NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4137 8.4045 118.1915 54.4680 32.8361 175.1977 2 E 4.0276 8.4686 117.1744 56.3091 30.5750 173.2831 3 L 5.2047 8.6900 123.5492 52.7206 45.9128 175.0466 4 T 4.8081 9.2052 114.7995 61.2598 71.2901 172.0598 5 T 5.2992 8.5002 110.3536 60.1277 72.1897 173.2186 6 R 4.7055 8.8757 121.3657 55.1693 34.1936 173.6664 7 T 4.9829 8.4162 121.6792 61.8542 70.1878 174.1718 8 L 4.3417 9.6142 129.2719 53.3020 42.6001 175.5978 9 P 4.5460 0.0000 0.0000 62.4309 31.9754 176.2021 10 A 3.9799 8.6165 122.7413 55.1160 18.3413 178.0405 11 R 4.2439 7.6702 117.2458 55.1085 29.5764 175.7547 12 K 4.3601 8.4584 125.0818 56.4415 34.0827 176.2063 13 H 5.2237 9.7194 120.9343 54.8057 30.2122 173.8651 14 I 4.9863 9.1731 125.4437 59.4759 39.5926 174.7550 15 A 5.1319 8.9955 129.1814 50.4476 21.3361 175.5807 16 L 5.0299 9.0359 123.0309 52.8978 44.6616 175.9649 17 V 4.7670 8.7887 123.1464 61.3379 35.2791 173.6925 18 A 5.4479 8.4375 126.9579 51.0766 22.2965 175.6642 19 H 4.6921 9.3098 118.4052 55.6331 30.2510 176.3286 20 D 4.4413 9.1536 121.2593 58.4170 40.5413 179.4010 21 H 4.5717 8.1727 113.1133 57.6561 29.0938 176.1879 22 C 4.7537 8.3888 118.1183 59.3760 28.7993 175.6299 23 K 4.1355 8.1565 124.2511 60.1652 31.6607 179.6836 24 Q 4.0846 8.1287 120.4115 60.4787 28.1237 180.2503 25 M 4.3572 8.1246 120.5069 58.2294 32.0517 178.4531 26 L 4.2064 8.1965 120.3486 58.6245 42.2543 178.4182 27 M 4.1034 8.4875 119.0141 58.9835 31.9792 179.0052 28 S 4.4918 8.3854 115.2729 60.6421 62.8993 176.3378 29 W 4.1322 8.1742 131.5009 60.2791 30.7882 177.8598 30 V 3.6275 8.5488 118.6732 66.0084 30.6420 177.7232 31 E 3.9158 8.2853 118.3021 59.6826 29.1621 179.6637 32 R 3.9558 7.9575 116.0693 58.1685 30.2686 177.1868 33 H 4.5407 7.3304 114.8373 55.1632 29.6381 175.2927 34 Q 3.8864 7.7453 122.8760 59.1973 28.4056 177.0822 35 P 4.1972 0.0000 0.0000 65.6910 31.7515 178.3218 36 L 4.1611 7.6948 116.9505 57.9168 41.6984 179.3157 37 L 4.1784 7.9149 118.8661 57.8962 41.2921 179.3271 38 E 4.0470 8.2861 117.9235 59.0229 29.3735 177.8416 39 Q 4.3404 7.6407 115.4350 56.1525 28.8145 174.1875 40 H 5.0604 8.2532 115.4771 54.0543 33.3176 172.4620 41 V 4.3192 8.4848 118.9099 61.6054 33.1428 174.4480 42 L 5.3915 8.4140 127.2922 53.4005 44.4669 175.0014 43 Y 5.2167 9.2228 119.5600 56.6491 42.4480 174.1183 44 A 5.3152 8.6436 121.0688 52.2302 23.6082 176.0468 45 T 3.9581 8.4711 109.7404 61.5685 70.1940 174.7531 46 G 3.6790 8.9465 104.2122 48.8952 0.0000 176.0004 47 T 3.8918 7.9097 115.5852 66.2502 69.2169 176.4391 48 T 3.9815 8.0765 116.9923 66.7780 68.5010 176.4256 49 G 3.7012 8.5633 107.6104 48.1073 0.0000 175.4400 50 N 4.3785 7.9628 119.1822 55.8393 38.5506 177.4967 51 L 3.9960 7.9489 120.4307 57.8345 41.6341 179.7209 52 I 3.7124 7.7367 119.6393 64.4654 37.1103 178.5623 53 S 4.3152 7.9637 116.4333 61.0107 62.4368 176.4929 54 R 3.8783 8.1017 121.2669 58.8582 29.9267 177.8001 55 A 4.3375 7.9140 119.2790 53.4422 19.0683 178.3549 56 T 4.4600 8.1592 106.2111 60.5616 70.3780 175.6376 57 G 3.9170 8.4169 109.4043 45.8479 0.0000 173.8596 58 M 4.2258 7.8841 122.2399 55.5133 32.6661 175.7019 59 N 4.5430 8.4223 118.1811 51.5564 38.5179 175.7764 60 V 4.4466 8.0424 122.9187 60.0918 34.5316 175.0440 61 N 4.5486 8.9841 126.2643 52.7528 38.4399 173.6572 62 A 4.6782 8.3284 125.7791 51.9530 19.8066 176.7603 63 M 4.6243 9.0344 123.1116 53.9035 35.6036 175.6776 64 L 4.3700 8.9831 119.5093 54.7660 43.4758 176.8576 65 S 4.3585 8.6496 115.3843 58.5606 63.2328 174.7285 66 G 3.9008 9.1933 116.1403 48.5867 0.0000 173.8758 67 P 4.2012 0.0000 0.0000 64.6574 31.4018 177.1141 68 M 4.3598 8.1211 