NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4039 8.0433 122.6807 54.8251 42.8595 174.7319 4 I 4.4885 8.2214 126.4248 58.8240 38.4283 170.1726 5 V 4.3721 9.7451 128.8683 61.1370 34.4287 173.7007 6 N 5.1487 8.8023 125.8343 52.3439 40.4846 174.2903 7 V 4.8310 8.9551 123.7233 61.3682 34.1651 174.0921 8 I 4.8701 8.8983 129.9804 59.6512 39.7883 174.4235 9 N 5.3726 9.2171 125.2345 51.7013 40.6223 175.6731 10 G 4.1987 9.3848 114.7813 44.0928 0.0000 170.9664 11 P 4.4225 0.0000 0.0000 64.3329 31.4120 176.6404 12 N 4.4059 9.0488 117.1270 53.8600 37.1692 175.7063 13 L 4.1927 7.5044 116.3184 55.2451 42.1855 177.8986 14 G 3.6621 8.0332 107.2765 46.8936 0.0000 174.0893 15 R 4.6640 7.0463 116.7159 55.3093 29.5594 176.3636 16 L 4.1654 7.4938 117.7786 56.6020 42.7157 178.1841 17 G 4.2723 8.8048 108.1872 45.8046 0.0000 174.2774 18 R 4.6443 7.7134 118.0166 55.7203 32.9358 177.0677 *25 G 3.9930 8.7202 107.8138 45.0209 0.0000 177.1542 26 G 4.2238 8.8614 108.4216 44.7114 0.0000 171.5521 27 T 4.6229 7.7750 120.1745 61.1583 72.8455 174.9799 28 T 4.6183 8.1737 117.4180 60.8083 71.1757 175.4903 29 H 4.0984 8.6232 120.5513 59.5285 29.8732 176.9908 30 D 4.3218 8.0592 120.2467 57.4538 40.6668 178.4948 31 E 3.9960 7.8400 117.8517 59.0484 29.4186 179.0887 32 L 3.8878 7.7057 120.5303 57.8324 42.0074 179.1402 33 V 3.3992 7.6435 118.0390 65.9120 31.4731 177.8756 34 A 3.9311 7.6931 120.0099 55.1465 18.2485 179.5995 35 L 3.9277 8.2728 117.8960 57.9793 41.6011 179.9318 36 I 3.7182 7.8310 119.7265 64.3708 37.2004 178.2945 37 E 3.9120 8.3168 119.6514 59.3851 28.8443 179.5000 38 R 3.8735 8.0087 118.7290 59.4220 30.3458 178.2328 39 E 3.9441 8.1993 118.9003 59.1437 29.6193 178.6469 40 A 4.0857 8.3769 121.0293 54.9819 17.8970 179.4916 41 A 4.0973 7.9655 119.0429 55.2478 18.2196 179.5764 42 E 4.0537 7.8395 115.4507 58.4567 29.6509 178.3356 43 L 4.4977 7.3761 116.2051 53.8678 42.6220 176.3880 44 G 3.8081 7.8990 105.8727 46.4638 0.0000 173.1720 45 L 5.0475 8.3594 119.7957 53.0644 46.1338 177.3115 46 K 4.6110 8.7018 124.2152 53.5941 34.0059 175.9949 47 A 5.0719 8.5851 127.2295 49.2720 21.1613 175.9456 48 V 4.0409 8.5269 123.4629 61.3291 33.2751 174.5249 49 V 4.7057 8.1507 128.6047 61.3138 32.7661 175.0357 50 R 4.6153 8.7203 126.1244 54.3959 34.5138 174.0103 51 Q 5.1955 8.5834 121.8136 54.7867 32.2427 174.1557 52 S 4.7827 8.9638 118.7672 57.5510 65.4545 173.8399 53 D 4.5487 8.8813 124.6009 55.1209 41.5629 176.8199 54 S 4.4544 7.8120 115.5691 56.8716 63.5614 173.9266 55 E 3.8464 8.7213 129.7230 59.3304 29.6274 178.4199 56 A 3.9190 7.8629 120.3234 55.2057 18.5526 179.2554 57 Q 3.4626 7.6299 117.9902 58.9993 29.1448 178.3791 58 L 3.9535 7.5440 120.0128 57.7293 41.5652 179.4548 59 L 3.8748 7.8611 118.9049 57.6912 41.5202 179.0352 60 D 4.3543 7.7425 117.4285 57.3209 40.9902 178.4811 61 W 4.5417 7.8909 119.0056 59.6992 28.9414 178.7203 62 I 3.8490 7.7014 119.6569 64.5711 36.6087 177.9707 63 H 4.2738 8.3507 117.3504 59.2041 28.5657 177.9181 64 Q 4.0746 8.2879 119.5208 58.8840 28.4405 178.6856 65 A 4.0414 7.9695 121.7052 54.9909 18.4648 179.5808 66 A 3.9750 8.3005 119.5195 55.2551 18.1945 179.6955 67 D 4.3497 7.9873 116.5947 57.2642 41.1122 178.0950 68 A 4.2085 8.1070 117.8492 51.3605 19.3415 176.6596 69 A 3.7192 7.2689 118.5552 53.1861 16.7625 176.9599 70 E 4.7670 8.0908 118.9637 54.7142 31.9010 176.0082 71 P 4.6699 0.0000 0.0000 62.8872 33.2141 175.3411 72 V 4.7981 8.5768 121.4492 61.3571 34.8914 174.1743 73 I 4.8425 9.0851 129.4896 59.8415 38.8961 174.2916 74 L 5.0883 9.1909 130.2388 53.1748 44.8938 174.6066 75 N 5.2569 9.6163 125.3204 50.9525 40.0968 174.4261 76 A 4.1869 8.6577 128.2549 51.9008 20.3101 178.4787 77 G 3.9597 7.8526 105.8601 46.4844 0.0000 178.2568 78 G 3.7643 8.6840 112.7639 47.8681 0.0000 174.5926 79 L 4.4918 7.6531 118.9203 56.1297 42.1660 179.2319 80 T 3.9023 7.8388 