NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4866 8.1693 120.6410 55.0794 43.1366 175.4386 8 H 4.8762 8.1737 114.5598 53.4003 31.5036 171.6206 9 K 4.4691 9.5362 122.4537 56.5334 33.1205 177.3723 10 E 4.9285 9.0072 123.4758 53.8851 33.4694 173.9551 11 P 5.0746 0.0000 0.0000 62.9267 32.5124 175.0122 12 A 4.8518 8.5143 122.2770 51.5110 23.0992 175.6425 13 T 4.6488 8.4645 115.0064 61.3038 72.0370 173.9764 14 L 4.2030 8.7115 128.1187 55.9117 42.3680 175.1055 15 I 4.4002 8.2905 124.9513 61.5005 39.0762 175.4368 16 K 4.4377 8.1682 119.8162 55.4164 36.2402 173.7722 17 A 4.3901 8.7565 130.1990 52.3490 19.0539 176.9604 18 I 4.1887 8.3863 124.6224 62.6640 38.5751 175.4246 19 D 4.5514 8.0499 118.5499 52.8207 41.5195 175.5310 20 G 3.8842 9.2224 106.2090 48.1954 0.0000 173.7264 21 D 5.0329 8.3095 116.7493 52.8202 41.4969 175.3927 22 T 5.1918 8.0254 114.3502 62.5079 72.4943 173.4238 23 V 4.8333 8.8174 118.4003 59.6394 36.6911 174.3721 24 K 5.0552 9.3996 123.5215 55.2527 34.0773 175.7575 25 L 5.2921 9.2997 123.5948 53.1628 46.8596 175.1139 26 M 4.8632 9.2394 121.4952 54.8041 33.6565 174.2058 27 Y 4.7835 9.3175 128.5031 55.8191 41.7893 175.6275 28 K 3.7067 9.1742 127.2945 57.5769 29.6579 175.9013 29 G 3.9829 8.4293 102.3732 46.0913 0.0000 173.6832 30 Q 4.8022 8.2797 117.5741 53.1471 31.9812 172.6644 31 P 5.0582 0.0000 0.0000 63.2883 32.3708 175.3188 32 M 4.9369 9.4396 122.0073 54.2008 37.2552 173.8623 33 T 4.8942 8.3532 117.4902 62.6973 70.7111 173.8457 34 F 5.1310 9.6032 124.4331 55.5956 42.4828 174.3304 35 R 5.0710 8.9590 122.0722 54.1414 33.0300 174.6237 36 L 4.3564 8.5992 126.9170 54.7879 42.3354 177.2964 37 L 3.9462 8.5752 124.5168 55.6651 42.8850 178.1051 38 L 4.0751 8.7985 119.4113 55.1015 39.4055 173.8474 39 V 4.9815 7.3243 109.7214 59.9010 36.4962 174.6250 40 D 4.8908 8.8554 121.0191 53.6394 44.0916 174.3996 41 T 4.7194 8.8471 116.9043 59.5394 71.1264 172.8141 42 P 4.3918 0.0000 0.0000 62.5968 32.1823 175.6079 43 D 4.5809 9.3540 122.9632 54.3674 41.4432 176.7647 44 T 4.3310 8.5173 114.6404 61.4724 71.0371 174.3228 45 K 4.7347 7.8557 120.1451 55.7155 32.5581 175.4889 46 H 4.3910 7.7044 119.9568 55.0075 31.1584 170.9409 47 P 4.0681 0.0000 0.0000 64.8400 30.3813 173.8712 48 K 4.3694 8.8428 125.6754 56.4993 31.8418 177.2627 49 K 3.7771 7.9853 118.3150 59.7119 31.8445 177.7198 50 G 3.9497 7.6828 103.7225 43.7264 0.0000 172.7010 51 V 4.7969 7.0228 120.3006 60.8899 33.8804 170.2713 52 E 4.4961 8.4139 125.8113 54.1906 31.0346 175.8471 53 K 3.9661 8.1579 120.2815 58.7433 32.8958 177.0181 54 Y 4.0834 7.8366 118.5650 59.2051 35.6873 170.8248 55 G 3.8778 7.7957 107.0269 47.7299 0.0000 173.8048 56 P 4.2990 0.0000 0.0000 64.7697 30.9860 178.6445 57 E 3.9846 8.2454 116.5648 59.4489 29.5370 179.0051 58 A 4.0512 8.8101 121.2918 55.4087 18.4209 179.8100 59 S 4.1775 8.1527 113.3583 61.8697 62.8728 176.8977 60 A 4.0737 8.1406 123.2331 54.5670 18.1116 179.4828 61 F 3.9194 8.2866 119.5841 61.8245 39.5645 177.3278 62 T 3.9281 8.1970 115.2731 66.7119 68.2471 176.4476 63 K 3.9560 8.2798 121.6805 59.1831 32.0470 178.9620 64 K 3.8784 8.3619 119.5514 60.2036 32.3543 178.8559 65 M 3.8477 7.9747 118.8779 58.2612 32.5444 178.2724 66 V 3.8054 7.8593 112.3982 64.1749 31.5809 178.4333 67 E 4.0743 8.4218 117.7768 58.7682 29.4706 177.3571 68 N 4.6099 7.7298 113.5535 53.0939 39.0682 175.2318 69 A 4.5196 7.2150 121.2842 51.9613 19.3404 178.1638 70 K 4.1543 9.6253 122.0023 58.7606 32.6937 177.8922 71 K 4.7251 8.8555 118.2016 54.4744 35.4983 175.2381 72 I 5.0683 8.3462 124.2357 59.6451 40.4487 174.3633 73 E 5.2673 9.0217 124.3323 54.7384 34.0517 174.9176 74 V 4.6940 8.7473 116.1337 59.4496 35.1859 174.5359 75 E 5.0010 8.9905 124.8013 54.3481 32.1879 175.1521 76 F 4.5559 8.8784 125.7348 57.7632 39.9341 175.6717 77 D 5.0894 8.4558 121.1893 53.7791 42.7292 175.9847 78 K 4.3850 9.0148 115.8314 57.9240 33.5541 178.1997 79 G 4.1617 8.7679 109.2331 44.5178 