115.3403 54.6772 32.3790 175.6117 69 G 3.7357 8.3882 108.8786 45.5270 0.0000 176.5670 70 G 3.7705 8.6032 108.5236 48.3404 0.0000 175.4756 71 D 4.2663 7.9872 120.5247 57.1749 40.8082 178.7664 72 Q 3.9702 7.9719 118.1185 58.8144 28.7887 178.4490 73 Q 3.9400 8.1937 119.3191 58.8826 28.6743 179.0294 74 V 3.5912 7.8227 119.4428 65.8692 31.5833 178.2953 75 G 3.5581 8.3321 105.5717 47.6156 0.0000 175.4714 76 A 3.9243 8.2189 123.3436 54.9904 18.3580 179.6722 77 L 3.7698 7.7590 117.4332 57.8404 41.6162 179.8885 78 I 3.4755 7.7514 119.9612 64.3900 36.8928 178.7079 79 S 2.7900 7.5868 113.3086 60.5888 62.7122 175.3721 80 E 3.9974 7.3545 119.4783 55.4798 29.3790 176.7208 81 G 3.6262 7.4798 107.3372 46.4746 0.0000 174.8044 82 K 4.1644 7.8865 117.8479 55.6773 32.8615 176.5964 83 I 4.3346 7.2154 119.6956 59.4747 39.6320 174.6934 84 D 4.8344 8.9701 124.4443 54.7485 42.7905 177.0089 85 V 4.7099 7.5713 117.2279 60.9603 35.5965 173.5491 86 L 5.1012 8.8659 128.5850 53.3298 45.1564 174.9303 87 I 4.6471 8.8872 127.5557 59.7210 39.6065 174.5150 88 F 5.3863 9.3916 130.9937 56.5892 41.4147 173.1156 89 F 5.6312 9.1919 126.3848 56.1316 37.9249 175.0292 90 W 4.4350 7.8789 119.4342 55.1272 29.9766 176.1898 91 D 4.3927 8.8997 121.6735 52.8887 40.2789 174.4260 92 P 4.2232 0.0000 0.0000 63.6706 31.7857 176.6649 93 L 4.6798 8.4986 118.8523 54.2202 42.0217 175.4604 94 N 4.8857 7.8387 116.1556 51.7077 41.8425 173.6614 95 A 4.1864 8.7223 128.8292 51.9632 19.2486 176.5520 96 V 4.4067 8.1884 122.8344 60.2723 33.6881 174.5270 97 P 4.2862 0.0000 0.0000 65.7310 31.5118 176.9507 98 Q 4.4631 7.9198 114.8722 56.3038 29.3918 177.1286 99 D 4.3751 8.1668 120.7639 58.1211 41.0239 176.0666 100 P 4.2340 0.0000 0.0000 66.1444 31.1958 178.0502 101 D 4.3656 8.0635 118.1547 56.9074 40.7677 178.7487 102 V 3.7725 7.8162 118.7346 66.0520 31.5370 178.3255 103 K 3.8103 8.0908 117.9763 59.3111 31.8991 179.1821 104 A 3.9959 8.3600 121.5208 55.0429 18.2777 179.4988 105 L 3.9144 8.0634 118.7645 58.3853 42.2178 179.2587 106 L 4.0885 8.0076 118.9932 57.5837 41.3809 179.5081 107 R 3.8497 8.3930 119.2481 59.4239 30.0555 178.6228 108 L 4.0299 8.0838 118.5697 57.7674 41.5080 179.2321 109 A 4.1630 8.1517 120.7382 55.4930 18.2426 179.9461 110 T 3.8313 7.9606 114.1137 66.7489 68.3837 176.9893 111 V 3.3274 7.6587 119.3361 65.8956 31.4130 176.9395 112 W 4.2629 8.4225 116.0596 56.2631 29.2102 175.5355 113 N 4.1483 7.7214 116.6737 54.7142 37.1912 173.2556 114 I 4.6295 7.2304 109.6888 58.3114 40.8361 174.8370 115 P 4.4908 0.0000 0.0000 63.0627 32.3113 175.5794 116 V 5.1134 8.4204 122.7492 61.1887 34.8302 173.9932 117 A 5.0089 9.2106 129.0044 50.4433 21.6853 176.5011 118 T 5.4023 9.1340 109.8799 60.6158 70.2473 173.5806 119 N 4.2297 7.5063 119.4393 50.1891 41.7321 175.2326 120 V 3.3240 7.5137 118.9668 65.9268 31.7123 177.4103 121 A 4.1389 7.9309 119.9926 55.8550 18.1904 179.6659 122 T 3.9231 8.3915 113.8382 66.6286 68.5081 176.8951 123 A 4.0258 8.1498 122.7771 55.2579 18.2436 179.4899 124 D 4.5563 8.8293 117.8372 57.7287 40.7391 179.0212 125 F 3.9539 8.2297 116.8240 60.3854 39.0184 177.6846 126 I 4.0312 8.0641 119.5447 64.5875 36.8605 178.4214 127 I 2.7265 7.6730 117.6233 63.2995 37.7919 177.1958 128 Q 4.1499 7.6452 117.1635 56.2347 29.4376 176.3004 129 S 4.2468 7.3785 115.9725 57.5673 63.2182 172.9291 130 P 4.2705 0.0000 0.0000 67.1397 31.1930 178.1469 *131 H 4.5841 8.2309 112.8143 55.0525 28.0991 178.5732 132 F 4.0765 8.3979 121.8497 61.6405 39.2905 175.5103 133 N 5.0988 7.8869 114.7517 52.8900 38.7006 173.7249 134 D 5.1806 7.4908 117.2956 51.9745 44.0873 175.8601 135 A 4.4118 8.4672 122.4623 52.1442 