NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3852 8.3344 115.2945 57.9864 64.6890 174.3027 -1 N 4.2825 6.9102 115.2595 53.1135 41.4952 173.9697 0 A 4.0276 8.6801 127.4371 55.0427 18.9132 179.3396 1 E 3.8873 7.9860 116.6313 59.5314 29.5050 178.9532 2 E 3.9591 8.2041 116.7493 59.4353 29.9696 178.8961 3 L 4.1476 7.8707 118.8323 57.9273 41.6102 179.6015 4 Q 3.9954 8.2939 117.7922 58.9455 28.5845 178.6827 5 A 3.9825 8.3376 121.8701 55.0673 18.0699 179.5614 6 L 3.9186 7.5881 116.8712 57.2123 41.5979 179.0883 7 V 4.2523 7.3482 109.2820 60.4256 32.1961 175.0516 8 D 4.4958 7.9491 116.2839 55.3787 39.9354 173.4258 9 N 4.8719 8.2465 114.1006 51.4307 40.0364 174.6063 10 I 4.5683 7.7647 113.1563 57.9921 40.2929 173.7315 11 P 4.3131 0.0000 0.0000 63.0077 31.6314 175.9233 12 A 4.5872 8.2696 123.6307 50.8574 21.9895 175.1194 13 A 4.6639 8.4301 123.4577 50.2574 21.2676 176.0726 14 I 4.3384 8.1144 124.2581 61.1565 38.7608 174.7098 15 Y 5.2782 7.8623 122.4306 55.8542 41.6212 173.3983 16 H 4.7899 9.3593 120.2244 54.4062 32.8811 172.1308 17 L 5.0598 8.5212 128.5548 53.2709 42.4243 175.5923 18 D 4.5348 8.5312 127.5526 53.1067 40.0235 177.4096 19 V 4.0323 8.2889 111.1052 62.5009 31.6217 176.8505 20 S 4.5730 8.1993 113.3641 57.7923 63.2044 174.6019 21 G 3.7883 8.1622 107.7900 46.0918 0.0000 172.9940 22 Q 4.4586 8.9629 122.0110 54.4441 30.4364 174.1649 23 A 5.3559 8.5820 128.9676 50.8517 20.3539 176.0105 24 T 4.7205 8.7503 112.4762 59.8067 72.6370 173.0332 25 I 4.5064 8.2110 123.2108 60.5776 38.4851 175.5886 26 R 4.3040 8.4792 126.7113 54.7312 30.9511 176.1173 27 F 4.8438 8.5105 123.9686 56.0651 39.7722 175.8900 28 R 4.7526 8.2436 123.4966 53.6767 34.0800 173.4050 29 P 4.4409 0.0000 0.0000 61.7247 32.1973 174.7779 30 P 4.3877 0.0000 0.0000 62.0745 32.2630 177.5410 31 A 3.8937 8.8724 124.7220 55.5315 18.2335 179.4890 32 F 4.4811 8.1515 108.1277 58.2548 38.4668 175.7169 33 L 4.4002 7.8506 121.0198 53.9645 42.8930 177.8784 34 K 3.7972 7.5798 120.3299 59.5486 32.0995 177.4309 35 T 4.3956 7.6662 105.2711 62.0108 69.4689 175.4372 36 L 4.3351 7.6947 121.8183 56.0192 42.6163 177.4056 37 V 4.1166 7.0204 110.2789 61.1113 33.1220 176.4282 38 S 4.7385 8.6601 119.4057 56.8486 65.0328 172.9737 39 E 4.9913 8.7046 123.9214 55.2835 30.9372 175.4520 40 H 4.6608 9.2447 123.1645 55.9226 33.6364 172.8894 41 A 3.5678 9.5295 129.1030 53.2518 15.7413 177.4413 42 G 3.9638 8.2070 108.0623 45.6592 0.0000 173.1141 43 T 4.4549 8.1618 117.1980 61.8441 70.9466 173.1183 44 T 4.9321 8.2973 122.7646 62.1048 69.5135 174.4370 45 R 4.3737 8.7088 126.2430 55.6495 32.3221 176.2474 46 L 4.2520 8.0662 122.7282 54.5360 44.4589 175.5845 47 N 4.7366 8.8763 126.1171 52.0043 37.2881 175.9768 48 T 4.0477 8.2202 113.4497 64.1450 69.3920 176.5524 49 L 4.1470 7.8963 121.1580 57.4238 41.9721 178.1253 50 S 4.2669 7.6289 111.3672 59.1026 62.1455 173.5361 50 I 3.9669 7.3189 115.5672 61.9026 37.1455 175.3360 53 H 3.9553 8.4797 126.8497 56.7421 30.2882 175.4834 54 H 4.1845 8.4591 122.3904 59.1379 28.6931 177.0779 55 D 4.4291 8.2913 117.1608 56.0692 41.0955 176.8455 56 D 4.6510 7.9037 117.5331 55.0941 41.7595 177.5117 57 R 3.8636 7.5659 120.0496 59.5754 30.2467 178.7652 58 H 3.9769 8.2343 111.6830 55.8563 27.6981 177.0451 *60 L 3.8433 7.6745 119.3489 55.3796 44.0174 179.5658 61 S 3.9507 8.0049 114.1634 61.7358 62.8653 176.8221 62 N 4.3305 8.4553 120.7440 55.7075 38.6570 176.4288 63 A 3.9578 7.8839 121.7853 55.6981 18.3572 178.7321 64 Y 4.4307 8.1333 115.0877 61.8441 37.8287 179.5816 65 S 4.1583 8.0627 115.2639 61.5248 62.5147 176.9813 66 K 4.1369 8.2761 121.3143 59.2303 31.5727 179.2149 67 L 4.6201 8.0098 119.6596 56.4739 41.7136 179.1991 68 R 2.7717 7.6054 118.1686 58.2982 30.0289 178.0101 69 E 4.3793 7.6703 115.1638 56.7001 30.3110 175.6978 70 A 3.9270 7.0752 120.0273 50.6155 22.5271 175.0037 71 K 4.9838 7.8468 121.3850 56.6510 32.7234 175.9940 72 H 5.0845 8.9215 123.6332 54.4477 33.4294 172.4297 73 S 5.2021 8.7120 117.6218 57.1065 65.0919 173.4395 74 L 4.5458 8.2445 122.9563 54.1308 44.8665 173.9208 75 T 4.9584 