NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 G 3.8569 8.3549 108.0177 46.1465 0.0000 172.6756 16 L 4.6728 8.8236 120.5562 52.7057 43.2774 175.7589 17 F 5.0676 9.8862 121.4499 55.0321 43.0012 176.1075 18 L 4.0033 8.5240 123.0027 58.7486 41.6445 179.2692 19 E 4.1112 8.2462 115.6274 59.1562 29.4815 177.5126 20 D 4.6403 8.1699 116.7487 55.0634 41.2997 176.2635 21 L 4.6743 7.7384 119.4784 53.4206 43.3747 175.8883 22 A 4.6856 8.4146 123.6991 50.0532 22.3634 176.1282 23 V 3.9540 8.3105 121.2321 64.7233 31.9312 176.1475 24 G 4.0300 9.2357 115.8080 45.2124 0.0000 173.7184 25 D 4.3364 8.0039 120.0907 54.6457 41.7714 175.7034 26 R 5.0175 7.9161 121.7681 54.5259 33.3792 174.3706 27 F 5.0172 9.0418 122.1893 55.8880 43.5810 173.2755 28 D 5.5495 8.9315 121.4799 52.7081 43.4705 176.0803 29 S 4.8918 8.4694 117.4428 56.8701 65.6138 173.0117 30 A 4.4265 8.7025 122.9221 51.8167 19.5118 176.8594 31 R 4.9062 8.3727 116.3253 55.4252 32.8672 176.2276 32 H 4.7501 8.9185 120.5912 54.8859 33.3051 172.0733 33 R 4.6136 8.5211 126.8012 55.6903 31.1526 175.2873 34 V 4.2400 8.6755 126.9552 61.5745 33.3451 174.3744 35 E 4.8981 8.6271 126.7773 54.5847 32.1657 176.7606 36 A 3.9587 8.8912 124.1636 55.6438 18.3221 179.9567 37 A 3.9459 8.1137 118.1919 55.5651 18.4118 179.6373 38 A 4.0708 7.9996 118.5296 55.0686 18.5186 179.8028 39 I 3.7493 7.6598 118.2934 64.7004 37.2359 178.8609 40 K 4.1805 8.2220 119.0730 59.1845 31.4105 179.4087 41 A 3.9623 8.0752 121.2841 55.1448 18.2795 179.5202 42 F 3.9882 8.2955 119.0366 61.1135 39.3482 177.1763 43 A 4.2017 8.3921 120.6557 55.3601 18.0548 179.8364 44 G 3.4888 8.2646 103.0588 47.5962 0.0000 174.7518 45 E 3.8234 7.2070 118.9252 57.3357 29.9646 176.7126 46 F 4.8013 7.8461 114.2190 57.0525 41.6048 175.0041 47 D 4.8220 8.0869 119.7424 52.5995 41.8734 174.8951 48 P 4.6074 0.0000 0.0000 62.5584 30.0925 176.5091 49 Q 4.4349 7.3299 120.0686 53.7123 32.1574 175.1532 50 P 4.1108 0.0000 0.0000 65.7791 31.0893 178.4086 51 F 4.4581 7.2171 111.0697 58.7524 37.8986 175.6283 52 H 5.1539 7.9686 117.0208 54.9395 29.8939 174.7879 53 L 4.5127 7.7834 118.0492 54.9184 43.9213 176.0984 54 D 4.8934 8.3273 118.7502 51.8160 43.2155 176.0065 55 E 3.9671 9.0704 126.6257 59.4896 29.8203 178.6412 56 E 4.0041 8.1783 118.3920 59.3726 29.7631 178.4812 57 A 3.9423 8.8273 120.9082 55.1956 18.4015 179.4460 58 A 4.1432 8.6450 119.5413 55.2147 18.1597 179.7386 59 R 3.9083 7.6992 116.7725 59.4575 30.1995 177.4874 60 H 4.8137 7.7039 113.1433 55.3474 29.7232 175.2413 61 S 4.6260 7.7360 117.2454 56.5854 64.5995 174.7430 62 L 3.9066 8.0766 121.2275 57.7273 41.6764 177.9001 63 F 4.2109 8.2853 117.5065 58.2915 39.0519 177.1808 64 G 3.9463 8.0983 106.9070 44.5251 0.0000 173.4019 65 G 4.1870 7.0090 110.5298 44.2842 0.0000 172.3774 66 L 4.1109 8.1574 121.6241 55.7286 42.5274 176.0800 67 A 4.8679 8.3342 124.8232 50.0087 22.8738 175.1946 68 A 4.3538 8.7176 122.1641 51.1263 19.7595 177.9165 69 S 3.7637 8.4081 114.4313 57.6748 63.4398 175.7350 70 G 2.2686 7.9748 112.9728 47.1086 0.0000 175.7331 71 W 4.5450 7.6398 120.1386 58.9471 29.1084 178.1931 72 H 2.7876 7.8963 118.9591 59.0259 29.2842 177.2854 73 T 3.8610 7.6311 116.7126 66.4667 67.9937 176.3212 74 A 4.2378 8.1177 123.3078 54.3491 18.5232 179.2708 75 A 4.1366 7.7097 118.5680 55.3944 18.7924 179.6151 76 I 3.7829 8.0848 118.7713 64.5947 37.1231 179.6780 77 T 3.7218 7.8760 114.5658 63.9067 68.0716 176.2661 *79 R 4.2404 7.9719 122.9841 56.4360 32.0418 177.4789 80 L 4.0111 7.8424 117.6894 57.5723 41.4507 179.5529 81 L 3.9616 8.0145 118.9529 57.7509 41.4057 179.5749 82 V 3.5162 7.6423 116.0536 66.5485 31.6019 177.7639 83 T 4.1167 8.0207 114.5416 66.3716 68.4239 175.8105 84 S 4.5946 8.5065 110.0362 58.6375 67.2029 175.0561 85 G 3.8334 7.9068 109.4578 46.8966 0.0000 173.9319 86 L 3.9730 7.5058 121.6769 52.2641 43.2921 174.4397 87 P 4.5308 0.0000 0.0000 62.1724 29.1736 175.7952 88 L 4.5154 7.3316 121.3340 54.1882 42.9580 179.4295 89 A 3.7072 8.3451 128.1006 55.0024 18.3342 178.0362 90 Q 4.2237 7.7369 111.7788 55.5559 28.8629 176.2267 91 G 3.8314 7.8915 105.2067 45.0395 0.0000 172.8893 92 I 4.3130 7.8866 118.8118 59.6793 38.8168 176.2063 93 I 4.3655 8.3849 128.6535 59.2801 39.2061 174.7657 94 G 4.1832 8.6203 