0.0000 175.3108 80 Q 3.9293 8.8289 124.0559 56.8679 28.9297 176.8348 81 R 4.5404 8.5465 120.2120 56.3863 31.0259 175.8770 82 T 5.5622 7.5680 106.5124 58.8423 71.9290 173.0769 83 D 4.7125 8.2289 122.7622 51.6042 41.2590 177.1130 84 K 3.8917 8.2692 117.3569 58.8695 32.3547 176.9954 85 Y 4.3570 7.9748 116.2043 57.7478 38.2813 176.3664 86 G 3.9297 8.3356 108.8125 45.2625 0.0000 174.1172 87 R 4.2319 8.3975 119.7022 55.5574 31.5977 176.4206 88 G 3.6582 8.7201 110.2944 46.0138 0.0000 172.6033 89 L 5.3727 8.8192 123.6192 53.0789 43.1837 175.5980 90 A 4.4778 8.3844 124.7841 50.9001 23.7144 173.7153 91 Y 4.8126 8.7519 117.0372 57.0856 39.7356 175.3924 92 I 4.7974 8.3420 124.4821 59.6749 40.2587 174.1664 93 Y 5.0232 9.1650 123.6073 56.0227 41.3541 174.4346 94 A 4.7244 8.9636 125.9342 50.1238 21.3772 176.2204 95 D 4.4207 9.8147 125.2097 56.0570 38.8870 175.4930 96 G 3.8954 8.2633 103.9581 45.6293 0.0000 173.2886 97 K 4.3557 7.9358 122.3727 54.9719 33.3081 175.2032 98 M 3.9420 8.5634 126.0973 55.0278 33.0433 176.6813 99 V 3.6180 8.7257 127.3708 66.1812 31.6409 177.4143 100 N 4.2649 8.1511 115.7371 56.6482 38.3032 176.7609 101 E 3.9010 8.0763 119.6148 58.8849 29.9854 178.1610 102 A 4.0658 7.9143 120.7687 55.3374 18.4280 179.5874 103 L 3.4997 7.8600 117.2015 57.8171 41.7141 179.9942 104 V 3.7292 7.4323 118.1707 66.1020 31.2792 177.9827 105 R 3.8978 8.4129 117.9282 59.3382 29.9760 177.6266 106 Q 4.2390 7.6782 114.6830 55.4294 29.2072 176.2718 107 G 3.9183 8.0938 108.7977 46.6444 0.0000 174.7148 108 L 4.5077 8.0200 117.1864 54.0340 42.3554 176.1436 109 A 4.9045 7.6062 119.5246 50.3733 22.5007 175.6199 110 K 4.8973 8.3314 117.7618 54.6111 36.1712 175.7320 111 V 4.2194 8.7071 122.1177 63.3520 31.8474 175.0156 112 A 4.3734 8.7432 128.3750 50.1268 23.2757 174.6229 113 Y 3.1053 7.3619 113.9657 58.9250 35.0189 172.9901 114 V 3.7008 7.0222 117.6096 62.1669 31.8883 174.8791 115 Y 4.8587 8.0833 126.5202 55.6975 38.5014 175.6036 116 K 4.2820 8.6939 124.4189 56.5012 32.6380 175.2855 117 P 4.6984 0.0000 0.0000 63.1666 32.0055 176.8688 118 N 4.9334 8.0527 118.5751 52.5665 37.1710 174.8488 119 N 5.2198 7.6133 111.6447 52.6932 38.9505 177.4320 120 T 3.8514 8.9904 118.4968 67.9318 68.7710 174.9947 121 H 4.8793 8.0849 115.9090 55.6750 29.0968 176.4296 122 E 4.0039 8.3841 123.9699 59.6330 29.1569 179.1122 123 Q 3.9544 8.0010 117.4569 59.1134 28.7573 177.7658 124 H 4.1505 8.2162 118.6729 59.4892 29.8855 177.1167 125 L 3.9237 8.0448 120.6295 57.7901 41.4107 179.7527 126 R 3.9100 8.1531 118.1942 59.1969 29.9875 179.2646 127 K 3.9727 8.2402 118.3860 59.5371 32.1162 179.6342 128 S 4.1238 7.6943 115.5279 61.3020 62.7227 176.2563 129 E 3.9157 8.5555 122.3939 59.0073 29.3484 178.6704 130 A 3.7356 7.8536 120.9144 55.1112 18.4298 179.4008 131 Q 3.8084 7.9459 117.7579 59.2919 29.2204 178.3317 132 A 4.0287 7.8014 121.4668 54.8924 18.3736 179.8762 133 K 3.2967 7.9687 117.3781 59.3790 31.8956 179.4802 134 K 3.9400 8.0304 118.6920 59.1938 32.1074 177.5759 135 E 4.2997 8.4733 116.2106 55.0863 30.2356 176.0857 136 K 4.3423 8.3912 117.9484 56.4461 30.5341 174.8998 137 L 4.7098 7.8524 117.1889 55.0341 44.0341 177.5212 138 N 3.6157 8.4728 119.4699 53.4210 38.6047 177.3941 139 I 3.2186 6.4760 120.8334 64.3078 36.9783 176.3240 140 W 4.8042 8.2860 119.4051 56.5853 29.1551 178.3100 141 S 4.6599 9.2121 119.7179 61.7107 62.4380 174.9615 *142 E 4.1515 8.0108 118.8988 56.0728 30.1640 177.0558 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 7 L 8.17 4.49 0.00 1.73 1.80 1.05 0.84 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 8 H 8.17 4.88 0.00 3.25 3.28 0.00 5.52 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.54 4.47 0.00 1.60 1.72 0.00 1.42 0.00 0.00 1.33 0.00 0.00 2.27 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.22 7.81 10 E 9.01 4.93 0.00 2.14 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 2.41 2.41 0.00 11 P 0.00 5.07 0.00 1.96 1.99 0.00 