116.5843 66.4106 68.4021 175.4011 81 H 5.0572 7.7834 116.0249 56.0819 29.5606 175.6236 82 T 4.5821 7.7857 107.8591 61.0936 70.5037 173.1097 83 S 4.5879 8.0341 117.5968 56.6147 62.7827 174.5490 84 V 3.3999 7.9549 128.1900 65.3908 31.4652 177.3710 85 A 3.9432 7.8719 120.2923 55.2771 18.1960 179.2605 86 L 3.9106 8.0046 118.6442 57.9609 42.1894 179.0222 87 R 3.8937 7.5811 117.3954 59.7309 29.8636 178.2245 88 D 4.3799 8.3048 117.2923 57.3185 40.9161 178.4802 89 A 4.1794 7.9407 120.9512 55.4124 18.3266 179.4588 90 C 4.2174 8.3169 114.5189 62.2607 27.9520 175.9875 91 A 4.1124 7.6872 121.7393 54.7863 17.9601 178.5860 92 E 4.0460 7.8496 116.5936 58.9264 29.8110 177.7989 93 L 4.0916 7.5226 119.6314 55.0154 41.9308 177.2108 94 S 4.3056 8.7351 118.4180 60.4736 63.8638 174.6451 95 A 4.4208 7.6749 120.9142 50.3457 19.5005 175.7408 96 P 4.4354 0.0000 0.0000 62.9205 33.1348 175.2560 97 L 5.1658 9.2119 124.3902 53.4431 45.2541 174.9995 98 I 4.8090 8.8334 127.8013 59.4444 39.1875 174.4423 99 E 4.6342 8.9249 129.3978 55.6614 30.7315 175.3530 100 V 4.7067 8.8238 126.4298 61.3578 35.2171 173.7246 101 H 4.9351 8.9241 123.9321 54.2292 32.0529 174.4986 102 I 3.7934 8.6670 124.3554 64.3753 37.8510 176.8501 103 S 4.6013 7.8851 114.2360 56.7228 64.5614 173.4872 104 N 4.4470 8.3949 119.6233 53.2218 37.6416 175.8073 105 V 3.7009 8.1334 125.7262 63.7116 31.7071 176.6896 106 H 4.5101 8.0904 116.1541 56.1474 29.0099 175.3007 107 A 4.7220 7.7934 121.6899 51.7880 20.0388 177.4043 108 R 4.5784 7.0945 116.4082 57.0006 30.2081 177.6094 109 E 4.1300 8.2451 126.1583 56.7876 30.2753 177.4650 110 E 3.9751 8.5414 120.6907 59.3728 29.7045 179.5522 111 F 4.3821 7.8393 113.1107 59.1610 38.1540 176.8315 112 R 3.4353 6.5864 118.1111 57.5134 29.9833 177.1644 113 R 4.2057 7.6158 116.1563 56.3049 30.3436 175.4171 114 H 4.8831 7.5854 118.2553 54.0566 31.8148 173.0823 115 S 4.7216 8.0476 120.0259 56.5800 64.8784 173.4621 116 Y 4.2513 8.4962 124.9769 60.2954 38.3574 177.1055 117 L 4.2749 7.9957 119.7847 57.3811 42.4583 178.7967 118 S 4.2568 8.0712 113.5219 60.4881 62.9441 174.1767 119 P 4.3896 0.0000 0.0000 65.3061 31.0789 177.5001 120 I 4.0355 7.6291 108.6279 61.6331 38.3750 175.9069 121 A 4.2574 7.6703 124.0806 52.2401 18.9322 177.6769 122 T 4.0891 8.9264 117.7378 66.5475 69.0130 175.1855 123 G 4.0718 7.5512 105.8001 45.2014 0.0000 171.9305 124 V 4.8945 8.0876 119.2515 60.9744 34.3900 174.3992 125 I 4.4967 8.7721 129.0031 59.5202 39.4905 174.8409 126 V 4.5758 8.0574 126.1163 61.9807 34.3456 175.4847 127 G 3.9096 8.8351 114.9131 46.1169 0.0000 173.5669 128 L 4.5098 7.8260 117.0807 53.6345 42.7889 178.6950 129 G 3.8162 8.0000 108.2653 46.2154 0.0000 175.8614 130 I 3.9219 8.4552 118.5633 64.7076 37.1128 177.7068 131 Q 4.2439 8.2377 119.5114 58.4310 28.7416 178.0747 132 G 3.5893 7.9678 106.6657 48.2432 0.0000 175.2772 133 Y 4.0657 7.9442 118.5362 60.9356 37.7705 178.6024 134 L 4.1073 7.9072 119.4817 57.7981 41.6976 179.3927 135 L 4.0682 8.3813 118.9682 57.4596 41.0631 179.3656 136 A 4.0475 7.8947 120.9560 55.0012 18.3291 179.6548 137 L 4.0647 7.9430 117.2841 57.9440 41.4422 179.7207 138 R 3.9545 7.6751 118.0976 59.3650 30.1103 177.6057 139 Y 4.1856 7.9179 119.5482 60.7568 38.6874 178.1308 140 L 3.9724 7.8678 118.5323 57.5901 41.5430 179.1324 141 A 4.0695 7.8921 119.3907 54.0063 18.4513 178.1942 142 E 4.2436 7.5132 115.9047 56.7882 30.0374 175.6029 143 H 4.3137 7.6573 120.4595 56.5584 29.2139 173.5746 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 L 8.04 4.40 0.00 1.36 1.68 0.92 0.58 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 4 I 8.22 4.49 2.01 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 1.22 1.08 0.93 0.00 0.00 5 V 9.75 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 1.00 0.00 0.00 0.95 0.00 0.00 6 N 8.80 5.15 0.00 2.83 2.66 0.00 0.00 5.99 7.82 