NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.5254 0.0000 0.0000 62.3657 33.1807 175.2469 4 V 3.8158 8.8809 125.4147 61.8016 32.5318 173.1302 5 I 4.9628 8.2003 129.6700 60.4111 38.7829 174.8650 6 R 4.9336 8.9298 122.3530 54.5275 33.4607 174.2691 7 R 4.5428 8.7330 116.6655 55.8934 30.1890 176.3284 8 A 4.3451 8.8003 125.0647 52.2049 19.5400 176.2585 9 K 4.6387 8.9923 117.3683 54.3759 36.1603 177.6767 10 E 3.9162 8.7398 120.5584 59.1041 29.5357 178.4933 11 I 3.9445 7.7175 110.2581 62.4680 38.2056 176.4687 12 D 4.7723 8.1165 120.7403 54.3059 41.3671 177.7570 13 L 3.9732 7.5547 120.2981 58.0931 41.3609 178.7814 14 Y 3.7906 7.9390 118.5898 60.8397 38.9029 177.6951 15 C 4.0764 8.1220 117.0524 62.9059 28.1177 175.7824 16 L 3.5991 8.0118 119.4292 57.8290 41.2036 178.8754 17 N 4.2583 7.6483 115.2682 56.4442 38.6915 177.0797 18 S 4.2154 7.3519 113.7731 61.0930 62.5444 176.7143 19 L 4.1889 7.7037 121.6914 54.9585 41.6691 178.6702 *21 Y 4.4595 7.8870 121.1018 57.6177 40.8470 176.8884 22 K 3.6627 8.1779 119.4375 59.2196 32.1066 178.7724 23 L 3.7785 7.3181 120.5404 58.6866 42.0901 178.8151 24 H 4.1729 7.7559 115.3716 58.6546 28.3901 177.2382 25 D 4.0757 7.7622 119.5056 57.4878 41.4723 178.0015 26 E 4.1239 8.1457 118.8483 59.4857 29.2246 179.2090 27 H 4.2441 8.0518 116.2550 59.1714 28.3958 176.8551 28 H 4.4111 8.2194 117.7215 57.7774 29.4789 176.1343 29 Q 4.3682 7.7550 117.7471 57.4686 29.3382 177.1242 30 Q 4.3994 7.9498 118.0732 56.9386 30.7181 176.0913 31 C 4.7289 7.3104 121.4163 56.1789 31.3428 171.3115 32 P 4.1209 0.0000 0.0000 64.4739 30.7676 181.0886 33 D 3.6328 7.2295 112.1551 54.8244 42.7722 176.5220 *44 E 4.1572 7.4597 125.8380 55.0682 30.9811 174.4373 45 K 4.3374 8.6069 117.0049 55.6821 33.2063 176.7673 46 S 4.0309 8.5981 117.2934 58.3008 64.4054 175.1934 47 I 3.6743 8.3584 126.6142 63.7160 37.8151 178.2757 48 A 3.9429 8.1168 121.9740 55.3038 18.4753 179.6875 49 R 3.8850 8.0087 115.9827 59.4882 29.9057 178.4879 50 Y 3.8163 8.1584 118.7372 60.7128 38.9183 177.7116 51 L 4.1447 7.9631 119.9141 58.1653 42.2658 178.0199 52 D 4.4938 7.9949 116.5804 55.0862 41.6513 175.8658 53 D 4.3652 7.4186 120.5228 53.3965 41.4930 175.1567 54 P 4.3349 0.0000 0.0000 65.0926 31.5727 176.6436 55 E 4.6024 8.3878 117.6202 56.4354 30.1154 175.3553 56 C 4.2145 7.3533 118.0918 57.8114 30.7247 172.6729 *58 V 4.0414 8.0386 119.7461 62.8112 32.2941 174.1113 59 Y 5.2753 8.5516 123.1363 56.1806 41.0745 175.4503 60 V 5.1041 9.1338 114.7732 59.6247 36.3217 174.4596 61 A 5.0211 9.1115 125.3381 50.5849 20.8426 175.9185 62 E 4.9474 8.9324 123.6046 54.3569 32.5943 176.0148 *64 D 4.6155 8.6981 120.8518 53.7670 42.7747 177.2392 65 D 4.6779 7.7764 113.5291 54.9134 44.3554 175.3612 66 V 4.3693 7.5558 119.6915 59.5477 33.6341 174.9328 67 I 4.1494 8.3290 124.3125 61.2200 37.1830 175.5487 68 I 4.1701 8.2793 119.0356 59.6901 38.0102 175.0836 69 G 4.4746 7.4851 107.5797 46.7360 0.0000 172.1852 70 F 5.4841 7.8207 114.1955 56.1117 41.8696 172.7339 71 I 4.8812 9.0586 119.0294 59.6848 42.0384 173.5315 72 T 4.9678 9.1698 121.7413 60.4858 70.5445 172.8124 73 G 4.6976 8.7161 113.9578 45.4416 0.0000 171.4421 74 H 5.0997 9.2805 115.9285 53.4486 32.2125 172.9133 75 F 4.9533 8.7844 120.1540 57.9471 39.5741 174.4142 76 C 4.9777 8.6021 115.2220 57.1544 33.0078 172.7747 77 E 4.8797 8.5585 118.1168 54.4798 32.6925 175.4515 78 L 4.2977 8.6916 126.8353 54.6373 42.7877 175.4058 79 I 4.5840 8.2990 127.7654 59.6292 38.7616 175.3348 80 S 4.7788 8.3278 118.1974 57.1396 66.0616 173.5006 81 T 4.4883 8.4089 107.7210 61.7973 68.8147 175.1457 82 V 4.5198 7.5177 111.9641 61.1561 34.0500 174.9734 83 S 4.6948 7.8549 114.4821 56.6436 66.9664 174.3343 84 K 4.1916 8.3912 122.2249 56.0848 32.4999 177.0741 85 L 4.3494 8.3528 121.4306 54.4150 42.5549 176.3944 86 V 4.2792 8.3327 119.5501 63.0781 33.7119 177.7181 *89 A 4.8073 8.5698 122.1411 52.0734 20.3905 174.5608 90 T 5.1408 8.5736 114.3075 62.3044 73.2174 173.6531 91 I 4.2661 8.7659 127.4007 60.5763 38.1437 175.3619 92 D 4.7333 9.4936 129.5100 55.3279 40.6179 176.3826 93 E 4.8019 7.7281 116.0462 54.7972 34.3020 174.3202 94 L 4.4083 7.7973 122.1724 54.2257 45.3371 173.8100 95 Y 4.6108 