19.0780 177.2773 136 V 4.4407 8.8397 121.7840 61.1530 35.2135 173.9603 137 D 5.4243 8.8049 127.4564 53.4668 42.0513 175.7707 138 I 4.7198 9.0706 116.2408 58.9228 41.4424 174.3626 139 L 4.9481 8.5455 124.2030 54.2852 42.2603 176.1192 140 I 4.8247 8.8691 117.7646 57.8711 41.4015 173.0911 141 P 4.4610 0.0000 0.0000 62.7910 32.2631 176.8768 142 D 4.6609 8.9134 122.3989 53.4104 40.5893 176.2659 143 Y 4.2692 8.6256 127.7380 60.6024 38.9560 177.2913 144 Q 4.0525 8.5337 120.8709 59.9123 28.8903 179.8502 145 R 3.9008 8.4257 121.2589 61.4443 29.2994 179.9764 146 Y 4.2205 8.1211 120.5309 60.6436 38.9398 178.1590 147 L 3.3932 8.2015 121.2624 57.8005 41.8518 178.6273 148 A 3.9114 7.7720 119.9748 55.4342 18.4366 179.1655 149 D 4.3550 7.9770 117.1149 57.2896 40.5701 179.2283 150 R 3.7963 7.1467 118.3429 58.4126 30.0621 177.9364 151 L 4.4911 7.3652 117.9457 54.8721 41.9592 177.4893 152 K 4.1281 7.3968 126.6283 54.8799 31.5944 181.3206 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 1 M 8.40 4.41 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 2 E 8.47 4.03 0.00 1.76 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 2.31 1.98 0.00 3 L 8.69 5.20 0.00 1.48 1.57 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.21 4.81 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 1.34 0.00 0.00 5 T 8.50 5.30 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 1.23 0.00 0.00 6 R 8.88 4.71 0.00 1.92 1.78 0.00 3.02 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 7 T 8.42 4.98 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 1.25 0.00 0.00 8 L 9.61 4.34 0.00 1.41 1.55 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.55 0.00 2.26 2.06 0.00 3.88 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 2.07 2.01 0.00 10 A 8.62 3.98 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 11 R 7.67 4.24 0.00 1.75 1.86 0.00 3.20 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.81 0.00 12 K 8.46 4.36 0.00 1.45 1.52 0.00 1.49 0.00 0.00 1.83 0.00 0.00 2.44 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 0.53 7.81 13 H 9.72 5.22 0.00 3.06 3.16 0.00 5.58 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 9.17 4.99 2.01 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.81 1.05 0.00 0.00 15 A 9.00 5.13 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 16 L 9.04 5.03 0.00 1.55 1.55 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.79 4.77 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 0.58 0.00 0.00 0.68 0.00 0.00 18 A 8.44 5.45 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 19 H 9.31 4.69 0.00 3.25 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 9.15 4.44 0.00 2.60 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 21 H 8.17 4.57 0.00 3.27 3.34 0.00 5.68 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 22 C 8.39 4.75 0.00 3.24 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 23 K 8.16 4.14 0.00 2.05 1.93 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.73 7.81 24 Q 8.13 4.08 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 25 M 8.12 4.36 0.00 2.12 2.39 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.63 0.00 26 L 8.20 4.21 0.00 1.86 1.90 0.34 0.91 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 27 M 8.49 4.10 0.00 2.12 2.36 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 3.00 0.00 28 S 8.39 4.49 0.00 4.13 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 29 W 8.17 4.13 0.00 3.63 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.55 3.63 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.22 0.00 0.00 31 E 8.29 3.92 0.00 2.21 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 