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 7 V 8.96 4.83 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 1.11 0.00 0.00 0.96 0.00 0.00 8 I 8.90 4.87 1.97 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.01 1.20 0.00 0.00 9 N 9.22 5.37 0.00 2.68 2.78 0.00 0.00 6.45 8.44 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 10 G 9.38 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 11 P 0.00 4.42 0.00 2.08 2.03 0.00 4.01 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 2.05 2.27 0.00 12 N 9.05 4.41 0.00 2.99 3.00 0.00 0.00 6.96 6.75 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 13 L 7.50 4.19 0.00 1.90 1.77 1.10 0.93 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 14 G 8.03 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 15 R 7.05 4.66 0.00 1.77 1.98 0.00 3.08 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 16 L 7.49 4.17 0.00 1.76 1.83 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.80 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 0.00 0.00 0.00 0.00 18 R 7.71 4.64 0.00 1.77 1.90 0.00 3.25 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 *25 G 8.72 3.99 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 0.00 0.00 0.00 26 G 8.86 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 0.00 0.00 0.00 0.00 27 T 7.77 4.62 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 28 T 8.17 4.62 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 1.21 0.00 0.00 29 H 8.62 4.10 0.00 3.27 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.06 4.32 0.00 2.71 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 31 E 7.84 4.00 0.00 2.20 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 2.31 2.29 0.00 32 L 7.71 3.89 0.00 1.79 1.68 0.72 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.64 3.40 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 0.71 0.00 0.00 34 A 7.69 3.93 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 35 L 8.27 3.93 0.00 1.84 1.70 0.91 0.73 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 36 I 7.83 3.72 1.84 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.62 0.88 0.00 0.00 37 E 8.32 3.91 0.00 2.02 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 2.29 2.38 0.00 38 R 8.01 3.87 0.00 1.97 2.08 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 39 E 8.20 3.94 0.00 2.28 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 2.33 2.38 0.00 40 A 8.38 4.09 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 41 A 7.97 4.10 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 42 E 7.84 4.05 0.00 2.13 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 2.34 2.49 0.00 43 L 7.38 4.50 0.00 1.85 1.71 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.90 3.81 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 0.00 0.00 0.00 45 L 8.36 5.05 0.00 1.53 1.53 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.70 4.61 0.00 1.45 1.67 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.28 1.24 7.81 47 A 8.59 5.07 1.18 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 0.00 0.00 48 V 8.53 4.04 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 0.64 0.00 0.00 0.87 0.00 0.00 49 V 8.15 4.71 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 0.70 0.00 0.00 0.82 0.00 0.00 50 R 8.72 4.62 0.00 0.67 0.66 0.00 2.21 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 1.13 1.11 0.00 51 Q 8.58 5.20 0.00 1.98 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.25 0.00 52 S 8.96 4.78 0.00 3.92 3.58 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 0.00 0.00 0.00 0.00 53 D 8.88 4.55 0.00 2.70 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 54 S 7.81 4.45 0.00 3.82 3.59 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 55 E 8.72 3.85 0.00 2.04 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 2.33 2.35 0.00 56 A 7.86 3.92 