3.74 0.00 0.00 3.71 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 8.51 4.85 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 13 T 8.46 4.65 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 1.23 0.00 0.00 14 L 8.71 4.20 0.00 1.64 1.58 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.29 4.40 2.13 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 1.27 0.83 0.94 0.00 0.00 16 K 8.17 4.44 0.00 1.80 1.60 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.34 7.81 17 A 8.76 4.39 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 18 I 8.39 4.19 2.06 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 1.48 0.65 0.91 0.00 0.00 19 D 8.05 4.55 0.00 2.83 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 20 G 9.22 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 0.00 0.00 0.00 21 D 8.31 5.03 0.00 2.73 2.84 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 22 T 8.03 5.19 4.42 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 1.25 0.00 0.00 23 V 8.82 4.83 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 0.80 0.00 0.00 0.97 0.00 0.00 24 K 9.40 5.06 0.00 1.90 1.78 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.43 7.81 25 L 9.30 5.29 0.00 1.72 1.65 0.27 0.52 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 26 M 9.24 4.86 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 27 Y 9.32 4.78 0.00 3.32 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 28 K 9.17 3.71 0.00 1.51 1.68 0.00 1.79 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.97 0.41 7.81 29 G 8.43 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 30 Q 8.28 4.80 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 31 P 0.00 5.06 0.00 2.15 2.15 0.00 3.77 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 2.02 2.03 0.00 32 M 9.44 4.94 0.00 1.70 1.92 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.60 0.00 33 T 8.35 4.89 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 1.20 0.00 0.00 34 F 9.60 5.13 0.00 3.03 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 35 R 8.96 5.07 0.00 1.83 1.72 0.00 3.32 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 36 L 8.60 4.36 0.00 1.70 1.61 0.98 0.89 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 37 L 8.58 3.95 0.00 1.00 1.18 0.24 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.80 4.08 0.00 1.99 1.85 1.14 1.15 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 39 V 7.32 4.98 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 0.78 0.00 0.00 0.96 0.00 0.00 40 D 8.86 4.89 0.00 2.85 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.85 4.72 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 1.18 0.00 0.00 42 P 0.00 4.39 0.00 2.33 2.07 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.05 0.00 43 D 9.35 4.58 0.00 2.76 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 44 T 8.52 4.33 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 1.27 0.00 0.00 45 K 7.86 4.73 0.00 1.83 1.84 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.35 7.81 46 H 7.70 4.39 0.00 3.19 3.14 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.07 0.00 2.22 2.14 0.00 3.83 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 48 K 8.84 4.37 0.00 1.86 2.16 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.45 7.81 49 K 7.99 3.78 0.00 1.73 1.90 0.00 1.57 0.00 0.00 1.40 0.00 0.00 2.68 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.39 7.81 50 G 7.68 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.02 4.80 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 0.70 0.00 0.00 0.90 0.00 0.00 52 E 8.41 4.50 0.00 2.00 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 2.24 2.47 0.00 53 K 8.16 3.97 0.00 1.37 1.62 0.00 1.56 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.35 7.81 54 Y 7.84 4.08 0.00 3.21 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 55 G 7.80 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 0.00 0.00 