7.8268 126.7092 55.8139 42.5844 173.7762 96 I 4.7690 6.8113 124.7892 58.9188 41.2125 175.1942 97 E 4.0332 8.5203 125.6015 56.4636 29.8633 178.6143 98 K 4.0722 8.7411 122.2919 59.0555 32.2622 177.5459 99 E 4.1318 8.1831 117.6255 57.3863 29.8844 176.0453 100 Y 4.4743 8.2758 114.3811 57.8751 38.7146 175.7645 101 R 4.1694 7.7971 119.4795 56.2018 30.9491 175.5948 102 R 3.8856 8.4907 114.3459 57.7481 27.2907 176.7616 103 E 4.4988 7.9747 113.6276 55.3067 31.3766 175.6726 104 G 3.9351 8.3381 104.7342 46.7054 0.0000 175.9472 105 V 3.6212 7.7284 119.6308 65.3076 31.7497 177.7142 106 A 4.0057 7.8216 120.4009 55.0746 18.1532 178.8681 107 E 3.8809 8.1061 116.1715 59.5131 29.8199 178.6449 108 Q 4.1710 7.7739 115.4067 57.7270 30.2307 177.5517 109 L 4.1762 7.5096 123.6655 53.1455 38.8995 176.4865 *112 R 3.9310 7.6364 122.7513 56.0303 32.4072 177.1566 113 I 3.7575 7.4361 117.2145 64.3962 37.7741 177.6469 114 E 4.0656 8.0876 118.7652 58.8861 29.3064 178.7884 115 Q 3.9527 7.9774 119.9265 59.4387 28.9701 178.2997 116 E 4.4984 8.0275 118.9449 58.7868 29.8365 179.0106 117 L 4.4669 8.1156 119.0492 57.9005 41.8541 179.4605 118 K 3.9984 8.6549 118.8691 59.6147 31.9777 178.4732 119 D 4.7007 8.2928 116.8179 54.5755 39.2471 176.5916 120 Y 4.2776 7.9733 117.5043 56.6043 38.7345 175.3664 121 G 3.9996 8.0008 107.3512 46.5248 0.0000 175.0037 122 V 3.9188 7.8556 111.5900 60.9027 32.6521 177.0282 123 K 4.2082 8.7949 124.3264 58.3969 32.5627 177.1245 124 E 4.7651 7.8556 115.4246 54.2850 33.0421 175.0980 125 I 4.5876 7.9171 121.9199 59.5648 41.0045 174.2453 126 F 5.0478 8.6781 126.0474 55.7716 41.0232 174.8729 127 V 4.5272 8.8155 125.2940 62.0127 32.0674 175.4422 128 E 4.7128 9.4712 126.5839 56.0012 30.3793 176.7033 129 V 3.6596 7.7237 119.4365 63.8228 31.6193 173.2099 130 W 3.7189 7.8667 124.9180 57.6024 27.3377 175.1019 *133 N 4.7097 7.7457 115.9383 52.0553 38.9870 174.4339 134 K 4.3282 7.9312 121.1166 55.8338 33.4017 175.8063 135 G 4.3603 8.0991 113.5857 44.7721 0.0000 172.9110 136 A 4.0714 8.0345 121.4389 52.8189 19.5375 176.4630 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 3 P 0.00 4.53 0.00 1.95 2.03 0.00 3.65 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 1.96 2.14 0.00 4 V 8.88 3.82 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 0.92 0.00 0.00 0.94 0.00 0.00 5 I 8.20 4.96 1.84 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 1.56 0.56 0.86 0.00 0.00 6 R 8.93 4.93 0.00 1.91 2.03 0.00 2.80 0.00 0.00 3.45 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 7 R 8.73 4.54 0.00 1.79 2.18 0.00 3.07 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 8 A 8.80 4.35 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 9 K 8.99 4.64 0.00 1.90 1.65 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.36 7.81 10 E 8.74 3.92 0.00 1.99 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 2.38 2.31 0.00 11 I 7.72 3.94 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 1.41 0.71 0.91 0.00 0.00 12 D 8.12 4.77 0.00 2.66 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 13 L 7.55 3.97 0.00 1.79 1.72 0.92 0.55 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 14 Y 7.94 3.79 0.00 3.07 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 8.12 4.08 0.00 3.07 2.97 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 16 L 8.01 3.60 0.00 1.48 1.34 0.75 0.62 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 17 N 7.65 4.26 0.00 2.58 2.67 0.00 0.00 7.02 7.72 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 18 S 7.35 4.22 0.00 3.83 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 19 L 7.70 4.19 0.00 1.55 1.82 1.08 0.76 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 *21 Y 7.89 4.46 0.00 3.04 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 22 K 8.18 3.66 0.00 1.34 1.55 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.63 7.81 23 L 7.32 3.78 0.00 1.51 1.38 0.