NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.0905 8.1849 120.5375 54.0780 41.9151 175.3367 3 W 4.4947 7.7307 122.7504 56.2097 29.7355 175.1351 4 K 4.5243 9.7800 122.6377 56.3924 32.9177 176.5186 5 K 4.7449 7.9258 117.7298 54.7216 35.7209 175.2188 6 T 4.3032 8.3438 116.6071 60.6579 68.6652 173.6657 7 F 4.7720 7.0130 121.4997 55.3482 40.7319 173.3177 8 T 4.7406 8.1217 109.2179 59.2550 72.9412 174.4679 9 L 3.9978 8.6319 122.1736 57.9866 41.6820 179.4497 10 E 3.9478 8.1645 118.8527 59.2796 29.5505 178.4984 11 N 4.3054 8.0769 116.2030 56.3254 38.5591 177.3817 12 L 3.8207 7.6856 119.9869 57.9291 41.4494 179.4455 13 N 4.3493 7.9480 115.3612 56.1770 38.6337 177.0170 14 Q 4.0607 8.0258 121.2430 58.9594 28.9270 177.8934 15 L 4.0372 7.9621 120.6151 57.2696 42.1872 177.5805 16 C 4.4724 7.3206 114.2843 58.4884 28.8707 174.0331 17 S 4.1173 7.0912 115.9891 59.2124 63.6030 173.4567 18 N 4.1068 8.6896 118.8462 54.1794 36.9785 171.9316 19 S 4.5172 7.9979 111.8804 56.2541 66.7338 174.8054 20 A 4.0088 8.5620 120.6287 55.1937 17.8301 179.9693 21 V 3.4941 7.6092 116.9743 66.3036 31.6775 178.4721 22 S 4.1897 7.9776 113.4806 61.5062 62.8754 175.6333 23 H 4.2266 8.2653 121.2486 58.5719 29.6376 176.2205 24 L 4.4075 7.7427 118.3600 53.9100 41.6515 177.2621 25 G 3.8992 7.7644 106.7030 45.9977 0.0000 174.0070 26 I 4.2431 7.5316 120.5020 60.9841 37.9266 175.3187 27 E 4.7115 9.0762 126.8117 54.2712 33.0304 174.4617 28 I 4.2743 9.0580 128.7310 61.5719 36.6409 176.0165 29 S 4.3422 8.7409 122.7683 60.4323 63.7685 174.1781 30 A 4.7256 7.7313 121.4250 51.4753 21.7667 174.2563 31 F 4.6701 7.8313 112.9732 55.7186 40.7685 174.4141 32 G 3.4463 7.3117 111.6080 44.3371 0.0000 172.6875 33 E 4.3061 8.7589 118.2124 58.6788 29.8534 177.0001 34 D 4.5836 7.7180 116.8927 51.8618 40.2864 174.4632 35 W 5.5710 7.8749 114.2257 57.9476 31.4591 172.5353 36 I 5.2998 8.8982 119.6722 60.0296 41.3821 173.1567 37 E 5.9800 10.5310 127.3932 53.8623 33.7924 174.6530 38 A 5.2326 8.4318 121.6048 50.9905 23.1625 175.6989 39 T 5.7752 9.0073 112.2035 58.5949 72.2299 171.3334 *41 P 4.3006 0.0000 0.0000 63.2633 32.5312 176.9725 42 V 4.6139 8.5168 121.6415 60.3248 30.5826 173.9301 43 D 5.0805 7.7083 124.0335 51.0155 42.6380 176.5678 44 H 4.2629 8.9569 113.3769 58.2914 28.4397 176.5840 45 R 3.9743 8.4132 119.8859 58.2731 30.7411 176.8509 46 T 4.4734 7.8231 107.5419 60.1560 68.5685 172.6453 *48 Q 4.2948 7.4366 123.1828 55.8597 30.4430 173.5553 49 P 4.5367 0.0000 0.0000 64.2945 31.2383 177.0183 50 F 4.4160 8.4406 116.0987 57.1385 39.3419 176.5031 51 G 4.0154 8.7505 109.6279 44.9771 0.0000 173.6178 52 V 4.6909 7.2333 111.1667 58.5317 35.1910 175.1716 53 L 3.9052 8.4771 124.6040 56.1915 42.6223 176.3249 54 H 4.1196 9.5421 127.3652 56.0626 30.2638 175.9837 55 G 3.5600 8.9981 113.4712 48.0274 0.0000 175.3507 56 G 3.7269 8.2291 107.6026 47.5986 0.0000 175.8273 57 V 3.6669 7.8684 119.9848 65.6162 31.5070 178.1824 58 S 4.1468 7.9938 115.2720 61.5517 62.6769 176.7294 59 V 3.5865 7.7401 120.6777 65.8637 31.2306 177.8156 60 A 4.0152 7.8674 120.4099 55.0761 18.2015 179.4000 61 L 3.8461 7.9567 118.5282 58.0991 42.1467 178.9254 62 A 3.9920 8.0836 120.8418 55.4144 18.4174 179.3591 63 E 3.8802 8.6737 118.0062 59.3880 29.6195 179.1138 64 T 3.7743 7.8275 116.0875 66.7447 68.6321 176.5442 65 I 3.7626 7.9516 120.5501 63.7352 37.9628 178.2786 66 G 3.3269 8.2069 107.0042 47.6403 0.0000 176.0323 67 S 3.9287 7.9187 117.7301 61.0130 62.9087 176.4095 68 L 3.7084 7.6871 122.7535 58.0517 41.5571 178.7698 69 A 3.8987 7.3631 119.3329 54.9975 18.4708 179.4938 70 G 3.8612 7.2277 104.2662 48.0856 0.0000 176.0642 71 S 4.2153 8.1014 117.1322 61.0262 62.8927 176.2638 72 L 4.2164 7.9734 121.5546 56.5699 41.1706 177.8334 73 C 4.8206 8.0504 115.2899 58.8156 28.8547 173.0187 74 L 4.8428 7.1799 121.0069 52.4887 43.9111 176.3510 75 E 4.3081 8.4850 119.8784 