113.8699 45.5770 0.0000 171.5734 95 A 4.4964 9.1207 126.1175 51.9040 20.1458 177.1696 96 G 4.0972 7.3723 102.5825 47.1927 0.0000 171.5073 97 T 4.9653 8.1378 112.1919 61.0256 70.4483 172.0249 98 E 4.4490 8.7872 128.3715 54.9895 30.9034 174.6263 99 L 5.0229 8.2887 126.8823 52.9412 44.4217 176.0154 100 S 4.1801 8.0521 115.7579 56.7074 66.8666 172.9334 101 W 4.9886 8.2757 120.3876 52.7901 28.6884 173.0083 102 P 4.4261 0.0000 0.0000 64.8327 31.2832 176.6753 103 N 5.2257 7.8478 112.5627 50.5316 42.6077 172.8791 104 P 4.5035 0.0000 0.0000 63.0617 32.7661 175.7670 105 T 4.5641 8.3722 119.0142 62.5135 70.2306 174.3523 106 R 4.8584 9.6216 126.0303 53.0877 32.9012 173.9019 107 P 4.6305 0.0000 0.0000 64.4530 31.6677 176.7896 108 G 3.9947 9.4859 111.1869 45.1738 0.0000 173.6371 109 D 4.6797 8.0156 120.3476 54.5035 42.4747 175.3279 110 E 4.9213 10.5732 123.4064 54.9022 31.6268 174.8826 111 L 5.8263 9.1394 125.7105 52.8044 44.1982 175.6181 112 H 5.3907 8.4878 116.5922 54.0760 32.7900 171.8159 113 V 4.7744 8.9384 119.8638 61.2280 34.2138 174.0265 114 E 5.0086 9.1416 127.4695 55.0848 31.7999 174.9456 115 T 5.2975 8.9394 121.6990 62.0567 71.8722 173.5986 116 T 5.0763 8.8515 121.5756 61.6659 73.0690 173.3103 117 V 4.2239 8.6704 126.2948 62.9340 31.8192 176.2518 118 L 4.6655 9.0752 128.6590 56.4205 42.8947 176.7677 119 A 4.5573 7.4731 117.3676 51.1202 22.6327 175.5316 120 I 4.7583 8.3345 119.6263 60.1464 40.6215 175.5932 121 T 4.4818 8.9587 125.2309 60.5369 70.0780 171.9295 122 P 4.6994 0.0000 0.0000 62.3415 32.2962 176.3079 123 S 4.2922 8.6010 117.9340 58.0623 63.1441 174.6652 124 K 4.1429 8.6671 127.1575 59.5327 32.0790 178.7020 125 S 4.3971 7.9129 110.6220 59.8913 63.8588 174.6280 126 R 4.5553 7.5592 120.0808 53.5966 30.5430 173.7178 127 P 4.4719 0.0000 0.0000 63.8115 31.7999 176.9490 128 D 4.6856 7.9851 117.9648 53.9767 40.2229 175.5485 129 R 4.9413 7.7180 115.6341 54.7463 33.4373 173.7227 130 A 4.9937 8.6415 120.2894 50.3746 23.4383 175.0553 131 I 4.5478 8.4975 120.9907 60.1968 38.9690 175.0868 132 V 4.6978 8.8224 128.1542 61.4366 33.9364 174.4670 133 T 4.9146 8.7464 125.2413 62.7849 69.9355 173.4810 134 C 5.2298 9.1510 125.4835 57.9172 31.1472 172.9059 135 Q 4.7319 9.1023 126.5368 55.0095 30.2987 174.2439 136 S 5.1191 9.0641 123.5243 56.9078 65.6436 172.7912 137 D 5.1843 9.1007 125.6520 52.9589 42.9261 175.5869 138 T 4.7379 9.0652 121.9682 62.3974 70.0495 174.0968 139 L 5.3259 8.7309 127.1378 52.9183 45.2242 176.1492 140 N 5.6215 8.8138 120.0073 50.5233 39.7989 175.7350 141 Q 4.0669 8.8216 116.1774 58.3907 28.4517 177.2323 142 R 4.2293 8.5173 117.1243 56.0602 30.5537 177.2534 143 G 3.9410 8.5928 106.8743 45.3989 0.0000 173.3122 144 E 4.3503 7.9043 119.1700 54.7658 30.7763 175.7152 145 V 4.2328 8.2034 122.7027 62.9828 31.5833 176.6007 146 V 4.3366 9.0473 121.2017 61.9525 32.7723 175.7811 147 Q 4.7188 7.6553 119.9520 54.8497 32.6908 172.6443 148 R 4.8449 8.7559 126.2840 54.5092 33.3190 173.8726 149 S 4.7596 9.1439 121.2692 57.0676 65.1699 172.8318 150 T 4.6729 8.8055 126.1199 62.3075 68.3297 173.5832 151 A 5.0661 8.9100 128.4944 50.4509 21.6719 175.8067 152 K 4.8898 8.8801 120.8665 55.0147 34.1170 176.1131 153 V 4.8593 8.8973 118.6782 59.3209 35.5195 175.2564 154 V 4.3323 8.6913 125.1187 62.4205 31.9964 175.3579 155 V 4.4974 8.5247 128.6357 61.1809 33.9328 174.7398 156 F 4.9534 8.9293 126.0172 56.2724 41.0535 175.6297 157 R 4.3961 9.2090 120.8132 55.8596 30.9423 176.8553 158 R 3.2490 8.5656 121.9551 55.2329 30.2795 174.9256 159 P 4.3032 0.0000 0.0000 62.6054 31.6732 176.0312 160 L 3.9414 8.4490 123.2542 55.4709 42.0718 177.7885 161 E 4.1353 8.6886 118.4224 56.1989 29.6457 173.5612 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 15 G 8.35 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 16 L 8.82 4.67 0.00 1.76 1.56 0.96 0.97 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 17 F 9.89 5.07 0.00 3.10 3.07 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 18 L 8.52 4.00 0.00 1.84 1.77 0.92 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.25 4.11 0.00 2.03 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 0.00 2.33 2.43 0.00 20 D 8.17 4.64 0.00 2.86 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 21 