0.00 56 P 0.00 4.30 0.00 2.17 2.12 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 57 E 8.25 3.98 0.00 2.34 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 2.55 2.52 0.00 58 A 8.81 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.15 4.18 0.00 3.93 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.14 4.07 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.29 3.92 0.00 3.33 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.20 3.93 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 63 K 8.28 3.96 0.00 1.83 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.49 0.00 0.00 0.00 0.00 1.43 1.62 7.81 64 K 8.36 3.88 0.00 1.88 2.21 0.00 0.82 0.00 0.00 0.93 0.00 0.00 2.66 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.25 1.44 7.81 65 M 7.97 3.85 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 66 V 7.86 3.81 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 0.79 0.00 0.00 0.99 0.00 0.00 67 E 8.42 4.07 0.00 1.99 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 2.40 0.00 68 N 7.73 4.61 0.00 2.75 2.81 0.00 0.00 6.97 8.70 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 69 A 7.22 4.52 1.37 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 0.00 0.00 0.00 70 K 9.63 4.15 0.00 1.88 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.40 7.81 71 K 8.86 4.73 0.00 1.63 1.67 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.37 7.81 72 I 8.35 5.07 2.02 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 1.34 1.00 0.86 0.00 0.00 73 E 9.02 5.27 0.00 1.95 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 2.21 2.27 0.00 74 V 8.75 4.69 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 0.06 0.00 0.00 0.63 0.00 0.00 75 E 8.99 5.00 0.00 2.18 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 0.00 2.48 2.38 0.00 76 F 8.88 4.56 0.00 3.05 2.98 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 77 D 8.46 5.09 0.00 2.71 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 9.01 4.39 0.00 1.79 1.90 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.45 7.81 79 G 8.77 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.83 3.93 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 81 R 8.55 4.54 0.00 1.58 1.40 0.00 2.55 0.00 0.00 2.45 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 82 T 7.57 5.56 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 1.13 0.00 0.00 83 D 8.23 4.71 0.00 2.92 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 84 K 8.27 3.89 0.00 1.55 1.73 0.00 1.06 0.00 0.00 1.43 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.87 0.21 7.81 85 Y 7.97 4.36 0.00 3.13 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.34 3.93 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 0.00 0.00 0.00 87 R 8.40 4.23 0.00 2.08 1.79 0.00 3.09 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 88 G 8.72 3.66 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 0.00 89 L 8.82 5.37 0.00 1.58 1.63 0.95 0.60 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 90 A 8.38 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.75 4.81 0.00 2.97 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.34 4.80 1.76 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.54 0.86 0.00 0.00 93 Y 9.17 5.02 0.00 2.84 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 94 A 8.96 4.72 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 95 D 9.81 4.42 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.26 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 0.00 0.00 0.00 97 K 7.94 4.36 0.00 1.98 1.72 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.40 7.81 98 M 8.56 3.94 0.00 2.00 1.67 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.52 0.00 99 V 8.73 3.62 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 1.03 0.00 0.00 0.94 0.00 0.00 100 N 8.15 4.26 0.00 2.90 2.93 0.00 0.00 6.77 7.66 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 0.00 101 E 