55.3947 30.6280 175.8158 76 E 4.0200 8.5527 118.8300 58.5421 29.8737 177.4892 77 G 4.0810 9.2329 109.9050 44.6089 0.0000 173.0046 78 K 4.9567 7.4202 117.3038 55.0737 35.0365 175.5809 79 T 4.7162 8.7843 116.9508 61.0519 71.4401 172.2927 80 V 5.0971 8.3428 113.6681 59.5503 35.4956 175.6243 81 V 4.3842 8.4499 121.7753 60.8033 34.6934 174.9050 82 G 3.8863 8.8494 115.4933 46.9169 0.0000 172.6984 83 L 4.6775 8.8933 126.5807 56.4118 42.6882 176.5259 84 D 4.6961 7.7851 115.5188 53.0023 42.4529 173.5588 85 I 5.0982 8.0257 118.1092 60.1337 41.2162 172.9143 86 N 5.2523 8.7770 123.3113 51.7488 41.2228 172.7342 87 A 4.9021 8.1418 118.1211 51.3194 22.3820 175.2603 88 N 4.8686 8.9469 118.0483 51.7153 41.6629 173.6053 89 H 4.8260 8.6619 120.8886 54.9983 29.0484 174.9521 90 L 4.4834 8.9272 125.1978 56.7544 42.4612 177.5889 91 R 4.5458 7.5330 111.4991 54.1929 31.6529 172.6680 92 P 4.3133 0.0000 0.0000 62.6973 32.1269 176.0345 93 V 4.2865 8.1706 119.8439 61.3696 32.9422 176.1365 94 R 4.1000 8.6529 127.2952 58.3724 30.6621 176.1615 95 S 4.4217 7.7835 109.4116 58.3777 65.7775 173.9486 96 G 3.8835 8.6485 108.1687 45.3737 0.0000 172.4727 97 K 4.9366 8.4052 117.6430 55.0692 36.0265 175.5147 98 V 4.6595 8.0403 112.3861 60.1176 34.9023 174.7447 99 T 5.0863 8.7383 119.2734 61.7925 71.7130 172.7573 100 A 5.0793 9.0334 128.7876 50.2134 21.6234 175.0334 101 R 5.0910 9.0063 123.7749 54.7026 32.2628 174.4985 102 A 5.5323 9.1217 128.9677 50.8734 21.1974 175.7774 103 T 5.1648 9.3908 112.6469 59.1729 72.4749 171.8314 104 P 3.5153 0.0000 0.0000 62.9075 31.7399 175.5594 105 I 4.1801 7.8599 122.4116 62.7834 39.2406 176.0593 106 N 4.5286 7.3450 118.2358 52.4778 42.3981 173.0545 107 L 4.8084 8.6431 126.3693 53.2704 43.6635 176.0123 108 G 4.1060 8.5779 113.5686 43.3936 0.0000 172.6441 109 R 4.1370 8.4416 117.1020 58.0806 30.4687 177.6461 110 N 4.9569 8.1900 113.7581 53.2151 41.3317 174.0796 111 I 5.2338 7.5026 117.1873 59.5042 41.7190 174.5501 112 Q 5.0666 9.2266 124.1201 54.0910 32.7767 174.5629 113 V 4.9493 8.8633 122.5774 61.0119 34.4673 174.2856 114 W 5.1453 9.5936 127.6824 54.9031 32.8948 174.1137 115 Q 5.0827 9.3356 124.5295 54.5830 30.9089 174.2526 116 I 5.0843 9.2018 127.1280 59.8105 40.6178 173.9491 117 D 5.3413 8.8867 127.3337 52.5049 43.6448 175.3449 118 I 5.0308 9.0089 124.7297 59.5140 39.6783 175.0104 119 R 5.2246 8.9485 123.1589 54.5855 33.3524 175.3823 120 T 4.8695 8.5623 111.5510 60.3046 71.0393 175.2824 121 E 3.9562 8.8256 118.4856 59.3708 29.5886 177.3517 122 E 4.3316 8.1589 117.1046 55.7887 29.3718 175.6763 123 N 4.2581 7.9681 114.4510 54.1304 36.9028 173.9597 124 K 4.3512 7.5689 117.6534 54.6060 33.2897 176.0907 125 L 4.4961 8.5480 126.3395 55.4553 42.3030 175.7709 126 C 4.7887 9.0945 121.0989 58.6365 32.3122 173.1818 127 C 5.1870 7.7697 119.0200 58.3687 34.8136 172.6912 128 V 4.9360 8.5493 118.6284 59.7674 34.8475 174.6327 129 S 5.0851 9.1752 118.2246 56.8626 66.8288 172.3872 130 R 5.1662 8.8805 123.7931 54.4277 33.3922 173.5471 131 L 5.2271 9.2778 128.0894 53.6006 45.2445 174.7949 132 T 5.1501 8.9659 122.8451 61.9271 70.8118 173.4553 133 L 5.2743 9.2881 126.2677 52.9706 45.8430 175.2051 134 S 5.0794 8.9535 116.6675 56.7281 64.7120 172.9037 135 V 4.7485 8.6465 127.9893 61.8205 32.3678 175.0756 136 I 4.6401 8.6024 121.3318 58.8377 40.5961 175.1259 137 N 5.0601 8.2918 124.4343 49.4870 35.3854 174.7048 138 L 4.1118 7.9345 125.6404 56.6696 43.3795 173.4734 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 L 8.18 4.09 0.00 1.52 1.65 0.86 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 3 W 7.73 4.49 0.00 3.57 3.48 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 0.00 4 K 9.78 4.52 0.00 1.93 1.91 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.68 7.81 5 K 7.93 4.74 0.00 1.87 1.78 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.58 1.64 7.81 6 T 8.34 