L 7.74 4.67 0.00 1.78 1.65 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.41 4.69 1.20 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 23 V 8.31 3.95 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 0.80 0.00 0.00 0.93 0.00 0.00 24 G 9.24 4.03 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 0.00 25 D 8.00 4.34 0.00 2.77 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 0.00 0.00 0.00 0.00 26 R 7.92 5.02 0.00 1.63 1.56 0.00 3.14 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.72 0.00 27 F 9.04 5.02 0.00 3.16 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 28 D 8.93 5.55 0.00 2.56 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 29 S 8.47 4.89 0.00 3.91 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 30 A 8.70 4.43 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 31 R 8.37 4.91 0.00 1.71 1.87 0.00 3.18 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 32 H 8.92 4.75 0.00 3.22 3.11 0.00 5.77 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 33 R 8.52 4.61 0.00 1.82 1.74 0.00 3.25 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 34 V 8.68 4.24 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 0.88 0.00 0.00 0.92 0.00 0.00 35 E 8.63 4.90 0.00 1.93 1.82 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 2.29 2.23 0.00 36 A 8.89 3.96 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 37 A 8.11 3.95 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 38 A 8.00 4.07 1.45 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 39 I 7.66 3.75 2.10 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 1.57 0.91 1.01 0.00 0.00 40 K 8.22 4.18 0.00 1.82 1.86 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.72 7.81 41 A 8.08 3.96 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 F 8.30 3.99 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 43 A 8.39 4.20 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 44 G 8.26 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.21 3.82 0.00 1.58 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 1.47 1.62 0.00 46 F 7.85 4.80 0.00 2.28 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 47 D 8.09 4.82 0.00 2.85 2.71 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 48 P 0.00 4.61 0.00 2.15 2.01 0.00 3.76 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 49 Q 7.33 4.43 0.00 1.54 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.83 0.00 0.00 0.00 0.00 0.00 2.19 2.44 0.00 50 P 0.00 4.11 0.00 2.09 2.07 0.00 3.10 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 2.03 2.00 0.00 51 F 7.22 4.46 0.00 3.14 3.40 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 52 H 7.97 5.15 0.00 3.18 3.35 0.00 5.57 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 53 L 7.78 4.51 0.00 1.54 1.64 0.85 0.95 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 54 D 8.33 4.89 0.00 2.65 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 55 E 9.07 3.97 0.00 1.96 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 2.32 2.44 0.00 56 E 8.18 4.00 0.00 2.02 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 2.32 2.37 0.00 57 A 8.83 3.94 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 58 A 8.65 4.14 1.53 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 59 R 7.70 3.91 0.00 1.99 1.99 0.00 3.27 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 60 H 7.70 4.81 0.00 3.16 3.33 0.00 5.72 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.74 4.63 0.00 4.07 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 0.00 62 L 8.08 3.91 0.00 1.31 1.15 0.80 0.44 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 63 F 8.29 4.21 0.00 3.09 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 64 G 8.10 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 65 G 7.01 4.19 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 0.00 66 L 8.16 4.11 0.00 1.67 1.60 0.92 0.97 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 67 A 8.33 4.87 0.63 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 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.72 4.35 1.16 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 69 S 8.41 3.76 0.00 3.82 3.78 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 70 G 7.97 