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 24 H 7.76 4.17 0.00 3.06 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 7.76 4.08 0.00 1.99 2.55 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 0.00 0.00 0.00 0.00 26 E 8.15 4.12 0.00 2.16 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 2.39 2.59 0.00 27 H 8.05 4.24 0.00 3.39 3.39 0.00 5.81 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.22 4.41 0.00 3.26 3.41 0.00 5.76 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.76 4.37 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.62 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 30 Q 7.95 4.40 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.21 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 31 C 7.31 4.73 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.12 0.00 2.00 1.92 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 33 D 7.23 3.63 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *44 E 7.46 4.16 0.00 1.95 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 2.21 2.44 0.00 45 K 8.61 4.34 0.00 1.87 1.82 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.49 7.81 46 S 8.60 4.03 0.00 3.88 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 47 I 8.36 3.67 1.72 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.16 0.84 0.00 0.00 48 A 8.12 3.94 1.32 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 0.00 0.00 49 R 8.01 3.89 0.00 1.89 2.01 0.00 3.15 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 50 Y 8.16 3.82 0.00 3.20 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 51 L 7.96 4.14 0.00 1.93 1.88 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.99 4.49 0.00 2.70 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 53 D 7.42 4.37 0.00 2.75 2.36 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 54 P 0.00 4.33 0.00 2.23 2.18 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 55 E 8.39 4.60 0.00 2.18 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 0.00 2.27 2.44 0.00 56 C 7.35 4.21 0.00 2.86 2.35 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 *58 V 8.04 4.04 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 0.81 0.00 0.00 0.93 0.00 0.00 59 Y 8.55 5.28 0.00 2.99 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 60 V 9.13 5.10 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 0.80 0.00 0.00 1.05 0.00 0.00 61 A 9.11 5.02 1.19 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 0.00 0.00 0.00 62 E 8.93 4.95 0.00 2.00 1.79 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 2.19 2.09 0.00 *64 D 8.70 4.62 0.00 2.76 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 65 D 7.78 4.68 0.00 2.62 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 66 V 7.56 4.37 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 0.84 0.00 0.00 0.93 0.00 0.00 67 I 8.33 4.15 1.89 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 1.48 0.54 0.98 0.00 0.00 68 I 8.28 4.17 1.24 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 0.54 0.40 0.08 0.00 0.00 69 G 7.49 4.47 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 0.00 0.00 0.00 70 F 7.82 5.48 0.00 3.25 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 71 I 9.06 4.88 1.80 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 1.12 1.47 1.10 0.00 0.00 72 T 9.17 4.97 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 1.18 0.00 0.00 73 G 8.72 4.70 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 0.00 0.00 0.00 74 H 9.28 5.10 0.00 2.98 3.22 0.00 5.27 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.78 4.95 0.00 2.92 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 76 C 8.60 4.98 0.00 3.00 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 77 E 8.56 4.88 0.00 1.85 1.88 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 2.22 2.30 0.00 78 L 8.69 4.30 0.00 1.89 1.63 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.30 4.58 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 1.49 0.91 0.92 0.00 0.00 80 S 8.33 4.78 0.00 3.92 3.83 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 0.00 0.00 0.00 81 T 8.41 4.49 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 82 V 7.52 4.52 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 0.77 0.00 0.00 0.94 0.00 0.00 83 S 7.85 4.69 0.00 3.81 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 84 K 8.39 4.19 0.00 1.73 1.75 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.53 7.81 85 L 8.35 4.35 0.00 1.54 1.63 0.93 0.86 