4.30 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 1.21 0.00 0.00 7 F 7.01 4.77 0.00 2.91 2.86 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 0.00 0.00 0.00 8 T 8.12 4.74 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 1.20 0.00 0.00 9 L 8.63 4.00 0.00 1.80 1.82 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.16 3.95 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 2.37 2.40 0.00 11 N 8.08 4.31 0.00 3.01 2.82 0.00 0.00 7.04 6.27 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 12 L 7.69 3.82 0.00 1.70 1.49 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.95 4.35 0.00 2.82 2.86 0.00 0.00 7.02 7.46 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 14 Q 8.03 4.06 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 15 L 7.96 4.04 0.00 1.67 1.77 0.87 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 16 C 7.32 4.47 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 17 S 7.09 4.12 0.00 3.93 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 18 N 8.69 4.11 0.00 2.81 2.85 0.00 0.00 6.82 7.63 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 19 S 8.00 4.52 0.00 3.98 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 20 A 8.56 4.01 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 21 V 7.61 3.49 2.21 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 1.01 0.00 0.00 0.89 0.00 0.00 22 S 7.98 4.19 0.00 4.08 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 0.00 23 H 8.27 4.23 0.00 3.23 3.54 0.00 5.94 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.74 4.41 0.00 1.66 1.65 0.91 0.94 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 25 G 7.76 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 26 I 7.53 4.24 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 1.10 0.56 0.93 0.00 0.00 27 E 9.08 4.71 0.00 1.99 1.74 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 2.20 2.36 0.00 28 I 9.06 4.27 1.82 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 1.40 0.79 0.80 0.00 0.00 29 S 8.74 4.34 0.00 4.09 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 30 A 7.73 4.73 1.48 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 0.00 0.00 0.00 31 F 7.83 4.67 0.00 3.10 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 32 G 7.31 3.45 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 0.00 33 E 8.76 4.31 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 2.34 2.30 0.00 34 D 7.72 4.58 0.00 2.68 2.58 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 35 W 7.87 5.57 0.00 3.65 3.35 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 36 I 8.90 5.30 1.92 0.00 0.00 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 1.36 1.47 1.00 0.00 0.00 37 E 10.53 5.98 0.00 2.12 1.93 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 2.39 2.67 0.00 38 A 8.43 5.23 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 39 T 9.01 5.78 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 1.25 0.00 0.00 *41 P 0.00 4.30 0.00 2.29 2.13 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.96 0.00 42 V 8.52 4.61 2.21 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 1.09 0.00 0.00 0.98 0.00 0.00 43 D 7.71 5.08 0.00 2.94 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 44 H 8.96 4.26 0.00 3.30 3.47 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.41 3.97 0.00 1.86 1.91 0.00 2.98 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.34 0.00 46 T 7.82 4.47 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 1.23 0.00 0.00 *48 Q 7.44 4.29 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.98 7.03 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 49 P 0.00 4.54 0.00 2.29 2.16 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 50 F 8.44 4.42 0.00 3.10 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 51 G 8.75 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.23 4.69 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 53 L 8.48 3.91 0.00 1.72 1.61 0.