NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Y 4.4346 8.1444 121.6908 57.3543 39.9693 173.8621 7 E 4.2731 6.8622 125.8583 54.2607 31.5889 173.5088 8 Y 5.2689 8.8332 122.0881 55.9674 42.6329 176.3055 9 L 4.1761 9.1834 123.2757 57.6308 41.8890 177.2978 10 V 4.5056 7.2506 108.9275 59.3047 36.1854 171.8126 11 P 4.3766 0.0000 0.0000 61.9517 31.8704 175.9879 12 P 4.3125 0.0000 0.0000 66.4636 30.6309 178.3605 13 D 4.4090 8.0505 117.5542 56.8958 40.4145 178.3658 14 D 4.2679 8.1158 119.5160 57.4453 41.1357 177.8355 15 Y 4.3329 7.8360 116.5881 61.2672 37.9496 178.5448 16 L 4.1747 7.9401 118.9340 58.0751 41.5767 179.6344 17 A 4.0129 8.3100 119.2441 54.5235 18.3390 178.6325 18 A 4.3419 7.9523 117.4634 51.9750 19.5919 178.4327 19 G 3.8383 8.2071 105.8510 45.2372 0.0000 175.8040 20 V 3.8712 7.8458 114.0249 64.2412 31.8867 177.3143 21 H 4.5278 8.0967 113.5026 56.2423 29.1667 174.4016 22 I 4.3985 7.7218 122.5139 60.5367 37.1516 175.8130 23 G 4.1871 8.5610 116.7498 45.1915 0.0000 171.4948 24 T 4.6216 7.8967 111.5362 61.6747 71.5756 175.1906 25 Q 4.5724 8.9979 120.6065 56.5759 30.2231 176.2825 26 I 4.6674 7.6210 111.5608 59.2059 40.1508 174.5476 27 K 5.0761 8.2620 121.0623 54.2142 34.9544 175.4884 28 T 4.4356 7.9473 110.6691 59.8051 70.9656 175.0867 29 G 3.6875 8.4872 110.5445 48.8359 0.0000 176.1238 30 D 4.4133 7.9338 117.4498 54.3869 40.5891 177.5362 *32 K 4.3439 8.1743 121.2566 56.3631 33.8656 177.6720 33 K 4.1210 7.8160 114.6593 57.5818 32.9073 177.0233 34 F 4.9278 7.8121 118.8819 58.0315 41.2369 175.5262 35 I 4.4125 7.7436 120.4378 60.5673 35.6292 180.8325 36 F 4.2022 9.4177 130.9049 58.4655 39.0234 176.2412 37 K 4.3774 7.7182 121.8269 56.7256 38.2122 173.2116 38 V 4.5771 8.6126 118.6112 60.9989 33.9412 175.7162 39 R 4.4852 8.3529 128.8887 58.0283 30.7889 177.4817 40 Q 2.9811 7.1298 114.9246 56.5265 31.6629 177.6466 41 D 4.3326 7.9170 112.0501 53.8111 43.3017 177.7995 42 G 4.3596 9.1978 116.7867 44.7756 0.0000 173.8735 43 L 4.5511 7.3647 118.7931 54.7183 43.2125 176.1529 44 Y 4.6635 9.0765 120.8088 57.5246 39.5061 174.9174 45 V 4.7186 8.8258 123.6824 61.8697 33.8518 174.3280 46 L 4.9798 8.6457 126.7734 52.6206 43.4913 175.5916 47 D 4.5635 8.9189 123.7973 54.6435 41.2646 176.9320 48 I 3.6136 8.4940 128.8389 64.0031 37.0331 178.6802 49 R 3.6483 8.6855 119.7977 59.2183 30.0681 179.1657 50 K 4.0856 8.0923 117.3524 58.9363 32.0109 179.0652 51 L 3.9070 7.5298 121.3919 57.8412 42.1075 178.2619 52 D 4.4386 7.8844 117.8410 57.3513 41.1228 177.9655 53 E 4.0046 8.1669 118.8419 59.7963 29.5969 179.6717 54 R 3.6395 7.8679 117.3289 59.2815 30.0508 179.2837 55 I 3.7455 7.8253 119.7477 64.2578 37.1066 178.6576 56 R 3.8791 7.8398 118.5946 59.3659 30.0203 179.0945 57 V 3.5936 8.5312 118.6098 66.2424 31.4237 177.9462 58 A 4.0743 8.5647 120.3927 54.7056 17.9464 179.5481 59 A 3.9590 7.8329 118.9224 55.1809 18.8019 179.5336 60 K 4.3274 7.9867 119.4356 59.0055 32.1880 178.4859 61 F 4.1281 8.2684 120.9745 61.6966 39.2325 177.0795 62 L 4.3288 8.6761 117.9732 56.6040 41.5521 178.6434 63 S 4.3065 8.1121 113.8766 59.6318 63.0696 175.7274 64 R 4.0686 7.4752 121.1717 57.7641 30.5950 176.4987 65 Y 4.2629 7.1558 114.9606 56.5466 38.9729 175.0421 66 E 4.0095 8.9603 124.5406 56.2889 30.2988 175.5445 67 P 4.1295 0.0000 0.0000 66.1040 31.7608 177.9882 68 S 4.3226 8.0176 111.8570 60.1711 63.1440 174.7090 69 K 4.4020 8.6451 121.2098 56.4527 32.2808 175.2616 70 I 4.7585 7.9233 