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 86 V 8.33 4.28 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 0.97 0.00 0.00 0.96 0.00 0.00 *89 A 8.57 4.81 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 90 T 8.57 5.14 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 1.39 0.00 0.00 91 I 8.77 4.27 1.90 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 1.24 0.90 0.90 0.00 0.00 92 D 9.49 4.73 0.00 2.64 2.66 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 93 E 7.73 4.80 0.00 1.88 1.75 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 2.29 2.26 0.00 94 L 7.80 4.41 0.00 1.35 1.14 0.70 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 7.83 4.61 0.00 2.78 2.30 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 96 I 6.81 4.77 1.61 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.42 0.88 0.00 0.00 97 E 8.52 4.03 0.00 2.26 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 2.58 2.51 0.00 98 K 8.74 4.07 0.00 1.78 1.91 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.52 7.81 99 E 8.18 4.13 0.00 1.95 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 0.00 1.89 2.21 0.00 100 Y 8.28 4.47 0.00 2.88 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 0.00 101 R 7.80 4.17 0.00 1.75 1.86 0.00 3.28 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 102 R 8.49 3.89 0.00 1.94 2.00 0.00 3.32 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 103 E 7.97 4.50 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 104 G 8.34 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 0.00 0.00 0.00 105 V 7.73 3.62 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 0.85 0.00 0.00 1.03 0.00 0.00 106 A 7.82 4.01 1.23 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 0.00 0.00 107 E 8.11 3.88 0.00 1.97 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 2.28 2.37 0.00 108 Q 7.77 4.17 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.13 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 109 L 7.51 4.18 0.00 1.87 1.62 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 *112 R 7.64 3.93 0.00 1.78 1.75 0.00 2.96 0.00 0.00 3.02 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.00 113 I 7.44 3.76 1.99 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 1.29 0.97 0.00 0.00 114 E 8.09 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 2.40 2.35 0.00 115 Q 7.98 3.95 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 116 E 8.03 4.50 0.00 2.15 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 0.00 2.48 2.55 0.00 117 L 8.12 4.47 0.00 2.09 1.81 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.65 4.00 0.00 2.13 1.91 0.00 1.57 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.54 7.81 119 D 8.29 4.70 0.00 2.90 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 0.00 120 Y 7.97 4.28 0.00 3.40 2.83 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 0.00 0.00 0.00 121 G 8.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.86 3.92 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 1.06 0.00 0.00 1.02 0.00 0.00 123 K 8.79 4.21 0.00 1.75 1.86 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.41 7.81 124 E 7.86 4.77 0.00 1.76 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 2.17 2.20 0.00 125 I 7.92 4.59 1.77 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 1.17 1.53 0.89 0.00 0.00 126 F 8.68 5.05 0.00 3.05 2.97 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 0.00 127 V 8.82 4.53 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 0.86 0.00 0.00 0.98 0.00 0.00 128 E 9.47 4.71 0.00 2.12 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 2.48 2.45 0.00 129 V 7.72 3.66 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 0.25 0.00 0.00 0.88 0.00 0.00 130 W 7.87 3.72 0.00 3.71 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *133 N 7.75 4.71 0.00 2.90 3.02 0.00 0.00 5.93 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 0.00 134 K 7.93 4.33 0.00 1.88 1.80 0.00 1.70 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.46 7.81 135 G 8.10 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 0.00 136 A 8.03 4.07 1.19 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.