NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3170 8.2745 112.9222 60.9831 70.0880 173.7818 4 E 4.4713 8.8390 122.6063 55.7336 30.4822 174.1516 5 D 4.8062 8.2664 124.0007 53.5311 39.4315 177.3303 6 F 5.7644 7.9915 124.9649 55.3277 42.7767 173.3833 7 Y 4.3253 7.3338 123.1862 56.6263 42.2190 172.4581 8 L 4.9550 7.6516 127.4534 52.3097 46.2235 174.8863 9 R 4.9925 8.0568 122.5232 55.8529 33.6157 172.6157 10 Y 5.3642 8.5359 123.5126 56.9483 42.9474 172.8734 11 Y 4.8382 7.4499 122.9724 56.7446 43.1885 173.8228 12 V 4.3294 7.6793 126.7402 62.6458 33.9549 172.9502 13 G 4.5370 7.6110 113.6877 46.2289 0.0000 169.8116 14 H 5.1554 8.8627 119.7295 54.1141 32.5863 173.7475 15 K 4.5203 8.6171 127.2327 55.1398 30.6672 176.3664 16 G 4.0568 7.6172 111.5739 44.2006 0.0000 172.0990 17 K 4.0792 8.7438 117.4339 59.0207 32.1936 178.0915 18 F 4.3424 8.5299 115.6222 57.1755 38.8073 173.8296 19 G 3.7462 7.4317 107.6378 44.7856 0.0000 173.2642 20 H 5.2338 8.3085 118.5530 53.4676 28.7365 173.1929 21 E 4.5915 8.4041 126.0615 55.7715 31.2459 174.7409 22 F 4.8534 8.3973 118.9625 56.8663 42.0220 172.6364 23 L 4.5946 8.5019 123.8547 54.5692 45.2587 175.4437 24 E 5.3125 9.8916 125.3873 54.2376 33.7359 171.1063 25 F 5.7235 8.2304 119.6921 54.3622 41.9807 173.7435 26 E 5.2439 9.6393 119.8463 55.0635 33.8284 173.8124 27 F 4.9125 9.4495 126.0401 55.9226 40.6246 175.8702 28 R 4.6801 9.2837 124.0997 54.8747 30.9145 176.1877 29 P 4.4379 0.0000 0.0000 66.0789 31.3424 177.2962 30 D 4.6564 8.1799 113.9496 53.7159 39.6220 176.4747 31 G 3.9875 8.9336 108.9227 46.1287 0.0000 172.4324 32 K 3.7306 7.7358 120.4394 54.6270 33.5775 175.4178 33 L 4.6780 9.3671 131.5480 53.2230 41.9843 174.3920 34 R 4.5497 8.3389 121.0819 55.4431 31.7836 175.2026 35 Y 5.4613 9.3490 122.4385 56.1351 42.5694 173.6384 36 A 4.7350 8.4466 126.2020 49.4043 23.4187 174.6187 37 N 3.8230 7.9022 118.1320 53.2974 42.5954 173.4357 38 N 5.2333 6.9956 128.5424 51.3018 39.7864 170.8656 39 S 5.0267 8.6831 125.1102 56.7274 65.4084 171.4617 40 N 4.8844 8.8456 121.9823 50.3370 38.1496 174.2876 *41 Y 4.0325 8.2224 123.4532 59.2465 37.4783 176.2459 *45 T 4.1757 7.7048 114.5691 63.9072 70.3092 172.8247 46 M 4.6155 8.5600 125.3184 53.8921 34.7633 175.0683 47 I 4.1169 8.0053 129.3225 60.1251 37.7042 175.5773 48 R 4.2350 8.2144 126.0321 55.8616 31.3354 176.3638 49 K 4.4182 8.5196 119.4559 55.7429 37.0803 174.6374 50 E 5.2998 8.3984 120.7109 55.8558 33.2182 174.2655 51 A 4.4664 8.0346 121.0045 51.6615 22.5595 175.5905 52 F 5.4328 9.0530 119.3352 55.6900 39.4674 176.4671 53 V 4.0239 8.3208 117.4498 60.9902 32.5179 176.2073 54 H 4.4053 8.9450 122.4275 55.9258 30.8818 175.9151 55 Q 3.8770 8.2316 125.0438 59.6145 28.8778 179.5518 56 S 4.1370 8.5854 114.5659 61.9313 62.6439 176.5789 57 V 3.5911 8.1618 121.7275 65.9856 31.2492 177.9316 58 M 4.0165 8.1332 118.5170 58.2582 31.7522 178.5646 59 E 3.7442 7.8543 118.2148 59.3729 29.6301 179.1123 60 E 3.9280 8.3166 121.0157 59.8971 29.5219 179.8230 61 L 3.8062 7.7243 122.3083 59.4148 40.7514 181.4073 62 K 3.9853 7.5249 119.2589 59.1653 32.0307 179.1379 63 R 3.8145 8.1433 119.2726 59.8234 29.8000 178.2920 64 I 3.6568 7.8460 119.3963 64.5795 36.8375 178.5425 65 I 3.7441 7.2334 119.0097 64.5335 37.3281 178.3661 66 I 3.8894 8.1441 120.9904 64.2605 36.6492 178.0671 67 D 4.5736 8.0488 119.1712 56.3803 40.8799 177.9699 68 S 4.4178 7.7698 112.6944 57.9799 63.6811 173.7062 69 E 3.8605 7.8125 120.1874 57.5722 27.5901 175.5979 70 I 4.4137 7.5376 115.1243 61.9248 37.7850 175.8766 71 M 4.4784 7.9079 117.6073 56.0580 32.9369 177.0605 72 Q 4.2507 7.8722 117.8183 58.0686 29.4813 176.3986 73 E 4.1371 8.2749 118.8506 57.5682 30.1498 176.1252 74 D 3.7405 7.3315 117.3697 51.4956 43.6719 175.4674 75 D 3.3700 6.8943 121.8408 53.1464 39.9312 178.6240 76 L 3.7927 7.3128 121.0954 57.1243 40.6209 181.3572 77 P 4.5435 0.0000 0.0000 63.8500 32.0260 176.3853 78 W 4.5708 7.3683 118.6711 