8.4674 120.9091 61.8630 71.1065 173.1726 76 L 4.8759 9.0181 126.7999 52.8057 45.1187 175.5996 77 V 4.8575 8.3021 121.9398 61.3592 33.8230 173.9972 78 Y 5.0159 8.3263 124.5573 56.4571 42.1473 173.4069 79 R 4.6791 8.6674 118.5835 54.8108 32.2003 176.0431 80 I 5.0408 8.7070 115.1440 59.1724 41.5115 174.2450 81 V 4.9889 8.1661 122.3523 61.3891 34.3423 175.4845 82 T 4.3739 8.8324 118.1891 60.2362 69.8311 173.8429 83 P 4.3080 0.0000 0.0000 64.8020 31.3779 177.4144 84 E 4.1964 8.1427 116.0383 56.5247 29.8102 176.9783 85 G 3.8708 8.3510 107.5965 45.0525 0.0000 172.8689 86 K 4.4039 8.0118 121.3776 54.8330 33.7256 175.2062 87 L 5.0338 8.3377 128.8024 54.1572 43.8804 175.0980 88 H 5.0114 9.0765 121.5456 53.8639 33.4637 172.3191 89 W 4.9720 8.8475 122.4222 55.7539 30.6114 175.4049 90 I 4.8281 9.0732 118.1174 58.8900 41.0305 173.7079 91 E 4.9064 9.3438 124.9304 54.4099 32.2373 174.1021 92 D 5.1926 9.0666 126.4045 53.0792 43.9843 174.4242 93 H 5.6334 8.7617 123.3555 53.8778 31.6559 174.6320 *95 R 4.7442 8.2304 117.8841 56.3541 31.7115 175.3336 96 S 5.3014 8.8847 118.6856 57.7983 65.2708 173.2413 97 S 5.3633 8.8466 115.2728 56.9283 66.7108 172.6939 98 F 5.2821 8.6812 118.3304 55.5179 42.8513 174.9519 99 S 4.3695 9.5242 118.3752 58.1779 63.3763 175.1859 100 D 4.3986 8.5845 120.3749 57.1372 40.5716 177.3341 101 D 4.5444 8.1208 116.6809 54.3983 41.2054 177.0727 102 G 4.0420 8.3819 108.0096 45.2580 0.0000 173.5013 103 L 4.4032 8.0135 120.5811 53.4310 42.4019 176.3835 104 F 3.6031 8.8992 126.0004 58.4055 39.6790 174.6172 105 S 4.1304 7.9883 121.1579 57.3655 63.6398 172.8390 106 G 3.6087 5.3800 106.3234 43.8204 0.0000 172.8044 107 I 5.1289 7.9841 120.0311 59.4025 39.6426 174.9918 108 D 5.0180 9.0523 126.6337 52.5871 43.0175 175.7256 109 G 4.4012 8.5597 108.8366 45.0776 0.0000 171.1581 110 I 4.8850 8.9039 119.0344 59.1338 41.6182 173.6052 111 L 5.4744 8.7484 128.3404 53.2748 43.9261 175.3306 112 C 5.0301 9.0307 116.9791 56.6816 33.6858 172.5202 113 E 4.2756 8.1718 120.2198 55.1961 30.7236 175.5896 114 V 4.1916 8.5434 126.2010 61.6505 32.3929 175.9627 115 T 4.1833 8.3225 117.4827 61.7307 68.9119 174.4228 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 S 8.33 4.39 0.00 3.87 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 -1 N 6.91 4.28 0.00 2.83 2.68 0.00 0.00 7.33 7.78 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 A 8.68 4.03 1.33 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 0.00 0.00 1 E 7.99 3.89 0.00 2.11 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 2.32 2.37 0.00 2 E 8.20 3.96 0.00 2.15 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 2.33 2.41 0.00 3 L 7.87 4.15 0.00 1.89 1.73 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.29 4.00 0.00 2.35 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 5 A 8.34 3.98 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 6 L 7.59 3.92 0.00 1.68 1.42 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.35 4.25 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 0.76 0.00 0.00 0.98 0.00 0.00 8 D 7.95 4.50 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.25 4.87 0.00 2.91 2.74 0.00 0.00 6.68 7.88 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 10 I 7.76 4.57 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 1.43 0.66 0.92 0.00 0.00 11 P 0.00 4.31 0.00 2.08 2.07 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 12 A 8.27 4.59 1.22 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 13 A 8.43 4.66 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.11 4.34 1.78 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 1.35 0.63 0.80 0.00 0.00 15 Y 7.86 5.28 0.00 2.98 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 16 H 9.36 4.79 0.00 3.21 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.52 5.06 0.00 1.81 1.65 0.93 1.28 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 18 D 8.53 4.53 0.00 3.01 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 19 V 8.29 4.03 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 0.76 0.00 0.00 0.95 0.00 0.00 