121.6385 59.3464 39.7748 174.2232 71 L 5.1855 8.9933 129.4237 53.3548 44.5020 174.8514 72 L 5.1399 9.4180 127.4828 53.5815 43.8547 175.8933 73 V 4.9668 8.9158 122.8256 61.1450 35.0761 174.4100 74 A 4.8458 8.7820 128.2288 51.5960 21.9311 176.6324 75 A 4.4111 8.7268 125.6362 53.0700 20.0048 177.8122 76 R 3.8405 7.9791 116.6712 56.8170 30.7687 176.2465 77 Q 3.5569 8.9831 126.3232 59.7719 28.7264 178.2466 78 Y 4.6289 7.7373 114.0285 59.9314 38.2768 177.1246 79 A 4.3279 8.1407 121.6801 53.4605 19.2646 178.8172 80 H 3.9087 7.9520 115.0906 58.9328 28.5983 177.4033 81 K 3.7374 7.8780 119.1851 59.0456 32.2493 176.7376 82 P 4.1455 0.0000 0.0000 65.3285 31.3916 178.0974 83 V 3.3078 7.0712 118.4260 65.5291 31.0916 178.2048 84 Q 3.1537 7.2641 114.3047 56.1655 28.0932 177.8311 *86 F 4.9986 7.9526 123.8238 58.5842 41.1812 177.2617 87 S 4.7159 8.1829 117.6487 60.6637 62.2166 177.1073 88 K 4.0132 7.5014 120.5246 59.2581 32.0665 179.1553 89 V 3.8565 7.6307 116.4284 66.3220 31.7314 177.8553 90 V 3.6488 7.9380 116.9311 63.7120 31.3577 177.0008 91 G 3.9712 8.1124 105.7369 44.8815 0.0000 173.3059 92 S 4.7226 7.7969 114.4829 58.0807 64.8499 172.7492 93 D 4.9474 9.4374 120.8894 54.0339 42.6166 174.5525 94 Y 5.5752 7.8450 119.8593 55.9822 41.5165 174.6366 95 I 4.5434 9.5766 121.4154 60.1329 40.3974 174.8271 96 V 4.4830 8.7478 120.0645 60.7503 33.6414 178.0220 97 G 3.7986 8.1943 109.3398 44.6264 0.0000 172.4505 98 R 4.0753 8.3975 120.4319 56.2569 30.6573 176.6309 99 F 4.4548 8.6946 127.5853 56.7289 39.7689 175.0099 100 I 3.8011 7.6858 129.6240 60.0838 37.2089 173.5516 101 P 4.5898 0.0000 0.0000 65.1575 31.1315 176.3187 102 G 4.1659 10.6038 113.5089 45.7284 0.0000 175.1197 103 T 4.0723 7.8650 117.3361 64.8909 68.5589 175.9818 104 L 4.8055 8.8248 119.0675 54.3469 43.1302 176.7612 105 T 4.6887 8.0395 107.0788 60.9523 69.7887 172.7943 106 N 4.9181 8.1383 120.2361 50.8048 39.5066 173.8112 107 P 2.9700 0.0000 0.0000 60.7857 30.4964 176.6393 *109 L 4.0445 7.6652 118.4844 55.9306 43.4865 176.1675 110 S 4.2090 8.5429 118.9140 61.8186 62.5398 175.9656 111 E 4.0713 8.0433 114.4262 57.0268 28.8641 176.4993 112 Y 4.4069 7.5187 120.8709 58.3008 39.2244 175.2837 113 R 4.1985 6.3649 119.1422 55.9296 32.4926 175.1222 114 E 4.4030 7.9836 116.9292 53.7639 29.8686 173.5052 115 P 4.5463 0.0000 0.0000 62.4960 32.5316 175.9435 116 E 4.8285 8.7702 117.3555 56.3699 31.1984 177.1487 117 V 4.4287 7.1750 117.6814 60.5201 34.7182 172.2797 118 V 4.8104 8.6994 124.1707 61.0655 34.2989 173.8657 119 F 5.6151 9.5576 130.6389 56.9808 41.3835 174.2589 120 V 4.7333 8.7098 120.1319 59.7011 33.7258 176.8706 121 N 4.3661 8.7046 122.0042 56.1964 39.9071 174.9983 122 D 4.4870 8.1978 116.4944 52.8139 43.9853 173.9554 123 P 4.3704 0.0000 0.0000 65.4981 31.5570 177.8626 124 A 4.1997 9.0276 121.4329 54.9946 18.9375 179.7497 125 I 3.7298 8.0012 114.8029 64.3707 37.4921 176.8733 126 D 4.7863 8.5194 119.5524 54.0131 40.9305 178.4426 127 K 3.8866 7.6240 122.7667 60.3275 32.0159 178.4090 128 Q 3.8826 7.9451 119.9833 59.0546 29.0446 177.7735 129 A 3.3851 7.4070 121.8022 54.8083 18.2180 179.8369 130 V 3.4691 7.4655 116.2854 66.0865 31.7057 178.2680 131 S 4.1045 8.1945 115.0349 61.7413 62.7305 176.6017 132 E 3.9995 8.3055 120.9462 59.1799 29.1959 179.0596 133 A 4.0161 8.2849 121.1997 55.8122 18.4050 179.7797 134 T 3.8331 8.3866 114.1646 66.6717 68.2114 176.5708 135 A 4.0277 7.8129 121.8183 55.3931 18.6747 179.7212 136 