56.3258 30.1390 174.3176 79 P 4.5374 0.0000 0.0000 61.8786 31.7087 174.7994 80 P 4.9294 0.0000 0.0000 61.4822 32.6420 174.3037 81 P 4.4742 0.0000 0.0000 62.6180 31.9619 175.4983 82 D 5.0025 8.4813 122.6030 51.4272 42.5317 177.4795 83 R 3.9645 8.7312 117.3016 59.7541 29.4052 177.2373 84 V 3.6732 7.3536 109.2701 64.0728 31.9363 175.8004 85 G 4.1699 8.1383 104.5927 46.0281 0.0000 172.1043 86 R 4.7833 8.1319 119.2123 55.8306 33.3675 173.6987 87 Q 5.0046 9.8157 127.4997 54.2641 31.6018 174.7874 88 E 5.4643 9.2669 122.2733 53.5054 34.1175 174.6463 89 L 5.2732 8.7431 126.6824 54.3917 45.9337 175.0594 90 E 5.3493 9.0203 123.2565 53.9542 33.2274 171.2159 91 I 4.8137 8.1903 125.6542 58.6853 41.3670 175.2143 92 V 4.9205 8.4035 124.1622 61.7906 35.1653 173.7783 93 I 5.0054 8.8330 128.3870 60.1791 40.9608 176.4824 94 G 3.9939 10.4883 123.9353 47.5880 0.0000 173.9869 95 D 4.9939 9.0956 119.1037 52.2005 40.6337 176.1130 96 E 4.6847 8.0567 117.4468 55.5702 31.5705 173.6619 97 H 5.6075 8.9115 123.7080 54.1417 32.5947 172.6846 98 I 4.8224 9.4023 118.3789 59.6410 41.6253 174.1808 99 S 4.9789 8.3771 115.2141 57.8240 65.0467 173.7661 100 F 6.1101 9.4947 126.0102 55.5362 42.6681 174.6302 101 T 4.9768 8.4137 115.8783 62.7430 71.9153 173.5016 102 T 5.5610 9.1662 121.9431 63.6114 73.8828 172.4234 103 S 5.0277 8.5674 119.0035 57.0714 65.6161 174.6944 104 K 4.3419 8.4773 124.3239 56.0889 32.5313 177.0649 105 T 4.2196 7.7973 115.7497 64.5777 71.3192 174.3296 *108 L 4.2876 8.6101 122.4109 55.7066 43.4598 176.1386 109 V 3.8454 7.7318 119.7931 66.5563 31.5397 182.8063 110 D 4.5519 7.9819 120.0570 58.5384 39.8465 181.0943 111 V 3.8728 7.5759 118.8540 65.6756 31.3945 177.8049 112 N 4.3679 7.5283 117.5614 56.9840 38.5754 177.9670 113 R 4.1729 8.2232 122.4863 60.0797 29.7137 179.5729 114 S 4.5787 7.0743 115.5074 58.6881 62.9337 180.3533 115 K 3.8817 8.6951 124.5493 58.7817 31.5852 179.5888 116 D 4.9733 7.8675 129.2527 52.6283 41.4013 176.9032 117 P 4.6249 0.0000 0.0000 65.6229 31.4408 178.9447 118 E 4.3233 8.2358 117.8717 60.4616 29.7409 183.0022 119 G 4.1806 7.9176 104.7773 48.0129 0.0000 175.8519 120 L 3.2636 7.4007 122.0896 57.0407 41.3172 179.8390 121 R 3.9935 8.4069 118.5453 59.2543 29.9084 178.7360 122 C 4.1628 7.8657 118.6271 62.3362 31.6368 175.1608 123 F 4.5144 8.2399 122.3592 61.6794 38.7088 176.5767 124 Y 4.0588 8.7097 116.9344 59.3469 37.5271 177.2986 125 Y 4.0098 7.2516 118.9620 60.2113 38.1542 177.4319 126 L 3.8770 8.0375 121.5417 57.8938 42.1423 178.7807 127 V 3.2002 7.4765 118.2621 66.3167 31.1909 178.0662 128 Q 3.6973 7.4911 117.0514 59.0589 28.1426 178.5511 129 D 4.1734 7.6113 119.8690 56.8940 40.6591 178.6669 130 L 3.8534 7.8701 119.7379 56.8654 41.9341 178.8334 131 K 3.1043 8.3758 120.6865 59.6152 32.1639 178.2813 132 C 3.8913 7.8342 118.7852 62.0967 31.2211 175.4465 133 L 3.7971 6.9773 121.6740 58.1513 41.8801 179.0511 134 V 3.4413 7.4850 118.1582 65.7627 31.1119 178.0355 135 F 4.3477 7.7523 117.7366 60.5671 38.2922 177.9499 136 S 4.1199 7.9830 114.3651 61.5465 62.4417 176.3006 137 L 3.7638 8.2161 122.0255 58.0626 41.3030 179.6310 138 I 3.9100 7.8595 119.1368 64.4859 37.0802 178.6978 139 G 3.8542 8.3903 104.6781 46.8408 0.0000 174.1814 140 L 4.5784 7.0427 119.8050 56.0986 43.7667 177.8361 141 H 4.0876 7.7566 117.0778 58.0900 29.7118 175.6382 142 F 4.9072 7.6098 115.4230 56.1415 40.7522 174.9562 143 K 4.0095 8.9420 120.7462 57.3574 29.0413 176.1459 144 I 4.0293 7.5794 114.0362 59.9893 38.7033 177.7065 145 K 4.4797 8.4815 126.5084 51.3667 33.8629 172.3354 146 P 4.6003 0.0000 0.0000 64.4382 32.3104 177.0491 147 I 4.1792 7.9082 116.4614 60.2143 36.5082 175.8664 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 3 T 8.27 4.32 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 1.21 0.00 0.00 4 E 8.84 4.47 0.00 1.81 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 2.15 1.95 0.00 5 D 8.27 4.81 0.00 2.36 