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 54 H 9.54 4.12 0.00 3.29 3.18 0.00 5.66 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 55 G 9.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.23 3.73 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 0.00 0.00 0.00 57 V 7.87 3.67 2.23 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 1.05 0.00 0.00 0.79 0.00 0.00 58 S 7.99 4.15 0.00 4.20 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 59 V 7.74 3.59 2.28 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 0.99 0.00 0.00 1.04 0.00 0.00 60 A 7.87 4.02 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 61 L 7.96 3.85 0.00 1.79 1.91 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.08 3.99 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 63 E 8.67 3.88 0.00 2.00 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 2.28 2.34 0.00 64 T 7.83 3.77 4.38 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 1.15 0.00 0.00 65 I 7.95 3.76 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.21 1.01 0.00 0.00 66 G 8.21 3.33 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 0.00 67 S 7.92 3.93 0.00 3.82 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 68 L 7.69 3.71 0.00 1.66 1.65 0.64 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.36 3.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.23 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.10 4.22 0.00 4.01 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 72 L 7.97 4.22 0.00 1.98 1.77 -0.50 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 73 C 8.05 4.82 0.00 3.44 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 74 L 7.18 4.84 0.00 1.79 1.60 0.96 1.44 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 75 E 8.49 4.31 0.00 2.22 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 2.38 2.42 0.00 76 E 8.55 4.02 0.00 1.99 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 2.35 2.31 0.00 77 G 9.23 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 0.00 0.00 0.00 78 K 7.42 4.96 0.00 1.80 1.73 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.47 7.81 79 T 8.78 4.72 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 1.21 0.00 0.00 80 V 8.34 5.10 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 0.94 0.00 0.00 81 V 8.45 4.38 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 1.05 0.00 0.00 0.93 0.00 0.00 82 G 8.85 3.89 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 0.00 0.00 0.00 83 L 8.89 4.68 0.00 1.74 1.74 0.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.79 4.70 0.00 2.76 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 85 I 8.03 5.10 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 1.42 0.88 0.96 0.00 0.00 86 N 8.78 5.25 0.00 2.85 2.84 0.00 0.00 6.78 7.38 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 87 A 8.14 4.90 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 88 N 8.95 4.87 0.00 2.66 2.68 0.00 0.00 7.09 8.34 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 89 H 8.66 4.83 0.00 3.03 3.23 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.93 4.48 0.00 1.52 1.72 0.97 0.89 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 91 R 7.53 4.55 0.00 1.87 1.85 0.00 3.04 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 92 P 0.00 4.31 0.00 2.21 2.09 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 93 V 8.17 4.29 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 1.13 0.00 0.00 0.99 0.00 0.00 94 R 8.65 4.10 0.00 1.85 1.98 0.00 3.47 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 95 S 7.78 4.42 0.00 3.94 3.84 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 96 G 8.65 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 97 K 8.41 4.94 0.00 1.83 1.76 