2.27 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 71 W 7.64 4.55 0.00 3.66 3.40 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 72 H 7.90 2.79 0.00 2.33 3.07 0.00 5.61 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 73 T 7.63 3.86 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 1.26 0.00 0.00 74 A 8.12 4.24 1.63 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 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.71 4.14 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 76 I 8.08 3.78 1.89 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.56 0.77 0.00 0.00 77 T 7.88 3.72 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 1.20 0.00 0.00 *79 R 7.97 4.24 0.00 1.86 2.06 0.00 3.17 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 80 L 7.84 4.01 0.00 1.89 1.71 0.93 0.75 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 81 L 8.01 3.96 0.00 1.68 1.68 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.64 3.52 2.19 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 0.85 0.00 0.00 0.92 0.00 0.00 83 T 8.02 4.12 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 1.21 0.00 0.00 84 S 8.51 4.59 0.00 3.90 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 85 G 7.91 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 0.00 0.00 0.00 86 L 7.51 3.97 0.00 1.49 1.41 0.56 0.99 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 87 P 0.00 4.53 0.00 2.03 2.10 0.00 2.66 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 88 L 7.33 4.52 0.00 1.53 1.61 0.77 0.73 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 89 A 8.35 3.71 0.39 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 90 Q 7.74 4.22 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.50 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 91 G 7.89 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 0.00 0.00 0.00 92 I 7.89 4.31 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 1.28 0.63 0.89 0.00 0.00 93 I 8.38 4.37 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.85 0.96 0.00 0.00 94 G 8.62 4.18 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 0.00 95 A 9.12 4.50 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 96 G 7.37 4.10 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 0.00 0.00 0.00 97 T 8.14 4.97 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 1.23 0.00 0.00 98 E 8.79 4.45 0.00 2.10 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 2.19 2.23 0.00 99 L 8.29 5.02 0.00 1.16 0.51 0.81 0.47 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 0.00 100 S 8.05 4.18 0.00 3.71 3.70 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 0.00 101 W 8.28 4.99 0.00 3.29 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 0.00 102 P 0.00 4.43 0.00 2.21 2.12 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 103 N 7.85 5.23 0.00 2.81 2.68 0.00 0.00 7.04 7.91 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 0.00 104 P 0.00 4.50 0.00 2.05 2.22 0.00 3.73 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 2.18 2.32 0.00 105 T 8.37 4.56 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 1.16 0.00 0.00 106 R 9.62 4.86 0.00 2.01 1.80 0.00 3.31 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 107 P 0.00 4.63 0.00 2.17 2.10 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 108 G 9.49 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 0.00 109 D 8.02 4.68 0.00 2.74 2.60 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 0.00 110 E 10.57 4.92 0.00 1.75 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 2.25 0.00 111 L 9.14 5.83 0.00 1.60 1.56 0.90 0.94 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 0.00 112 H 8.49 5.39 0.00 3.15 3.33 0.00 5.41 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.94 4.77 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 0.96 0.00 0.00 0.93 0.00 0.00 114 E 9.14 5.01 0.00 1.92 1.85 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 2.30 2.24 0.00 115 T 8.94 5.30 4.43 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 1.33 0.00 0.00 116 T 8.85 5.08 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 1.22 0.00 0.00 117 V 8.67 4.22 2.27 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 0.81 0.00 