20 S 8.20 4.57 0.00 3.94 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 21 G 8.16 3.79 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 0.00 0.00 0.00 22 Q 8.96 4.46 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 23 A 8.58 5.36 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 0.00 0.00 0.00 0.00 0.00 24 T 8.75 4.72 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 1.23 0.00 0.00 25 I 8.21 4.51 1.68 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 1.29 0.53 0.27 0.00 0.00 26 R 8.48 4.30 0.00 1.58 1.82 0.00 3.10 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 27 F 8.51 4.84 0.00 3.08 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 28 R 8.24 4.75 0.00 1.75 1.77 0.00 3.38 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 29 P 0.00 4.44 0.00 1.95 1.90 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 30 P 0.00 4.39 0.00 1.91 2.07 0.00 3.33 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.08 0.00 31 A 8.87 3.89 1.36 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 32 F 8.15 4.48 0.00 2.80 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 33 L 7.85 4.40 0.00 1.38 1.46 0.25 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.58 3.80 0.00 1.80 1.89 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.48 7.81 35 T 7.67 4.40 4.39 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 1.22 0.00 0.00 36 L 7.69 4.34 0.00 1.77 1.74 0.94 0.84 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 37 V 7.02 4.12 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 0.62 0.00 0.00 0.91 0.00 0.00 38 S 8.66 4.74 0.00 3.76 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 39 E 8.70 4.99 0.00 1.97 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 2.23 2.24 0.00 40 H 9.24 4.66 0.00 3.17 3.13 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 9.53 3.57 1.03 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 42 G 8.21 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 43 T 8.16 4.45 4.32 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 1.19 0.00 0.00 44 T 8.30 4.93 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 1.19 0.00 0.00 45 R 8.71 4.37 0.00 1.77 1.83 0.00 3.12 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 46 L 8.07 4.25 0.00 1.57 1.53 0.92 0.99 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 47 N 8.88 4.74 0.00 2.88 2.78 0.00 0.00 6.82 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 48 T 8.22 4.05 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 1.35 0.00 0.00 49 L 7.90 4.15 0.00 1.70 1.79 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.63 4.27 0.00 4.01 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 50 I 7.32 3.97 1.87 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 1.18 0.48 0.91 0.00 0.00 53 H 8.48 3.96 0.00 3.08 3.04 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.46 4.18 0.00 3.13 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.29 4.43 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 7.90 4.65 0.00 2.56 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 57 R 7.57 3.86 0.00 1.91 1.92 0.00 3.09 0.00 0.00 3.39 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 58 H 8.23 3.98 0.00 3.32 3.47 0.00 5.54 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *60 L 7.67 3.84 0.00 1.54 1.14 0.66 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.00 3.95 0.00 3.97 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 62 N 8.46 4.33 0.00 2.87 2.73 0.00 0.00 6.60 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 63 A 7.88 3.96 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 64 Y 8.13 4.43 0.00 3.06 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 65 S 8.06 4.16 0.00 3.90 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 66 K 8.28 4.14 0.00 2.12 1.80 0.00 1.54 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.51 7.81 67 L 8.01 4.62 0.00 1.80 1.84 1.03 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.61 2.77 0.00 1.77 1.74 0.00 3.18 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.51 