V 3.8998 7.8160 108.0221 61.6545 32.1182 176.4608 137 G 3.7896 7.7796 106.1024 46.5370 0.0000 173.3854 138 I 4.5493 7.3493 119.2803 58.4030 39.2281 175.0528 139 P 4.6562 0.0000 0.0000 62.7778 33.0148 175.3166 140 V 4.7494 9.7143 123.2945 61.2690 34.1277 174.2229 141 V 4.7726 9.1381 128.5659 61.2939 33.4429 174.3856 142 A 5.6354 8.7040 128.1022 49.7486 23.1141 174.7917 143 L 4.6283 8.5823 120.8983 54.5033 42.7792 176.1599 144 C 4.9919 8.7493 121.5845 57.9709 31.3861 173.5121 145 D 5.1419 9.1399 123.4074 51.9135 42.8073 177.0643 146 S 4.0643 8.8432 115.9117 61.4165 62.5979 175.7362 147 N 4.7048 7.8971 114.3321 52.5605 37.6706 174.4513 148 N 4.7534 8.3369 117.3771 52.2835 40.0560 174.1650 149 S 4.7325 8.3843 115.7462 56.8892 64.0076 174.5740 150 S 4.7931 8.2906 122.4163 57.8714 63.4995 175.4955 151 A 4.1064 7.8482 125.8393 56.1909 18.3816 179.3122 152 D 4.8109 7.9904 112.1597 53.9445 41.4347 175.9080 153 V 4.1513 7.5569 119.7441 61.4527 31.8423 175.3465 154 D 4.5084 8.7096 128.7788 56.5208 41.7280 176.5770 155 L 4.4298 7.5928 119.8437 53.2151 45.0007 175.2655 156 V 4.4244 8.3992 126.8070 61.8761 33.0746 175.3561 157 I 4.2032 8.3521 129.3070 58.4805 38.8045 172.8624 158 P 4.5083 0.0000 0.0000 63.6340 31.3303 175.4095 159 T 4.5019 8.2728 118.2182 60.7517 71.7334 171.7233 160 N 4.6442 8.7956 124.8694 53.3668 39.1763 174.2454 161 N 5.0371 8.4508 123.3792 52.6014 37.8409 175.4481 162 K 4.4448 8.3694 119.5718 58.2778 34.4023 178.0904 163 G 3.8056 8.6789 105.8306 44.4293 0.0000 174.4560 164 R 3.5291 8.2641 123.6766 59.2449 30.2260 179.0872 165 R 3.8667 7.8021 117.7330 58.9547 30.2794 178.0478 166 A 4.0626 7.9245 120.3739 55.2441 18.0812 179.4560 167 L 4.2501 8.2374 116.9363 57.2956 41.6643 179.7275 168 A 4.2301 7.7311 121.4197 55.1921 18.4850 179.4916 169 I 3.7470 7.9255 117.1972 64.1771 38.0896 178.1312 170 V 3.6986 7.8607 118.6760 66.4800 31.4291 177.5205 171 Y 4.2144 7.9010 115.1764 60.8704 37.6598 178.2363 172 W 3.5744 8.4635 129.1516 60.5073 30.6527 177.5266 173 L 3.3865 8.7560 118.7559 57.8829 41.1994 179.3444 174 L 3.9510 7.9702 118.1920 58.2659 41.7433 179.8119 175 A 3.7392 8.2785 120.2179 54.8819 18.2024 179.5722 176 R 2.0000 7.3280 117.4883 58.9274 29.9836 178.2846 177 E 3.7651 7.9290 118.5174 59.6583 29.5098 179.7634 178 I 3.5924 7.5904 119.1588 64.3153 37.1434 178.3171 179 A 3.9515 7.6841 121.5365 54.9181 18.0499 179.6147 180 K 3.7646 8.0924 117.3456 59.8893 31.9755 179.2633 181 I 3.6454 7.5386 118.4900 64.7407 37.1794 178.2739 182 R 4.1877 7.9355 116.6605 56.4188 30.0782 177.1279 183 G 3.8506 8.0525 106.8160 46.4816 0.0000 173.6544 184 Q 4.2582 8.1656 118.3446 54.2628 29.6840 175.6885 185 D 4.2896 8.6639 120.9921 54.5498 41.0314 175.4618 186 F 4.7900 8.8060 130.0525 56.8432 40.2461 174.6781 187 T 4.3192 7.5977 116.9181 61.2684 70.1574 173.8944 188 Y 4.2852 6.7546 119.6849 58.1070 38.7361 174.7698 189 S 4.9728 9.5428 115.1739 55.6913 66.6035 175.0980 190 I 2.8698 7.2631 121.6062 64.7750 36.3874 178.3676 191 E 3.9945 7.2365 117.4213 59.3361 29.2399 178.8934 192 D 4.5831 8.5096 118.8865 57.1709 40.9775 178.1538 193 F 4.2100 8.2663 116.6464 58.3567 39.6703 175.9271 194 E 3.9843 7.4702 118.7652 56.1037 30.0016 176.1573 195 A 4.3778 8.0634 127.0047 50.8206 19.9515 176.7711 196 E 4.1668 8.4968 120.5997 56.3505 30.5040 177.0636 197 L 4.4095 8.2538 120.2828 54.8425 42.0530 176.7331 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 6 Y 8.14 