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 57 Q 7.63 3.46 0.00 1.76 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 1.59 1.16 0.00 58 L 7.54 3.95 0.00 1.86 1.72 0.94 0.86 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 59 L 7.86 3.87 0.00 1.77 1.59 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.74 4.35 0.00 2.77 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.89 4.54 0.00 3.65 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 62 I 7.70 3.85 1.95 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 1.85 0.93 0.93 0.00 0.00 63 H 8.35 4.27 0.00 3.37 3.35 0.00 5.64 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 64 Q 8.29 4.07 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 65 A 7.97 4.04 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 66 A 8.30 3.97 1.42 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 0.00 0.00 67 D 7.99 4.35 0.00 2.87 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 68 A 8.11 4.21 1.42 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 0.00 0.00 69 A 7.27 3.72 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 70 E 8.09 4.77 0.00 1.86 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 2.26 2.46 0.00 71 P 0.00 4.67 0.00 2.10 2.01 0.00 3.77 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 2.13 2.11 0.00 72 V 8.58 4.80 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 1.01 0.00 0.00 1.01 0.00 0.00 73 I 9.09 4.84 1.95 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 1.14 0.67 0.97 0.00 0.00 74 L 9.19 5.09 0.00 1.70 1.48 1.05 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.62 5.26 0.00 2.79 3.00 0.00 0.00 6.97 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 76 A 8.66 4.19 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 77 G 7.85 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 78 G 8.68 3.76 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 0.00 0.00 0.00 79 L 7.65 4.49 0.00 1.85 1.73 0.92 0.74 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 80 T 7.84 3.90 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 1.26 0.00 0.00 81 H 7.78 5.06 0.00 3.29 3.47 0.00 5.60 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.79 4.58 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 83 S 8.03 4.59 0.00 3.86 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 84 V 7.95 3.40 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 0.91 0.00 0.00 0.39 0.00 0.00 85 A 7.87 3.94 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 86 L 8.00 3.91 0.00 1.76 1.65 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.58 3.89 0.00 2.00 2.07 0.00 3.41 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 88 D 8.30 4.38 0.00 2.77 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 89 A 7.94 4.18 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 90 C 8.32 4.22 0.00 3.15 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 91 A 7.69 4.11 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 92 E 7.85 4.05 0.00 2.19 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 2.37 2.31 0.00 93 L 7.52 4.09 0.00 1.69 1.79 0.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.74 4.31 0.00 3.99 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 95 A 7.67 4.42 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 96 P 0.00 4.44 0.00 2.19 2.13 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 2.18 2.16 0.00 97 L 9.21 5.17 0.00 1.68 1.48 0.97 1.16 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 98 I 8.83 4.81 1.82 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.77 0.81 0.00 0.00 99 E 8.92 4.63 0.00 2.02 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 2.23 2.21 0.00 100 V 8.82 4.71 1.68 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 0.19 0.00 0.00 0.69 0.00 0.00 101 H 8.92 4.94 0.00 3.01 3.10 0.00 5.67 