NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7110 8.3549 109.7544 45.2579 0.0000 175.4621 *2 F 4.3427 8.4910 122.7151 56.9780 39.7598 173.4848 3 A 4.8940 8.4908 124.9989 50.2709 22.0040 175.4509 4 S 4.7526 8.4799 113.6416 56.2392 64.9384 173.3709 5 L 4.5765 8.3680 125.7918 52.9462 43.7513 175.4537 6 V 3.9986 8.3682 126.5237 61.9095 32.1716 174.9656 7 I 4.6681 7.9584 120.0749 57.8657 40.6143 173.3360 8 P 4.3408 0.0000 0.0000 62.6174 32.1278 177.6874 9 V 3.6080 8.3764 120.8082 65.8212 31.2215 178.2433 10 S 4.1412 8.1893 113.6457 61.4195 62.1289 176.3391 11 A 3.9889 8.0629 124.3580 55.1554 18.0074 179.6405 12 Q 3.7217 8.0423 115.9201 58.7412 28.4820 178.7323 13 A 3.9978 7.5255 122.3835 54.5707 18.5607 177.7652 14 N 4.9242 7.4790 111.5957 53.2645 38.6790 176.3883 15 S 4.1817 7.7230 115.2303 59.2811 63.4002 175.5233 16 G 3.8692 8.4503 110.8818 46.2053 0.0000 174.3023 17 E 4.4235 7.9021 117.2358 54.0423 29.0438 179.8387 *19 P 4.3053 0.0000 0.0000 62.2666 34.5746 177.6748 20 Q 4.0702 8.5169 119.7368 59.0488 28.6508 179.1444 21 E 3.9898 8.1286 119.2607 59.5876 29.6017 179.1870 22 Q 4.0101 8.0430 117.5164 59.0121 28.9228 178.6558 23 Q 4.0151 8.1918 119.0914 58.9294 28.7796 178.7470 24 L 4.0710 8.1229 121.0828 58.0206 41.9232 178.6499 25 A 3.9717 7.7743 119.8397 55.2615 18.3520 179.4079 26 V 3.6967 7.7096 115.4072 66.1088 31.9180 178.0272 27 K 4.1900 7.9869 117.8651 59.5861 31.8107 179.1553 28 Y 3.0485 7.5700 115.6461 58.3353 38.3049 177.1077 *30 D 4.3506 8.0515 119.5603 53.8980 43.1930 177.6698 31 A 3.8063 7.8283 120.6114 54.9005 18.2558 179.3455 32 L 3.5524 7.5984 119.2422 58.4877 42.3100 179.3341 33 T 2.7457 7.3680 108.3610 63.3039 68.6215 175.1362 34 E 4.2154 7.4364 119.3567 55.4217 29.9099 175.4460 35 H 3.3257 7.2256 115.0726 56.8000 27.0176 176.1274 36 D 4.4501 7.3544 119.7448 53.4228 38.8407 174.9629 37 Y 4.1500 7.4816 122.0953 60.0389 38.1203 177.1558 38 K 3.9912 8.0664 119.7765 59.8959 32.7296 178.5101 39 T 4.0920 8.0543 115.4698 66.3444 68.4607 176.6198 40 L 4.0000 8.2026 122.6443 58.3378 42.1281 178.9598 41 I 3.8878 8.1036 118.5398 64.0647 37.6492 177.7735 42 T 3.9436 7.6522 109.3442 64.0867 68.7819 174.9402 43 F 4.6209 8.2009 119.3745 58.0780 39.4176 174.5238 44 Y 5.4413 7.8073 118.3667 56.1590 41.1304 174.5057 45 N 5.2216 8.7742 118.6141 51.1879 40.4085 175.0046 46 R 3.9237 8.5929 112.8632 58.8028 29.4843 177.2698 47 D 4.7991 8.1822 116.8452 54.1407 41.9356 176.8257 48 S 4.5831 7.9883 116.4990 58.7431 64.3432 172.9985 49 I 4.9622 8.6108 123.9577 59.4824 40.1646 174.2399 50 F 5.1271 9.2842 129.5376 56.4552 41.5904 173.9406 51 F 5.3275 8.8529 129.5829 56.4607 42.0245 173.7519 52 D 4.8812 9.0949 128.3043 53.2882 40.8596 177.0348 53 K 3.6052 8.7006 127.7465 59.0779 32.3840 180.2400 54 T 3.9176 8.0233 107.9411 64.0923 68.8448 174.8350 55 A 4.2604 8.8620 123.1088 51.4220 19.8090 175.9540 56 N 4.3277 7.6919 113.5381 54.8802 37.9788 174.9968 57 R 4.4719 8.5462 116.4822 54.4370 34.0270 176.2044 58 K 4.7114 8.3081 125.7861 54.6967 34.0365 174.5240 59 Y 4.5712 9.2494 126.1088 56.7068 40.2381 174.9040 60 T 4.8557 8.7055 119.8256 62.6364 71.6390 174.1471 61 G 3.9470 9.6339 115.7652 45.0986 0.0000 174.3852 62 G 3.7836 9.0383 112.2016 48.4015 0.0000 175.8652 63 R 4.0338 7.8889 119.8046 58.9486 30.1560 179.0616 64 F 4.5905 8.0647 117.3025 60.5117 38.9162 177.6806 65 I 3.6647 8.0715 119.5736 64.4558 36.8397 178.4849 66 I 3.7057 8.0787 120.8467 64.4270 36.9791 177.9389 67 D 4.1910 8.1299 118.8116 57.2623 40.9578 178.0285 68 F 4.1029 8.0466 120.9864 61.2415 39.2761 177.1177 69 L 3.0606 7.5934 118.5928 57.4646 41.1841 179.1324 70 E 3.7231 7.5458 119.4493 58.6410 29.6254 178.7847 71 R 3.9560 7.8869 117.8830 59.1482 29.9115 178.8749 72 A 3.8986 7.8522 119.7986 54.6441 18.4440 178.3968 73 H 4.6674 7.8356 112.7303 54.2983 28.9532 174.3673 74 Q 3.9595 7.1016 123.1344 58.0627 28.9052 177.3524 75 G 3.9446 8.9657 113.4096 45.3058 0.0000 173.0471 76 V 3.9726 7.6518 120.4126 61.9864 32.0641 175.9374 77 L 4.4004 8.4386 127.0612 53.5892 42.5203 176.0375 78 E 4.1477 8.7266 120.5136 57.4165 29.6882 175.4168 79 Y 4.9625 8.0823 122.4810 55.3115 41.2487 174.2835 80 D 4.9456 8.8965 119.1882 