8.08 3.90 0.00 1.96 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 0.00 2.23 2.14 0.00 102 A 7.91 4.07 1.60 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 0.00 0.00 103 L 7.86 3.50 0.00 1.85 1.63 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.43 3.73 2.20 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 1.07 0.00 0.00 0.98 0.00 0.00 105 R 8.41 3.90 0.00 2.01 2.06 0.00 3.33 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 106 Q 7.68 4.24 0.00 1.79 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.26 0.00 0.00 0.00 0.00 0.00 2.33 1.85 0.00 107 G 8.09 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 0.00 0.00 0.00 108 L 8.02 4.51 0.00 1.22 1.53 0.53 0.41 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 0.00 109 A 7.61 4.90 1.14 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 0.00 0.00 110 K 8.33 4.90 0.00 1.84 2.22 0.00 1.09 0.00 0.00 1.23 0.00 0.00 2.68 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.22 1.43 7.81 111 V 8.71 4.22 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 0.78 0.00 0.00 0.95 0.00 0.00 112 A 8.74 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.36 3.11 0.00 2.94 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.02 3.70 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 0.81 0.00 0.00 0.89 0.00 0.00 115 Y 8.08 4.86 0.00 3.11 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 0.00 116 K 8.69 4.28 0.00 1.80 1.82 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.66 1.52 7.81 117 P 0.00 4.70 0.00 2.22 2.17 0.00 3.96 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 118 N 8.05 4.93 0.00 3.01 2.88 0.00 0.00 6.63 7.41 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 0.00 119 N 7.61 5.22 0.00 2.86 3.00 0.00 0.00 6.08 7.22 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 0.00 120 T 8.99 3.85 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 1.08 0.00 0.00 121 H 8.08 4.88 0.00 3.04 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.38 4.00 0.00 2.10 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 2.33 2.39 0.00 123 Q 8.00 3.95 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 124 H 8.22 4.15 0.00 3.22 3.48 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.04 3.92 0.00 1.99 1.71 0.89 0.97 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 0.00 126 R 8.15 3.91 0.00 1.83 1.94 0.00 3.32 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.95 0.00 127 K 8.24 3.97 0.00 1.93 1.83 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.65 7.81 128 S 7.69 4.12 0.00 3.89 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 0.00 129 E 8.56 3.92 0.00 2.10 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 2.06 2.50 0.00 130 A 7.85 3.74 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.95 3.81 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 132 A 7.80 4.03 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.97 3.30 0.00 1.45 1.37 0.00 0.93 0.00 0.00 1.06 0.00 0.00 2.19 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.30 0.28 7.81 134 K 8.03 3.94 0.00 1.60 1.92 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.48 7.81 135 E 8.47 4.30 0.00 1.92 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 2.29 2.47 0.00 136 K 8.39 4.34 0.00 1.94 1.92 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.36 7.81 137 L 7.85 4.71 0.00 1.78 1.54 0.93 0.80 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 0.00 138 N 8.47 3.62 0.00 2.54 1.42 0.00 0.00 6.82 7.32 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 0.00 139 I 6.48 3.22 1.37 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.40 0.00 0.00 140 W 8.29 4.80 0.00 3.46 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 0.00 141 S 9.21 4.66 0.00 4.26 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 *142 E 8.01 4.15 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 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.