 0.83 0.90 0.00 0.00 142 Q 8.36 4.15 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.97 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 143 R 8.44 4.05 0.00 2.04 2.06 0.00 3.10 0.00 0.00 3.07 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 144 L 8.20 3.94 0.00 2.06 1.75 0.79 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 145 N 8.68 4.25 0.00 2.93 2.61 0.00 0.00 7.00 7.51 0.00 0.00 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 W 8.33 4.62 0.00 3.35 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 0.00 147 Q 7.85 4.23 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 148 T 7.21 4.57 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 1.22 0.00 0.00 149 E 8.82 4.66 0.00 2.04 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 2.45 2.57 0.00 150 L 8.54 3.99 0.00 1.58 1.60 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.68 4.18 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.42 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.