52.4509 44.4345 175.4360 81 F 5.2215 8.7322 124.3902 56.9473 40.7914 175.0249 82 N 4.7199 9.1253 126.7034 51.7800 39.0302 174.4580 83 I 3.9453 7.7321 117.6283 60.2265 38.4773 175.7175 84 E 4.2908 8.9383 124.5440 58.8580 30.6560 175.0978 85 H 4.7487 7.6260 116.4646 55.4953 33.2457 171.6642 *87 Y 4.7340 8.2779 117.0058 57.1313 39.4996 173.4040 88 N 5.4528 8.6808 115.0535 51.5008 40.9659 174.3345 89 A 4.5704 9.0198 123.6871 50.8114 20.8104 177.6429 90 G 3.7199 8.1548 114.2489 48.2701 0.0000 172.8575 91 S 4.4229 8.6856 120.9859 58.2072 62.7669 172.2960 92 L 4.8729 8.0329 124.8621 53.7079 43.2323 175.1546 93 V 4.6186 8.7701 127.6404 61.2872 33.6208 174.8439 94 V 4.4898 8.1637 127.0366 60.7798 35.0553 174.3199 *96 I 4.0448 8.0912 121.6002 61.4661 38.5365 175.7606 97 G 3.6500 7.9844 112.0858 46.4739 0.0000 171.0838 98 N 5.7086 8.2349 117.2570 51.7456 42.7447 173.3816 99 Y 4.7358 9.3312 121.6758 57.4108 39.8326 173.9058 100 H 5.5166 9.5573 125.6092 54.7371 31.9164 172.9616 101 F 5.1694 9.1822 125.1237 55.5723 41.6495 174.7979 102 K 4.8521 9.4685 123.7793 53.7070 35.1639 176.5973 103 G 3.9252 8.2988 114.1276 44.3004 0.0000 169.5612 104 P 4.6556 0.0000 0.0000 63.4356 31.7499 176.4783 105 G 4.1204 8.9699 110.2077 45.3957 0.0000 175.1655 106 E 3.9369 8.4279 121.1449 59.7078 29.4248 179.2529 107 Q 4.0025 8.0241 114.1492 57.4957 28.9414 176.5880 108 F 4.4110 8.0384 115.4943 56.8600 39.1842 176.0123 109 G 3.9062 8.0559 107.9574 46.2477 0.0000 175.0376 110 K 4.6869 8.1309 116.2257 53.7733 32.4316 174.6326 111 P 4.4447 0.0000 0.0000 64.1285 32.1600 177.7724 112 G 3.9299 9.2750 109.2137 45.5613 0.0000 172.9627 113 K 4.7414 7.6666 118.3344 54.4644 36.1337 174.8505 114 I 4.8595 8.2485 122.4774 59.9732 38.6435 175.4353 115 I 4.6668 8.7124 120.5253 59.3182 40.9373 174.4669 116 D 5.0793 9.0242 122.7749 53.2664 43.6648 174.7855 117 V 4.7973 9.1334 119.1035 59.4838 36.2647 175.0133 118 A 5.1299 9.5684 125.2074 50.5712 21.3529 175.6611 119 I 4.4794 8.8714 124.2853 59.4722 39.4060 174.1952 120 P 4.9970 0.0000 0.0000 62.6182 32.6182 175.3427 121 A 5.0759 8.9288 122.8364 51.2507 23.4801 175.2052 122 V 4.8378 8.7337 119.3088 61.3939 34.6633 174.5840 123 T 5.3034 8.8084 123.6129 61.7705 71.4863 173.2809 124 S 5.0457 9.1610 120.9639 56.4305 66.4821 172.9430 125 L 5.0934 8.8366 121.7646 52.8916 45.1133 175.1756 126 K 4.8440 9.1747 125.9491 55.0585 33.6386 174.9830 127 L 5.1572 8.7284 127.8828 53.2137 44.1718 175.5926 128 D 4.6642 9.0686 122.1756 52.9145 43.6242 176.7937 *130 L 4.1950 8.3974 122.0598 54.9428 43.4433 177.0707 131 N 4.6253 8.2953 111.7668 52.3125 39.2254 174.9991 132 R 3.7514 7.7229 116.4806 57.6785 27.9301 175.5901 133 R 4.9360 8.0645 116.9890 54.5245 34.0234 175.2592 134 V 4.5366 8.9707 126.1094 62.2442 31.7079 175.7506 135 T 4.3341 9.0327 119.8268 64.0052 70.6670 174.6431 136 E 5.0612 8.0184 123.2173 55.1815 33.3192 173.1324 137 H 5.3180 9.6098 128.3245 54.6264 32.0094 173.1206 138 V 4.7711 8.8319 126.6299 61.2194 33.9481 173.7832 139 D 5.3395 8.7896 127.7802 52.6636 43.8246 175.4821 140 L 4.9269 9.1678 123.2707 53.0377 43.5689 174.6372 141 I 4.4496 8.6042 124.6606 59.3837 38.7631 176.6396 142 D 4.6240 8.5624 127.7245 53.1465 39.4548 175.3331 143 Y 4.3515 7.8695 120.5580 60.4695 38.8352 177.6218 144 Q 4.2011 8.3458 120.7005 59.5066 29.5190 178.9099 145 T 4.4356 8.0785 113.4318 63.9201 67.8636 176.4207 *147 S 4.4948 8.2034 119.7635 58.8413 64.9320 176.1534 148 D 4.3883 8.4148 119.4785 57.4600 40.5336 178.5778 149 Q 4.1596 7.9187 117.5918 59.0079 28.8273 178.4445 150 L 4.1610 7.9244 118.2133 57.2156 42.0069 179.9362 151 A 4.1814 7.9318 122.7090 51.5432 18.2252 177.3752 *153 Q 4.0587 8.1352 125.9520 57.5556 29.2815 175.7302 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 0 G 8.35 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 0.00 0.00 0.00 *2 F 8.49 4.34 0.00 3.10 3.05 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 0.00 3 A 8.49 4.89 1.23 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 0.00 0.00 4 S 8.48 4.75 0.00 3.96 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 5 L 8.37 4.58 0.00 1.57 1.57 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.37 4.00 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 0.87 0.00 0.00 0.92 0.00 0.00 7 I 7.96 4.67 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 1.45 0.82 0.90 0.00 0.00 8 P 0.00 4.34 0.00 2.22 2.20 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 9 V 8.38 3.61 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 1.05 0.00 0.00 0.86 0.00 0.00 10 S 8.19 4.14 0.00 4.08 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 0.00 11 A 8.06 3.99 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 12 Q 8.04 3.72 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 13 A 7.53 4.