NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *13 E 4.3197 8.5445 116.7515 56.8464 30.6140 175.5482 *14 C 4.9616 7.9495 122.5791 54.4878 31.1645 166.4349 15 V 3.2138 8.0922 123.1891 65.8607 31.9256 177.6093 16 Q 3.9518 8.2059 120.9247 60.2051 28.6510 179.2949 17 Q 3.9933 8.0791 120.6806 60.5689 28.0613 180.7000 18 L 4.1681 7.5926 123.6221 57.8281 41.4014 180.3829 19 L 3.9546 7.8189 122.4414 59.6425 40.8914 182.5348 20 V 3.8542 7.7908 113.8013 64.2835 31.5353 178.6055 21 C 4.1367 8.3797 117.1431 62.7337 27.8129 176.2551 22 S 4.2107 8.2216 115.7304 61.0323 62.7439 176.3585 23 Q 3.9461 7.7130 123.7627 58.9549 28.7988 177.8622 24 E 3.9541 8.4266 119.6007 59.3087 29.6781 178.7791 25 A 4.0294 8.0098 120.8378 55.4151 18.4607 179.5934 26 K 4.0843 7.7087 116.7629 59.5412 31.9238 178.9772 27 Q 4.0669 8.3071 118.0567 58.4274 28.6663 177.1520 28 S 4.4359 7.7099 112.9868 58.1115 63.4061 174.2456 29 A 4.0288 7.3144 123.4982 53.1274 18.4512 177.1397 30 Y 4.5794 8.7732 124.3610 55.8563 38.9939 175.3297 31 C 4.9648 7.5896 126.3108 56.1914 29.7977 174.3457 32 P 3.8719 0.0000 0.0000 65.7810 31.5728 177.3454 33 Y 4.2264 7.5238 116.4338 60.2132 38.4276 176.7560 34 S 4.2731 8.2730 112.4381 58.8287 63.7418 174.3735 35 H 4.0989 8.2314 115.9248 56.5304 26.3318 174.9677 36 F 4.6479 7.9394 123.4347 55.4114 38.4656 172.6843 37 P 4.4846 0.0000 0.0000 62.0032 32.4417 175.7191 38 V 4.6552 9.1257 121.5324 61.3049 35.3588 174.0666 39 G 4.7508 9.4288 113.2598 43.4083 0.0000 171.3824 40 A 5.4065 9.2215 122.0840 49.9333 23.3461 175.3157 41 A 4.8667 8.9225 122.2691 50.1781 22.0940 174.7581 42 L 4.8776 9.2027 125.4305 54.4543 43.8776 175.0108 43 L 5.0850 9.1398 129.9919 53.8986 43.7454 176.4833 44 T 4.7874 9.2366 119.9110 61.3496 70.4077 176.5412 45 Q 4.0245 9.1888 120.0138 58.3972 28.0954 177.3224 46 E 4.0422 8.4024 117.0367 58.6125 29.4899 178.3103 47 G 4.0822 7.8250 103.7404 44.8812 0.0000 173.7148 48 R 4.1367 7.9613 121.2253 55.9743 31.3803 175.0382 49 I 5.0258 7.9719 125.2606 59.5331 40.0713 174.8161 50 F 4.6743 9.2993 127.2526 56.2370 41.5971 175.4354 51 K 4.9637 8.7951 127.1918 54.5744 33.3209 172.6051 52 G 4.4491 9.0055 108.2692 45.4266 0.0000 171.2706 53 C 5.8828 8.6320 114.5507 55.3859 34.1301 172.4281 54 N 5.0044 8.6567 116.3908 52.8282 38.8222 174.4618 55 I 5.1601 8.7965 121.8191 59.7823 40.1874 174.9911 56 E 4.7370 9.4238 127.4654 55.7227 30.7050 175.8033 57 N 5.1573 8.3426 117.5325 51.5133 42.2506 173.7518 58 A 3.4073 8.8161 125.9974 54.7918 18.6418 177.2981 59 C 4.3635 8.4357 116.9883 57.9363 30.9171 173.7742 60 Y 4.2376 8.4212 124.9120 60.5680 37.7121 177.6792 61 P 4.3061 0.0000 0.0000 65.2126 31.4463 176.9693 62 L 4.4580 8.3060 116.5949 54.5576 41.7490 177.4221 63 G 4.0468 7.7793 107.3274 46.6275 0.0000 172.8575 64 I 4.6541 7.9691 117.3598 60.1277 41.9064 174.9209 65 C 4.7810 8.7017 125.1634 59.0689 29.6098 174.6242 66 A 4.6282 8.6218 123.5436 55.0585 17.8246 180.0069 67 E 3.9318 8.1251 116.5598 59.6628 29.6465 179.6962 68 R 3.9781 7.9373 117.6133 59.4305 30.2391 178.9150 69 T 3.8589 8.1544 115.4664 66.5923 68.4870 176.4607 70 A 3.9649 8.1134 122.4179 55.2229 18.4209 179.6747 71 I 3.1922 7.9222 118.6487 64.5938 37.1533 178.7094 72 Q 3.9581 8.4354 119.1685 58.6621 28.2660 178.6892 73 K 3.8241 7.7824 119.4059 59.6963 32.5972 178.0060 74 A 2.5800 7.3420 120.5467 54.7898 18.0773 179.3656 75 V 3.7038 8.2389 117.4658 65.4552 31.4244 178.6320 76 S 4.4306 8.0105 111.7967 60.5339 62.7108 174.8814 77 E 4.5754 8.3567 121.6694 55.8781 29.7008 176.2421 78 G 3.8194 8.7801 106.7294 