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.99 5.76 0.00 2.96 3.02 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 7 Y 7.33 4.33 0.00 2.85 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 8 L 7.65 4.95 0.00 1.48 1.28 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.06 4.99 0.00 1.51 1.49 0.00 3.27 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 10 Y 8.54 5.36 0.00 2.70 1.56 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 11 Y 7.45 4.84 0.00 2.95 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 12 V 7.68 4.33 1.96 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 0.73 0.00 0.00 0.45 0.00 0.00 13 G 7.61 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.86 5.16 0.00 3.53 3.20 0.00 5.86 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.62 4.52 0.00 1.76 1.71 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.71 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.24 1.28 7.81 16 G 7.62 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.74 4.08 0.00 2.02 1.92 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.49 7.81 18 F 8.53 4.34 0.00 2.93 3.15 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 19 G 7.43 3.75 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 20 H 8.31 5.23 0.00 3.03 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.40 4.59 0.00 2.19 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 22 F 8.40 4.85 0.00 3.41 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 23 L 8.50 4.59 0.00 1.82 1.72 1.54 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 24 E 9.89 5.31 0.00 1.63 1.75 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 2.13 1.95 0.00 25 F 8.23 5.72 0.00 3.32 3.75 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 26 E 9.64 5.24 0.00 2.03 1.84 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 2.28 2.31 0.00 27 F 9.45 4.91 0.00 2.93 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 9.28 4.68 0.00 1.99 1.91 0.00 3.15 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 29 P 0.00 4.44 0.00 2.09 2.20 0.00 3.72 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 1.97 2.27 0.00 30 D 8.18 4.66 0.00 2.99 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 31 G 8.93 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.74 3.73 0.00 1.63 1.41 0.00 1.49 0.00 0.00 1.46 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.96 0.21 7.81 33 L 9.37 4.68 0.00 1.20 1.45 -0.15 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.34 4.55 0.00 1.89 2.01 0.00 2.80 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 35 Y 9.35 5.46 0.00 3.01 2.85 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 36 A 8.45 4.73 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 37 N 7.90 3.82 0.00 2.51 2.14 0.00 0.00 7.05 6.71 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 38 N 7.00 5.23 0.00 2.40 2.68 0.00 0.00 6.84 8.98 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 39 S 8.68 5.03 0.00 3.36 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 40 N 8.85 4.88 0.00 2.68 2.61 0.00 0.00 6.61 7.55 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 *41 Y 8.22 4.03 0.00 2.32 2.26 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 *45 T 7.70 4.18 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 1.17 0.00 0.00 46 M 8.56 4.62 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 47 I 8.01 4.12 1.68 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.46 0.80 0.00 0.00 48 R 8.21 4.23 0.00 1.61 1.78 0.00 3.38 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 49 K 8.52 4.42 0.00 1.96 1.65 0.00 0.61 0.00 0.00 0.76 0.00 0.00 2.48 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.18 1.56 7.81 50 E 8.40 5.30 0.00 1.83 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 2.20 2.15 0.00 51 A 8.03 4.47 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 9.05 5.43 0.00 2.97 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 53 V 8.32 4.02 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 0.66 0.00 0.00 1.17 0.00 0.00 54 H 8.95 4.41 0.00 3.20 3.18 0.00 5.71 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 55 Q 8.23 3.88 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 56 S 8.59 4.14 0.00 4.08 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 57 V 8.16 3.59 2.31 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 1.16 0.00 0.00 0.98 0.00 0.00 58 M 8.13 4.02 0.00 1.96 2.23 0.00 0.00 0.