2.34 2.59 0.00 32 R 7.96 3.96 0.00 1.53 1.75 0.00 3.05 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.89 0.00 33 H 7.33 4.54 0.00 2.43 2.79 0.00 5.84 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.75 3.89 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.74 0.00 0.00 0.00 0.00 0.00 2.59 2.41 0.00 35 P 0.00 4.20 0.00 2.00 2.08 0.00 3.55 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 36 L 7.69 4.16 0.00 1.70 1.71 0.80 0.63 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 37 L 7.91 4.18 0.00 1.71 1.78 0.86 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.29 4.05 0.00 2.09 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 0.00 2.34 2.55 0.00 39 Q 7.64 4.34 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 40 H 8.25 5.06 0.00 3.18 3.44 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.48 4.32 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 0.88 0.00 0.00 0.92 0.00 0.00 42 L 8.41 5.39 0.00 1.60 1.58 0.96 0.94 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 43 Y 9.22 5.22 0.00 2.82 2.81 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 44 A 8.64 5.32 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 45 T 8.47 3.96 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 1.13 0.00 0.00 46 G 8.95 3.68 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 0.00 0.00 0.00 47 T 7.91 3.89 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 1.23 0.00 0.00 48 T 8.08 3.98 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 1.23 0.00 0.00 49 G 8.56 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 0.00 0.00 0.00 50 N 7.96 4.38 0.00 2.70 2.88 0.00 0.00 7.08 7.10 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 51 L 7.95 4.00 0.00 1.87 1.75 0.96 0.95 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 52 I 7.74 3.71 2.03 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 1.63 0.87 0.94 0.00 0.00 53 S 7.96 4.32 0.00 4.14 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.10 3.88 0.00 1.87 2.25 0.00 3.26 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 55 A 7.91 4.34 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 56 T 8.16 4.46 4.40 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 1.25 0.00 0.00 57 G 8.42 3.92 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 0.00 0.00 0.00 58 M 7.88 4.23 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.48 0.00 59 N 8.42 4.54 0.00 2.74 2.61 0.00 0.00 6.40 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.04 4.45 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 0.96 0.00 0.00 0.92 0.00 0.00 61 N 8.98 4.55 0.00 2.01 2.54 0.00 0.00 6.46 7.54 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 62 A 8.33 4.68 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 63 M 9.03 4.62 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.82 0.00 64 L 8.98 4.37 0.00 1.63 1.59 0.92 0.92 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 65 S 8.65 4.36 0.00 3.91 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 66 G 9.19 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 67 P 0.00 4.20 0.00 2.06 2.15 0.00 3.63 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 68 M 8.12 4.36 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 69 G 8.39 3.74 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 0.00 0.00 0.00 70 G 8.60 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 0.00 0.00 0.00 71 D 7.99 4.27 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.97 3.97 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 73 Q 8.19 3.94 0.00 2.25 2.12 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 