45.6506 0.0000 173.1550 79 Y 4.3290 8.0190 118.2356 56.7622 38.6588 175.7786 80 K 3.8115 8.1493 122.6944 55.4406 33.7203 176.4698 81 D 3.6990 7.0020 119.2339 50.9202 39.1381 173.4589 82 F 4.2371 8.4599 125.5924 57.5611 39.4945 175.8038 *83 R 4.2926 9.1730 124.3004 56.2755 30.5529 172.2385 84 A 5.2179 7.6033 117.1716 52.9846 22.2252 174.9190 85 I 5.1942 8.1719 118.1794 59.8386 42.1156 173.3148 86 A 5.3336 8.9675 130.3773 50.2831 21.5439 175.1117 87 I 5.1126 8.8861 122.1514 59.6900 40.4350 174.7307 88 A 4.9412 8.8475 125.6904 50.7565 22.9458 175.1246 89 S 4.9056 8.1799 113.1127 56.9888 66.4087 173.4862 90 D 4.4636 8.0996 117.4697 54.5594 40.5071 176.5153 91 M 4.2101 7.5227 122.9663 55.7768 31.5774 176.7371 *92 Q 4.1262 8.7518 127.8386 56.9621 28.7658 173.2083 *93 D 4.7550 7.7766 116.9911 53.9305 39.9826 180.9485 *94 D 4.9872 8.1157 122.0616 51.4506 39.8357 173.9520 95 F 5.6584 8.1729 118.6218 56.0142 40.4788 175.8524 96 I 4.1435 8.6002 124.3732 61.5352 37.3717 175.5395 97 S 4.9908 8.6762 122.0952 55.7800 65.1065 172.4519 98 P 4.7497 0.0000 0.0000 62.0059 32.1867 176.5533 99 C 4.5188 8.4570 115.5950 57.7772 31.9195 174.6661 100 G 3.8032 8.7729 108.1975 48.2571 0.0000 175.6667 101 A 4.0392 7.9617 122.1870 55.2936 18.5133 179.3855 102 C 4.1800 8.0490 114.7114 63.0301 28.2543 176.3547 103 R 3.9786 8.0832 119.7356 59.2644 29.4730 178.9133 104 Q 4.0498 8.2184 119.4610 59.1968 28.8429 178.4772 105 V 3.7642 7.7702 118.4393 66.0090 31.8681 177.5982 106 M 4.7121 8.7596 118.9992 58.7747 31.9188 178.5780 107 R 4.8335 8.5441 120.4408 59.0142 29.9560 177.8860 108 E 3.9380 7.9605 118.1218 58.0809 29.4208 177.1479 109 F 4.8184 8.6988 116.8361 56.2196 40.1528 173.9646 110 G 4.4318 7.2572 105.8278 43.9300 0.0000 175.2760 111 T 4.7333 8.6325 109.2423 60.9866 70.3649 175.3387 112 N 4.5362 8.5070 119.2077 54.8822 39.8710 175.5437 113 W 4.7756 8.6613 114.7493 56.3913 29.1827 173.9347 114 P 4.6923 0.0000 0.0000 62.5673 32.8507 175.1017 115 V 4.4552 8.0465 121.4238 61.4473 34.2622 174.2916 116 Y 4.4421 9.4911 128.1960 57.2664 38.7359 174.7535 117 M 4.8627 8.7214 126.2585 54.7371 33.5395 176.1728 118 T 5.4824 8.4095 113.4384 59.9550 72.7540 172.9543 119 K 4.9593 8.6380 118.4842 54.0089 35.9801 176.5372 120 P 4.4939 0.0000 0.0000 65.0787 31.4604 177.4359 121 D 4.3326 7.9373 116.9624 55.6153 41.3005 176.8766 122 G 4.0793 8.6347 107.3724 45.3406 0.0000 173.7764 123 T 4.2537 7.7147 114.3505 62.3197 68.0974 172.1943 124 Y 5.6608 7.6508 123.3272 56.3574 41.3612 173.1337 125 I 4.5472 8.4257 119.1173 58.9183 41.5879 174.1701 126 V 4.7589 8.1497 126.1566 60.2040 34.1900 174.6501 127 M 4.9937 8.2272 122.3855 53.6905 36.7272 175.1952 128 T 4.3446 8.6684 112.6597 61.0170 70.2188 175.6668 129 V 3.3310 8.0807 122.2757 66.3621 31.0894 178.2550 130 Q 3.9700 8.1560 118.5428 59.2536 28.9688 177.8026 131 E 4.1014 7.8390 118.7107 59.1337 29.5349 178.9185 132 L 4.2700 7.7404 118.5579 55.9620 42.9418 177.0546 133 L 4.6962 7.5120 119.7512 52.1761 41.9110 173.3974 134 P 4.4006 0.0000 0.0000 63.7258 32.8137 177.8257 135 S 3.7307 8.5731 115.1312 59.1773 59.4670 172.2963 136 S 4.5273 7.7624 114.9384 58.2021 64.1958 173.5573 137 F 4.4283 8.6200 123.7904 57.5269 40.1204 174.9236 138 G 4.1070 7.8276 114.7361 43.6187 0.0000 171.3847 139 P 4.1880 0.0000 0.0000 65.2955 31.4661 178.7608 140 E 3.8728 8.1332 115.2251 59.5184 29.2076 177.8402 141 D 4.1905 7.5546 119.2634 54.8125 40.9327 176.9416 142 L 4.0407 8.0688 125.1756 54.6988 41.4235 179.6104 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 *13 E 8.54 4.32 