4.43 0.00 2.90 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 7 E 6.86 4.27 0.00 2.04 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 2.22 1.96 0.00 8 Y 8.83 5.27 0.00 3.29 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 9 L 9.18 4.18 0.00 1.76 1.77 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.25 4.51 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 0.81 0.00 0.00 0.66 0.00 0.00 11 P 0.00 4.38 0.00 2.34 1.97 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 12 P 0.00 4.31 0.00 1.98 1.25 0.00 3.62 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.81 0.00 13 D 8.05 4.41 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.12 4.27 0.00 2.61 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 15 Y 7.84 4.33 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.17 0.00 1.87 1.73 0.85 0.24 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 17 A 8.31 4.01 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 18 A 7.95 4.34 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 19 G 8.21 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 0.00 0.00 0.00 20 V 7.85 3.87 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 0.90 0.00 0.00 1.17 0.00 0.00 21 H 8.10 4.53 0.00 3.47 3.57 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.72 4.40 1.81 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 1.09 0.18 0.91 0.00 0.00 23 G 8.56 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 24 T 7.90 4.62 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 1.33 0.00 0.00 25 Q 9.00 4.57 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 26 I 7.62 4.67 1.84 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 1.36 0.75 0.95 0.00 0.00 27 K 8.26 5.08 0.00 1.42 0.74 0.00 1.11 0.00 0.00 2.51 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.92 1.15 7.81 28 T 7.95 4.44 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 1.19 0.00 0.00 29 G 8.49 3.69 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 0.00 0.00 0.00 30 D 7.93 4.41 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 K 8.17 4.34 0.00 1.87 1.86 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.53 1.48 7.81 33 K 7.82 4.12 0.00 1.45 1.63 0.00 0.88 0.00 0.00 1.25 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.90 0.21 7.81 34 F 7.81 4.93 0.00 3.17 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 35 I 7.74 4.41 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 1.23 0.62 0.91 0.00 0.00 36 F 9.42 4.20 0.00 3.12 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 37 K 7.72 4.38 0.00 2.23 1.61 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.47 7.81 38 V 8.61 4.58 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 0.77 0.00 0.00 0.67 0.00 0.00 39 R 8.35 4.49 0.00 1.78 1.76 0.00 3.36 0.00 0.00 3.16 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 40 Q 7.13 2.98 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 41 D 7.92 4.33 0.00 2.69 2.39 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 42 G 9.20 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 43 L 7.36 4.55 0.00 1.63 1.79 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 9.08 4.66 0.00 2.97 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 45 V 8.83 4.72 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 1.12 0.00 0.00 0.96 0.00 0.00 46 L 8.65 4.98 0.00 1.55 1.61 1.05 1.11 0.00 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0.00 