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.48 4.92 0.00 2.69 2.83 0.00 0.00 7.05 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 15 S 7.72 4.18 0.00 3.93 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 16 G 8.45 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.90 4.42 0.00 1.97 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 *19 P 0.00 4.31 0.00 2.18 2.04 0.00 3.58 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 20 Q 8.52 4.07 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 21 E 8.13 3.99 0.00 2.06 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 2.48 2.47 0.00 22 Q 8.04 4.01 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 23 Q 8.19 4.02 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 24 L 8.12 4.07 0.00 1.85 1.87 1.21 0.97 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 25 A 7.77 3.97 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 26 V 7.71 3.70 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 0.90 0.00 0.00 0.96 0.00 0.00 27 K 7.99 4.19 0.00 2.25 2.10 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.71 7.81 28 Y 7.57 3.05 0.00 1.89 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *30 D 8.05 4.35 0.00 2.81 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 31 A 7.83 3.81 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 32 L 7.60 3.55 0.00 1.23 1.32 0.84 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.37 2.75 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 34 E 7.44 4.22 0.00 1.82 1.90 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 2.30 2.24 0.00 35 H 7.23 3.33 0.00 3.15 3.09 0.00 5.84 0.00 0.00 0.00 0.00 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.35 4.45 0.00 2.66 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.48 4.15 0.00 3.10 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 38 K 8.07 3.99 0.00 1.79 2.01 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.56 7.81 39 T 8.05 4.09 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 1.34 0.00 0.00 40 L 8.20 4.00 0.00 1.77 1.72 0.20 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.10 3.89 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.42 1.05 0.00 0.00 42 T 7.65 3.94 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 1.26 0.00 0.00 43 F 8.20 4.62 0.00 3.10 3.05 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 0.00 44 Y 7.81 5.44 0.00 3.16 2.83 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 45 N 8.77 5.22 0.00 2.85 2.97 0.00 0.00 6.98 7.27 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 46 R 8.59 3.92 0.00 1.94 2.18 0.00 2.91 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 47 D 8.18 4.80 0.00 2.81 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 48 S 7.99 4.58 0.00 3.76 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 49 I 8.61 4.96 1.92 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 1.11 0.99 0.95 0.00 0.00 50 F 9.28 5.13 0.00 3.19 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 51 F 8.85 5.33 0.00 2.86 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 52 D 9.09 4.88 0.00 3.10 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 53 K 8.70 3.61 0.00 1.56 1.56 0.00 1.30 0.00 0.00 1.39 0.00 0.00 2.75 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.34 0.21 7.81 54 T 8.02 3.92 4.49 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 1.28 0.00 0.00 55 A 8.86 4.26 1.47 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 0.00 0.00 56 N 7.69 4.33 0.00 2.84 2.86 0.00 0.00 6.91 8.67 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 