0.00 1.11 0.00 0.00 118 L 9.08 4.67 0.00 1.51 1.69 0.93 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 0.00 119 A 7.47 4.56 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 0.00 120 I 8.33 4.76 1.87 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 0.72 0.91 0.00 0.00 121 T 8.96 4.48 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 1.20 0.00 0.00 122 P 0.00 4.70 0.00 1.91 1.96 0.00 3.66 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 2.02 2.08 0.00 123 S 8.60 4.29 0.00 3.73 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 0.00 124 K 8.67 4.14 0.00 1.76 1.84 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.48 7.81 125 S 7.91 4.40 0.00 3.98 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 0.00 126 R 7.56 4.56 0.00 1.78 2.01 0.00 3.17 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 127 P 0.00 4.47 0.00 2.04 2.10 0.00 3.68 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 2.03 2.21 0.00 128 D 7.99 4.69 0.00 3.03 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 0.00 129 R 7.72 4.94 0.00 1.02 0.71 0.00 2.54 0.00 0.00 2.70 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.26 0.00 130 A 8.64 4.99 1.16 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 0.00 131 I 8.50 4.55 1.84 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 1.06 0.97 0.89 0.00 0.00 132 V 8.82 4.70 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 0.91 0.00 0.00 0.93 0.00 0.00 133 T 8.75 4.91 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 1.20 0.00 0.00 134 C 9.15 5.23 0.00 2.81 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 0.00 135 Q 9.10 4.73 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 136 S 9.06 5.12 0.00 3.74 3.72 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 0.00 137 D 9.10 5.18 0.00 2.60 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 0.00 138 T 9.07 4.74 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 1.19 0.00 0.00 139 L 8.73 5.33 0.00 1.39 1.49 0.98 0.51 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 0.00 140 N 8.81 5.62 0.00 2.86 2.97 0.00 0.00 6.62 6.76 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 0.00 141 Q 8.82 4.07 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 142 R 8.52 4.23 0.00 2.01 2.01 0.00 3.38 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 143 G 8.59 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 0.00 144 E 7.90 4.35 0.00 2.05 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 0.00 2.36 2.29 0.00 145 V 8.20 4.23 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 0.99 0.00 0.00 0.91 0.00 0.00 146 V 9.05 4.34 2.13 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 1.09 0.00 0.00 0.97 0.00 0.00 147 Q 7.66 4.72 0.00 2.21 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.86 0.00 0.00 0.00 0.00 0.00 2.14 1.97 0.00 148 R 8.76 4.84 0.00 1.76 1.56 0.00 3.01 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.45 0.00 149 S 9.14 4.76 0.00 3.74 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 0.00 150 T 8.81 4.67 4.19 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 1.18 0.00 0.00 151 A 8.91 5.07 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 0.00 152 K 8.88 4.89 0.00 1.66 1.73 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.54 7.81 153 V 8.90 4.86 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 0.68 0.00 0.00 0.94 0.00 0.00 154 V 8.69 4.33 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 0.59 0.00 0.00 0.93 0.00 0.00 155 V 8.52 4.50 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 1.04 0.00 0.00 0.92 0.00 0.00 156 F 8.93 4.95 0.00 3.16 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 0.00 157 R 9.21 4.40 0.00 1.81 1.90 0.00 3.42 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 158 R 8.57 3.25 0.00 1.22 1.53 0.00 3.02 0.00 0.00 2.98 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 159 P 0.00 4.30 0.00 2.17 2.03 0.00 3.32 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 1.87 2.01 0.00 160 L 8.45 3.94 0.00 1.62 1.64 0.89 0.87 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 0.00 161 E 8.69 4.14 0.00 1.99 1.72 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 2.23 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.