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.43 7.81 98 V 8.04 4.66 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 0.93 0.00 0.00 0.94 0.00 0.00 99 T 8.74 5.09 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 1.25 0.00 0.00 100 A 9.03 5.08 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 0.00 101 R 9.01 5.09 0.00 2.03 1.79 0.00 2.87 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 102 A 9.12 5.53 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 0.00 103 T 9.39 5.16 4.34 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 1.41 0.00 0.00 104 P 0.00 3.52 0.00 1.45 0.58 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 105 I 7.86 4.18 1.92 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 1.07 0.57 0.85 0.00 0.00 106 N 7.35 4.53 0.00 2.64 2.52 0.00 0.00 6.97 6.66 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 0.00 107 L 8.64 4.81 0.00 1.44 1.55 0.80 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.58 4.11 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 0.00 0.00 0.00 109 R 8.44 4.14 0.00 1.82 2.02 0.00 3.16 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 110 N 8.19 4.96 0.00 2.72 2.81 0.00 0.00 6.92 7.45 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 0.00 111 I 7.50 5.23 1.88 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 1.36 1.00 0.99 0.00 0.00 112 Q 9.23 5.07 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 113 V 8.86 4.95 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 1.08 0.00 0.00 0.94 0.00 0.00 114 W 9.59 5.15 0.00 3.29 3.16 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 0.00 115 Q 9.34 5.08 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 116 I 9.20 5.08 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.96 0.00 0.00 117 D 8.89 5.34 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 9.01 5.03 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 1.31 0.75 0.93 0.00 0.00 119 R 8.95 5.22 0.00 1.82 1.98 0.00 2.73 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 120 T 8.56 4.87 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 0.00 121 E 8.83 3.96 0.00 2.10 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 2.34 0.00 122 E 8.16 4.33 0.00 1.98 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 2.29 2.27 0.00 123 N 7.97 4.26 0.00 2.84 2.88 0.00 0.00 6.84 7.17 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 0.00 124 K 7.57 4.35 0.00 1.77 1.72 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.54 7.81 125 L 8.55 4.50 0.00 1.58 1.59 0.99 0.92 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 0.00 126 C 9.09 4.79 0.00 3.14 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 0.00 127 C 7.77 5.19 0.00 3.04 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 0.00 128 V 8.55 4.94 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 0.74 0.00 0.00 0.93 0.00 0.00 129 S 9.18 5.09 0.00 3.85 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 0.00 130 R 8.88 5.17 0.00 1.95 1.73 0.00 3.10 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 131 L 9.28 5.23 0.00 1.81 1.60 1.02 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.97 5.15 4.46 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 1.25 0.00 0.00 133 L 9.29 5.27 0.00 1.65 1.59 0.93 0.60 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 0.00 134 S 8.95 5.08 0.00 3.89 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 0.00 135 V 8.65 4.75 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 0.89 0.00 0.00 0.96 0.00 0.00 136 I 8.60 4.64 1.88 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 0.55 0.92 0.00 0.00 137 N 8.29 5.06 0.00 2.75 2.90 0.00 0.00 5.93 7.79 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 0.00 138 L 7.93 4.11 0.00 1.60 1.51 0.92 0.82 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 * Residues marked with a * may have inaccurate shift predictions.