57 R 8.55 4.47 0.00 1.91 1.79 0.00 3.17 0.00 0.00 3.03 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 58 K 8.31 4.71 0.00 0.79 1.02 0.00 0.93 0.00 0.00 1.23 0.00 0.00 2.65 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.96 0.80 7.81 59 Y 9.25 4.57 0.00 3.00 2.90 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 60 T 8.71 4.86 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 1.19 0.00 0.00 61 G 9.63 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 62 G 9.04 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 0.00 0.00 0.00 63 R 7.89 4.03 0.00 1.84 2.08 0.00 3.13 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 64 F 8.06 4.59 0.00 3.19 3.12 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 65 I 8.07 3.66 1.72 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.80 0.82 0.00 0.00 66 I 8.08 3.71 1.94 0.00 0.00 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 1.89 1.18 0.82 0.00 0.00 67 D 8.13 4.19 0.00 2.94 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 68 F 8.05 4.10 0.00 2.73 2.78 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 69 L 7.59 3.06 0.00 1.68 1.61 0.97 0.45 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 70 E 7.55 3.72 0.00 1.16 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.83 0.00 71 R 7.89 3.96 0.00 1.82 1.89 0.00 3.16 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 72 A 7.85 3.90 1.02 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 73 H 7.84 4.67 0.00 3.37 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 7.10 3.96 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 75 G 8.97 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 76 V 7.65 3.97 2.29 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 1.13 0.00 0.00 0.85 0.00 0.00 77 L 8.44 4.40 0.00 1.78 1.67 1.02 0.97 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 78 E 8.73 4.15 0.00 1.93 1.90 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 2.24 2.42 0.00 79 Y 8.08 4.96 0.00 2.54 2.41 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 80 D 8.90 4.95 0.00 2.63 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 81 F 8.73 5.22 0.00 2.70 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 82 N 9.13 4.72 0.00 2.72 2.69 0.00 0.00 6.41 7.25 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 83 I 7.73 3.95 1.53 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.37 -0.10 0.00 0.00 84 E 8.94 4.29 0.00 1.90 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 2.23 2.36 0.00 85 H 7.63 4.75 0.00 3.09 3.27 0.00 5.95 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 Y 8.28 4.73 0.00 3.02 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 88 N 8.68 5.45 0.00 2.93 2.76 0.00 0.00 5.74 7.26 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 89 A 9.02 4.57 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 90 G 8.15 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 0.00 0.00 0.00 91 S 8.69 4.42 0.00 3.90 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 0.00 92 L 8.03 4.87 0.00 1.78 1.71 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.77 4.62 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 0.93 0.00 0.00 0.94 0.00 0.00 94 V 8.16 4.49 0.71 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 0.51 0.00 0.00 0.71 0.00 0.00 *96 I 8.09 4.04 1.92 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 1.34 0.42 0.95 0.00 0.00 97 G 7.98 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.23 5.71 0.00 2.63 2.75 0.00 0.00 7.41 6.99 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 99 Y 9.33 4.74 0.00 3.08 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 0.00 100 H 9.56 5.52 0.00 3.19 3.20 0.00 5.56 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 9.18 5.17 0.00 2.87 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 0.00 102 K 9.47 4.85 0.00 1.64 1.59 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.56 7.81 103 G 8.30 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 0.00 0.00 0.00 104 P 0.00 4.66 0.00 2.10 2.12 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 105 G 8.97 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 0.00 0.00 0.00 106 E 8.43 