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 0.00 102 I 8.67 3.79 1.93 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 1.57 0.61 0.96 0.00 0.00 103 S 7.89 4.60 0.00 3.97 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 0.00 104 N 8.39 4.45 0.00 2.73 2.76 0.00 0.00 6.63 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 0.00 105 V 8.13 3.70 1.87 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 0.43 0.00 0.00 0.83 0.00 0.00 106 H 8.09 4.51 0.00 3.31 3.32 0.00 5.63 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.79 4.72 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 0.00 108 R 7.09 4.58 0.00 1.61 1.23 0.00 3.17 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 109 E 8.25 4.13 0.00 1.16 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 2.42 2.31 0.00 110 E 8.54 3.98 0.00 2.00 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 2.37 2.23 0.00 111 F 7.84 4.38 0.00 3.21 3.31 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 0.00 112 R 6.59 3.44 0.00 1.63 1.74 0.00 2.90 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.52 0.00 113 R 7.62 4.21 0.00 1.93 1.98 0.00 3.09 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 114 H 7.59 4.88 0.00 3.05 3.14 0.00 5.89 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 0.00 115 S 8.05 4.72 0.00 3.77 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 0.00 116 Y 8.50 4.25 0.00 3.04 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 0.00 117 L 8.00 4.27 0.00 1.86 1.72 0.93 0.97 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 0.00 118 S 8.07 4.26 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 0.00 119 P 0.00 4.39 0.00 2.07 2.14 0.00 3.79 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 2.05 2.09 0.00 120 I 7.63 4.04 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.77 0.94 0.00 0.00 121 A 7.67 4.26 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 0.00 122 T 8.93 4.09 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 1.25 0.00 0.00 123 G 7.55 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.09 4.89 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 0.90 0.00 0.00 0.94 0.00 0.00 125 I 8.77 4.50 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.44 0.85 0.00 0.00 126 V 8.06 4.58 2.08 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 0.86 0.00 0.00 0.92 0.00 0.00 127 G 8.84 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 0.00 0.00 0.00 128 L 7.83 4.51 0.00 1.61 1.67 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.00 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 0.00 0.00 0.00 130 I 8.46 3.92 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.08 0.96 0.00 0.00 131 Q 8.24 4.24 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 132 G 7.97 3.59 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 0.00 0.00 0.00 133 Y 7.94 4.07 0.00 3.26 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 0.00 134 L 7.91 4.11 0.00 1.84 1.75 0.95 0.69 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 0.00 135 L 8.38 4.07 0.00 1.68 1.73 0.92 0.99 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 0.00 136 A 7.89 4.05 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 0.00 137 L 7.94 4.06 0.00 2.00 1.76 0.95 0.58 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 0.00 138 R 7.68 3.95 0.00 1.92 2.15 0.00 3.30 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 139 Y 7.92 4.19 0.00 3.07 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 0.00 140 L 7.87 3.97 0.00 1.95 1.74 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.89 4.07 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 0.00 142 E 7.51 4.24 0.00 2.13 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 2.24 2.31 0.00 143 H 7.66 4.31 0.00 2.81 3.03 0.00 5.93 0.00 0.00 0.00 0.00 6.91 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.