2.36 2.49 0.00 74 V 7.82 3.59 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 75 G 8.33 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 76 A 8.22 3.92 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 L 7.76 3.77 0.00 1.70 1.47 0.76 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.75 3.48 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.65 0.89 0.00 0.00 79 S 7.59 2.79 0.00 3.91 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 80 E 7.35 4.00 0.00 1.92 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 2.15 2.18 0.00 81 G 7.48 3.63 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 0.00 82 K 7.89 4.16 0.00 1.60 1.57 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.23 1.36 7.81 83 I 7.22 4.33 1.70 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.64 0.88 0.00 0.00 84 D 8.97 4.83 0.00 2.45 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 85 V 7.57 4.71 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 1.23 0.00 0.00 0.88 0.00 0.00 86 L 8.87 5.10 0.00 1.79 1.51 0.85 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.89 4.65 1.67 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.81 0.09 0.00 0.00 88 F 9.39 5.39 0.00 2.98 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 89 F 9.19 5.63 0.00 3.02 2.82 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 90 W 7.88 4.43 0.00 2.96 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 0.00 0.00 0.00 91 D 8.90 4.39 0.00 2.77 2.81 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 92 P 0.00 4.22 0.00 1.88 1.15 0.00 3.45 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 93 L 8.50 4.68 0.00 1.65 1.65 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.84 4.89 0.00 2.76 2.76 0.00 0.00 7.12 7.96 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 95 A 8.72 4.19 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 96 V 8.19 4.41 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 1.04 0.00 0.00 0.98 0.00 0.00 97 P 0.00 4.29 0.00 2.09 2.12 0.00 3.72 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 2.04 2.09 0.00 98 Q 7.92 4.46 0.00 2.37 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 99 D 8.17 4.38 0.00 3.01 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 0.00 100 P 0.00 4.23 0.00 2.29 2.29 0.00 3.75 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 2.08 2.06 0.00 101 D 8.06 4.37 0.00 2.96 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 0.00 102 V 7.82 3.77 2.16 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 0.61 0.00 0.00 1.21 0.00 0.00 103 K 8.09 3.81 0.00 1.94 1.76 0.00 1.31 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.35 1.34 7.81 104 A 8.36 4.00 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 0.00 105 L 8.06 3.91 0.00 1.85 1.97 0.87 0.13 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 0.00 106 L 8.01 4.09 0.00 1.78 1.66 0.38 0.91 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 0.00 107 R 8.39 3.85 0.00 1.93 2.09 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 108 L 8.08 4.03 0.00 1.95 1.87 1.01 0.84 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 0.00 109 A 8.15 4.16 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.96 3.83 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 1.19 0.00 0.00 111 V 7.66 3.33 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 0.05 0.00 0.00 0.87 0.00 0.00 112 W 8.42 4.26 0.00 3.39 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.72 4.15 0.00 2.80 2.93 0.00 0.00 6.99 8.11 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 0.00 114 I 7.23 4.63 2.12 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 1.30 0.86 1.01 0.00 0.00 115 P 0.00 4.49 0.00 2.18 2.12 0.00 3.85 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 2.15 2.14 0.00 116 V 8.42 5.