3.94 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 2.41 2.43 0.00 107 Q 8.02 4.00 0.00 1.59 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.19 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 108 F 8.04 4.41 0.00 3.10 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 0.00 109 G 8.06 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.13 4.69 0.00 1.90 1.73 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.51 7.81 111 P 0.00 4.44 0.00 2.18 2.06 0.00 3.90 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 1.99 1.97 0.00 112 G 9.27 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 0.00 0.00 0.00 113 K 7.67 4.74 0.00 1.81 1.69 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.38 7.81 114 I 8.25 4.86 1.87 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 1.41 0.82 0.96 0.00 0.00 115 I 8.71 4.67 1.65 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.82 0.87 0.00 0.00 116 D 9.02 5.08 0.00 2.65 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 0.00 117 V 9.13 4.80 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 0.64 0.00 0.00 0.80 0.00 0.00 118 A 9.57 5.13 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 0.00 119 I 8.87 4.48 2.15 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.10 1.00 0.00 0.00 120 P 0.00 5.00 0.00 2.12 2.01 0.00 3.97 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.10 0.00 121 A 8.93 5.08 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 0.00 122 V 8.73 4.84 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 1.02 0.00 0.00 0.98 0.00 0.00 123 T 8.81 5.30 4.41 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 1.28 0.00 0.00 124 S 9.16 5.05 0.00 3.86 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 0.00 125 L 8.84 5.09 0.00 1.44 1.39 0.74 0.35 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 0.00 126 K 9.17 4.84 0.00 1.83 1.68 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.46 7.81 127 L 8.73 5.16 0.00 1.54 1.57 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.07 4.66 0.00 2.69 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 *130 L 8.40 4.19 0.00 1.66 1.87 0.92 0.95 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 0.00 131 N 8.30 4.63 0.00 2.94 2.83 0.00 0.00 7.27 6.95 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 0.00 132 R 7.72 3.75 0.00 1.80 1.87 0.00 3.13 0.00 0.00 3.11 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 133 R 8.06 4.94 0.00 1.91 1.78 0.00 3.13 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 134 V 8.97 4.54 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 0.76 0.00 0.00 0.20 0.00 0.00 135 T 9.03 4.33 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 1.25 0.00 0.00 136 E 8.02 5.06 0.00 2.07 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 2.33 2.38 0.00 137 H 9.61 5.32 0.00 3.39 3.34 0.00 5.61 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.83 4.77 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 0.87 0.00 0.00 0.92 0.00 0.00 139 D 8.79 5.34 0.00 2.58 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 0.00 140 L 9.17 4.93 0.00 1.63 1.57 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.60 4.45 0.92 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 1.07 0.68 0.23 0.00 0.00 142 D 8.56 4.62 0.00 2.63 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 7.87 4.35 0.00 3.08 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 0.00 144 Q 8.35 4.20 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.22 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 145 T 8.08 4.44 4.47 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 1.25 0.00 0.00 *147 S 8.20 4.49 0.00 4.11 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 0.00 148 D 8.41 4.39 0.00 2.83 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 0.00 149 Q 7.92 4.16 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 150 L 7.92 4.16 0.00 1.79 1.77 1.13 0.72 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 0.00 151 A 7.93 4.18 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 *153 Q 8.14 4.06 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 * Residues marked with a * may have inaccurate shift predictions.