0.00 2.01 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 2.13 1.88 0.00 *14 C 7.95 4.96 0.00 2.83 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 15 V 8.09 3.21 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 0.63 0.00 0.00 0.77 0.00 0.00 16 Q 8.21 3.95 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 17 Q 8.08 3.99 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.04 0.00 18 L 7.59 4.17 0.00 1.48 1.55 0.70 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.82 3.95 0.00 1.65 1.67 0.92 0.78 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 20 V 7.79 3.85 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 0.74 0.00 0.00 0.98 0.00 0.00 21 C 8.38 4.14 0.00 3.05 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 22 S 8.22 4.21 0.00 4.12 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 23 Q 7.71 3.95 0.00 2.38 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 24 E 8.43 3.95 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.65 0.00 25 A 8.01 4.03 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 26 K 7.71 4.08 0.00 1.99 2.00 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.39 7.81 27 Q 8.31 4.07 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 28 S 7.71 4.44 0.00 3.91 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 29 A 7.31 4.03 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 30 Y 8.77 4.58 0.00 3.06 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 31 C 7.59 4.96 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 3.87 0.00 1.51 1.77 0.00 2.65 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.06 0.00 33 Y 7.52 4.23 0.00 2.90 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 34 S 8.27 4.27 0.00 4.00 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 35 H 8.23 4.10 0.00 3.36 3.43 0.00 5.61 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.94 4.65 0.00 2.92 2.96 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 0.00 0.00 0.00 0.00 37 P 0.00 4.48 0.00 2.06 1.86 0.00 3.32 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 2.16 1.99 0.00 38 V 9.13 4.66 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 1.01 0.00 0.00 1.01 0.00 0.00 39 G 9.43 4.75 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 0.00 0.00 0.00 40 A 9.22 5.41 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 41 A 8.92 4.87 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 42 L 9.20 4.88 0.00 1.62 1.51 -0.30 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 43 L 9.14 5.09 0.00 1.75 1.61 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 44 T 9.24 4.79 4.86 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 1.45 0.00 0.00 45 Q 9.19 4.02 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 46 E 8.40 4.04 0.00 2.16 2.22 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 2.51 2.49 0.00 47 G 7.83 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.96 4.14 0.00 1.77 1.58 0.00 2.85 0.00 0.00 2.48 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.26 0.00 49 I 7.97 5.03 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.70 0.86 0.00 0.00 50 F 9.30 4.67 0.00 2.80 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 51 K 8.80 4.96 0.00 1.54 1.58 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.31 1.01 7.81 52 G 9.01 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 C 8.63 5.88 0.00 2.97 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 54 N 8.66 5.00 0.00 2.85 3.03 0.00 0.00 5.67 7.85 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 55 I 8.80 5.16 