2.06 2.10 0.00 3.89 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 124 A 9.03 4.20 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 0.00 125 I 8.00 3.73 1.86 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 1.52 0.84 0.91 0.00 0.00 126 D 8.52 4.79 0.00 2.69 2.48 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 0.00 127 K 7.62 3.89 0.00 2.00 2.32 0.00 1.19 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.53 7.81 128 Q 7.95 3.88 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.66 2.71 0.00 129 A 7.41 3.39 0.49 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 0.00 130 V 7.47 3.47 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 1.03 0.00 0.00 0.87 0.00 0.00 131 S 8.19 4.10 0.00 4.04 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 0.00 132 E 8.31 4.00 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 2.42 2.53 0.00 133 A 8.28 4.02 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 0.00 134 T 8.39 3.83 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 1.22 0.00 0.00 135 A 7.81 4.03 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 0.00 136 V 7.82 3.90 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 0.94 0.00 0.00 1.06 0.00 0.00 137 G 7.78 3.79 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 0.00 0.00 0.00 138 I 7.35 4.55 1.89 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 1.25 0.69 0.92 0.00 0.00 139 P 0.00 4.66 0.00 2.27 2.17 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 140 V 9.71 4.75 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 0.94 0.00 0.00 0.98 0.00 0.00 141 V 9.14 4.77 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 0.55 0.00 0.00 0.86 0.00 0.00 142 A 8.70 5.64 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.58 4.63 0.00 1.71 1.57 0.63 0.84 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 0.00 144 C 8.75 4.99 0.00 2.75 2.75 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 0.00 0.00 0.00 145 D 9.14 5.14 0.00 2.95 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 0.00 146 S 8.84 4.06 0.00 3.87 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 N 7.90 4.70 0.00 2.83 2.94 0.00 0.00 6.38 8.04 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 0.00 148 N 8.34 4.75 0.00 2.96 2.76 0.00 0.00 6.77 8.18 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 0.00 149 S 8.38 4.73 0.00 3.80 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 0.00 150 S 8.29 4.79 0.00 4.02 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 0.00 151 A 7.85 4.11 1.29 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 0.00 0.00 0.00 152 D 7.99 4.81 0.00 2.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.56 4.15 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 0.86 0.00 0.00 0.92 0.00 0.00 154 D 8.71 4.51 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 7.59 4.43 0.00 1.22 1.18 0.41 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.40 4.42 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 0.57 0.00 0.00 0.96 0.00 0.00 157 I 8.35 4.20 1.81 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 1.15 0.75 0.84 0.00 0.00 158 P 0.00 4.51 0.00 1.78 0.82 0.00 3.47 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.28 0.00 159 T 8.27 4.50 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 1.24 0.00 0.00 160 N 8.80 4.64 0.00 2.98 2.76 0.00 0.00 7.02 7.95 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 0.00 161 N 8.45 5.04 0.00 3.10 2.85 0.00 0.00 6.90 7.01 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 0.00 162 K 8.37 4.44 0.00 1.90 1.92 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.42 7.81 163 G 8.68 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 0.00 164 R 8.26 3.53 0.00 0.67 1.46 0.00 3.12 0.00 0.00 2.