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.04 0.00 0.00 117 A 9.21 5.01 1.25 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 0.00 0.00 118 T 9.13 5.40 4.37 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 1.47 0.00 0.00 119 N 7.51 4.23 0.00 2.64 2.60 0.00 0.00 5.85 7.68 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 0.00 120 V 7.51 3.32 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 1.23 0.00 0.00 0.68 0.00 0.00 121 A 7.93 4.14 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 0.00 122 T 8.39 3.92 4.32 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 1.30 0.00 0.00 123 A 8.15 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.83 4.56 0.00 3.00 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 0.00 125 F 8.23 3.95 0.00 3.20 3.21 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 0.00 126 I 8.06 4.03 2.15 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 1.17 0.00 0.00 127 I 7.67 2.73 1.82 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.36 0.93 0.00 0.00 128 Q 7.65 4.15 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.56 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 129 S 7.38 4.25 0.00 4.09 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 0.00 130 P 0.00 4.27 0.00 2.30 2.35 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 *131 H 8.23 4.58 0.00 2.86 3.10 0.00 7.19 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.40 4.08 0.00 3.18 3.21 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 0.00 133 N 7.89 5.10 0.00 2.96 2.88 0.00 0.00 6.86 7.94 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 0.00 134 D 7.49 5.18 0.00 2.59 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 0.00 135 A 8.47 4.41 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 0.00 136 V 8.84 4.44 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 0.99 0.00 0.00 1.01 0.00 0.00 137 D 8.80 5.42 0.00 2.59 2.59 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 0.00 138 I 9.07 4.72 1.91 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 1.44 1.00 0.94 0.00 0.00 139 L 8.55 4.95 0.00 1.56 1.66 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.87 4.82 2.16 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.09 1.14 0.00 0.00 141 P 0.00 4.46 0.00 1.77 1.77 0.00 3.45 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.02 0.00 142 D 8.91 4.66 0.00 2.79 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 0.00 143 Y 8.63 4.27 0.00 3.39 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 Q 8.53 4.05 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.68 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 145 R 8.43 3.90 0.00 1.82 1.94 0.00 3.28 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 146 Y 8.12 4.22 0.00 3.04 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 0.00 147 L 8.20 3.39 0.00 0.93 1.41 0.80 1.46 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 0.00 148 A 7.77 3.91 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 0.00 149 D 7.98 4.35 0.00 2.69 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 0.00 150 R 7.15 3.80 0.00 1.67 1.79 0.00 3.10 0.00 0.00 2.90 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.05 0.00 151 L 7.37 4.49 0.00 1.58 1.64 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 152 K 7.40 4.13 0.00 1.75 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.26 7.81 * Residues marked with a * may have inaccurate shift predictions.