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.60 1.00 0.00 0.00 56 E 9.42 4.74 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 57 N 8.34 5.16 0.00 2.68 2.80 0.00 0.00 6.90 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 58 A 8.82 3.41 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 59 C 8.44 4.36 0.00 2.94 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 60 Y 8.42 4.24 0.00 2.92 2.91 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 61 P 0.00 4.31 0.00 2.05 2.15 0.00 3.70 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 2.03 2.16 0.00 62 L 8.31 4.46 0.00 1.69 1.71 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.78 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 0.00 0.00 0.00 64 I 7.97 4.65 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.22 1.03 0.00 0.00 65 C 8.70 4.78 0.00 2.96 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 66 A 8.62 4.63 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 67 E 8.13 3.93 0.00 2.09 2.03 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 2.41 2.48 0.00 68 R 7.94 3.98 0.00 1.85 2.02 0.00 3.36 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 69 T 8.15 3.86 4.44 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 1.23 0.00 0.00 70 A 8.11 3.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.92 3.19 1.87 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.63 0.78 0.00 0.00 72 Q 8.44 3.96 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 73 K 7.78 3.82 0.00 1.92 2.02 0.00 2.09 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.72 1.57 7.81 74 A 7.34 2.58 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 75 V 8.24 3.70 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 1.21 0.00 0.00 0.58 0.00 0.00 76 S 8.01 4.43 0.00 4.08 4.09 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 0.00 0.00 0.00 0.00 77 E 8.36 4.58 0.00 2.29 2.42 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 2.63 2.67 0.00 78 G 8.78 3.82 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 0.00 0.00 0.00 79 Y 8.02 4.33 0.00 2.99 2.94 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 80 K 8.15 3.81 0.00 1.53 1.73 0.00 1.99 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.15 1.27 7.81 81 D 7.00 3.70 0.00 2.57 2.37 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 82 F 8.46 4.24 0.00 1.77 2.22 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 *83 R 9.17 4.29 0.00 1.76 1.83 0.00 3.36 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.43 0.00 84 A 7.60 5.22 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.17 5.19 2.20 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.46 0.86 0.00 0.00 86 A 8.97 5.33 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 87 I 8.89 5.11 1.93 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 1.18 1.26 1.00 0.00 0.00 88 A 8.85 4.94 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 89 S 8.18 4.91 0.00 3.33 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 90 D 8.10 4.46 0.00 2.51 2.65 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 91 M 7.52 4.21 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.52 0.00 *92 Q 8.75 4.13 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.27 1.92 0.00 *93 D 7.78 4.75 0.00 2.66 2.49 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 *94 D 8.12 4.99 0.00 2.75 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.17 5.66 0.00 2.91 3.29 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.61 1.82 0.00 104 Q 8.22 4.05 0.00 2.33 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 