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.96 0.00 165 R 7.80 3.87 0.00 1.89 1.86 0.00 3.21 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 166 A 7.92 4.06 1.46 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 0.00 0.00 0.00 167 L 8.24 4.25 0.00 1.88 1.98 1.10 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 168 A 7.73 4.23 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 0.00 169 I 7.93 3.75 1.86 0.00 0.00 0.67 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 0.86 1.13 0.00 0.00 170 V 7.86 3.70 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 0.94 0.00 0.00 1.08 0.00 0.00 171 Y 7.90 4.21 0.00 3.52 3.41 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 0.00 172 W 8.46 3.57 0.00 3.37 3.39 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 0.00 173 L 8.76 3.39 0.00 1.93 1.71 1.07 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 174 L 7.97 3.95 0.00 2.22 2.06 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.28 3.74 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 0.00 176 R 7.33 2.00 0.00 0.67 1.19 0.00 2.93 0.00 0.00 2.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.59 0.00 177 E 7.93 3.77 0.00 2.00 1.91 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 2.28 2.44 0.00 178 I 7.59 3.59 1.85 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 1.61 1.04 0.83 0.00 0.00 179 A 7.68 3.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 K 8.09 3.76 0.00 1.76 1.80 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.35 7.81 181 I 7.54 3.65 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.66 0.88 0.00 0.00 182 R 7.94 4.19 0.00 1.90 1.97 0.00 3.22 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 183 G 8.05 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 0.00 0.00 0.00 184 Q 8.17 4.26 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 185 D 8.66 4.29 0.00 2.63 2.63 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 0.00 186 F 8.81 4.79 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 T 7.60 4.32 4.05 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 0.00 0.00 0.00 1.15 0.00 0.00 188 Y 6.75 4.29 0.00 2.85 3.13 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 0.00 0.00 0.00 0.00 189 S 9.54 4.97 0.00 3.78 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 I 7.26 2.87 1.36 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 -0.36 0.66 0.00 0.00 191 E 7.24 3.99 0.00 1.88 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 2.29 2.33 0.00 192 D 8.51 4.58 0.00 3.11 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 0.00 193 F 8.27 4.21 0.00 3.17 3.26 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 0.00 194 E 7.47 3.98 0.00 2.09 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 195 A 8.06 4.38 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 0.00 196 E 8.50 4.17 0.00 1.95 1.91 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 2.31 2.34 0.00 197 L 8.25 4.41 0.00 1.66 1.55 0.91 0.85 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 * Residues marked with a * may have inaccurate shift predictions.