0.00 69 E 7.67 4.38 0.00 2.09 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 2.49 2.35 0.00 70 A 7.08 3.93 1.12 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 0.00 0.00 71 K 7.85 4.98 0.00 1.60 1.62 0.00 1.66 0.00 0.00 2.36 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.62 7.81 72 H 8.92 5.08 0.00 3.23 3.15 0.00 5.84 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.71 5.20 0.00 3.79 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 74 L 8.24 4.55 0.00 1.72 1.51 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.47 4.96 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 76 L 9.02 4.88 0.00 1.69 1.74 0.99 0.53 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 77 V 8.30 4.86 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 0.99 0.00 0.00 0.89 0.00 0.00 78 Y 8.33 5.02 0.00 3.15 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.67 4.68 0.00 1.43 1.42 0.00 2.56 0.00 0.00 2.65 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 80 I 8.71 5.04 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.46 1.18 0.00 0.00 81 V 8.17 4.99 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 0.83 0.00 0.00 0.87 0.00 0.00 82 T 8.83 4.37 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 83 P 0.00 4.31 0.00 2.07 2.15 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 84 E 8.14 4.20 0.00 1.95 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 2.29 2.36 0.00 85 G 8.35 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 0.00 0.00 0.00 86 K 8.01 4.40 0.00 1.87 1.68 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.31 7.81 87 L 8.34 5.03 0.00 1.60 1.47 0.68 0.83 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 H 9.08 5.01 0.00 3.08 3.05 0.00 5.66 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 89 W 8.85 4.97 0.00 3.26 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 9.07 4.83 1.89 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.08 0.86 0.00 0.00 91 E 9.34 4.91 0.00 1.91 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 2.02 2.09 0.00 92 D 9.07 5.19 0.00 2.59 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 93 H 8.76 5.63 0.00 3.17 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *95 R 8.23 4.74 0.00 1.86 1.98 0.00 3.17 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 96 S 8.88 5.30 0.00 4.34 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 97 S 8.85 5.36 0.00 3.90 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 98 F 8.68 5.28 0.00 2.90 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 99 S 9.52 4.37 0.00 3.97 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 0.00 100 D 8.58 4.40 0.00 2.69 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 0.00 101 D 8.12 4.54 0.00 2.70 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 0.00 102 G 8.38 4.04 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 0.00 0.00 0.00 103 L 8.01 4.40 0.00 1.79 1.62 0.94 0.83 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 0.00 104 F 8.90 3.60 0.00 2.75 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 0.00 105 S 7.99 4.13 0.00 3.72 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 0.00 106 G 5.38 3.61 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 0.00 0.00 0.00 107 I 7.98 5.13 1.89 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 1.57 1.10 1.04 0.00 0.00 108 D 9.05 5.02 0.00 2.54 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 0.00 109 G 8.56 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 0.00 110 I 8.90 4.88 1.91 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 1.30 1.52 1.00 0.00 0.00 111 L 8.75 5.47 0.00 1.67 1.83 1.12 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 112 C 9.03 5.03 0.00 2.94 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 0.00 113 E 8.17 4.28 0.00 1.16 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 2.09 2.33 0.00 114 V 8.54 4.19 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 0.75 0.00 0.00 0.89 0.00 0.00 115 T 8.32 4.18 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.