105 V 7.77 3.76 2.32 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 1.15 0.00 0.00 1.06 0.00 0.00 106 M 8.76 4.71 0.00 1.99 2.29 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.60 0.00 107 R 8.54 4.83 0.00 1.94 2.26 0.00 3.25 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 108 E 7.96 3.94 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.47 0.00 109 F 8.70 4.82 0.00 3.32 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 0.00 110 G 7.26 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 0.00 0.00 0.00 0.00 111 T 8.63 4.73 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 1.28 0.00 0.00 112 N 8.51 4.54 0.00 2.87 3.00 0.00 0.00 6.96 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 0.00 113 W 8.66 4.78 0.00 3.62 3.25 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 0.00 114 P 0.00 4.69 0.00 1.95 2.17 0.00 4.13 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.16 0.00 115 V 8.05 4.46 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 0.87 0.00 0.00 0.49 0.00 0.00 116 Y 9.49 4.44 0.00 2.78 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 0.00 117 M 8.72 4.86 0.00 2.20 1.93 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 118 T 8.41 5.48 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 1.41 0.00 0.00 119 K 8.64 4.96 0.00 1.79 1.60 0.00 1.38 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 0.86 7.81 120 P 0.00 4.49 0.00 2.02 2.10 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.27 0.00 121 D 7.94 4.33 0.00 2.59 2.70 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 0.00 122 G 8.63 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.71 4.25 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 1.28 0.00 0.00 124 Y 7.65 5.66 0.00 3.26 3.09 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 0.00 0.00 0.00 0.00 125 I 8.43 4.55 0.56 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 1.28 1.47 0.27 0.00 0.00 126 V 8.15 4.76 1.50 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 0.72 0.00 0.00 0.39 0.00 0.00 127 M 8.23 4.99 0.00 1.79 1.80 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 2.39 2.38 0.00 128 T 8.67 4.34 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 1.22 0.00 0.00 129 V 8.08 3.33 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 1.01 0.00 0.00 -0.01 0.00 0.00 130 Q 8.16 3.97 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 131 E 7.84 4.10 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 132 L 7.74 4.27 0.00 1.80 1.66 0.85 0.82 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 0.00 133 L 7.51 4.70 0.00 1.54 1.51 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.40 0.00 2.22 2.02 0.00 3.97 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 1.98 1.95 0.00 135 S 8.57 3.73 0.00 3.78 3.80 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 0.00 136 S 7.76 4.53 0.00 4.03 4.17 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 0.00 137 F 8.62 4.43 0.00 3.02 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 0.00 138 G 7.83 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.19 0.00 2.10 2.04 0.00 3.53 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 2.00 2.17 0.00 140 E 8.13 3.87 0.00 2.00 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 2.13 2.20 0.00 141 D 7.55 4.19 0.00 1.95 2.49 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 0.00 142 L 8.07 4.04 0.00 1.78 1.50 0.92 0.91 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 * Residues marked with a * may have inaccurate shift predictions.