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.90 0.00 59 E 7.85 3.74 0.00 2.13 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 2.51 2.30 0.00 60 E 8.32 3.93 0.00 2.03 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 2.27 2.41 0.00 61 L 7.72 3.81 0.00 1.66 1.69 0.92 0.50 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 62 K 7.52 3.99 0.00 1.75 1.69 0.00 0.84 0.00 0.00 1.16 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.93 0.25 7.81 63 R 8.14 3.81 0.00 1.75 2.01 0.00 3.07 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 64 I 7.85 3.66 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.91 0.86 0.00 0.00 65 I 7.23 3.74 2.06 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 1.52 0.48 0.96 0.00 0.00 66 I 8.14 3.89 1.85 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 1.52 1.43 0.91 0.00 0.00 67 D 8.05 4.57 0.00 2.71 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 68 S 7.77 4.42 0.00 4.01 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.81 3.86 0.00 2.26 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 0.00 2.28 2.25 0.00 70 I 7.54 4.41 2.03 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.17 1.04 0.00 0.00 71 M 7.91 4.48 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 72 Q 7.87 4.25 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 73 E 8.27 4.14 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 74 D 7.33 3.74 0.00 2.63 2.36 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 75 D 6.89 3.37 0.00 2.64 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.31 3.79 0.00 1.68 1.66 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.54 0.00 2.26 2.21 0.00 3.34 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.00 0.00 78 W 7.37 4.57 0.00 3.12 3.06 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 0.00 0.00 0.00 0.00 79 P 0.00 4.54 0.00 2.09 2.00 0.00 3.60 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 2.07 2.09 0.00 80 P 0.00 4.93 0.00 2.09 2.11 0.00 3.80 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 2.02 0.00 81 P 0.00 4.47 0.00 2.09 2.14 0.00 3.65 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 2.25 0.00 82 D 8.48 5.00 0.00 2.84 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 83 R 8.73 3.96 0.00 1.85 1.94 0.00 3.26 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.27 0.00 84 V 7.35 3.67 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 0.75 0.00 0.00 0.95 0.00 0.00 85 G 8.14 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 0.00 0.00 0.00 86 R 8.13 4.78 0.00 1.77 1.83 0.00 3.15 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 87 Q 9.82 5.00 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 88 E 9.27 5.46 0.00 1.96 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 2.34 2.20 0.00 89 L 8.74 5.27 0.00 2.35 1.74 1.09 1.27 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 90 E 9.02 5.35 0.00 1.68 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 2.12 1.97 0.00 91 I 8.19 4.81 1.82 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 0.79 0.95 0.00 0.00 92 V 8.40 4.92 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 0.98 0.00 0.00 0.81 0.00 0.00 93 I 8.83 5.01 1.96 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 1.51 1.25 0.98 0.00 0.00 94 G 10.49 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 9.10 4.99 0.00 2.68 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.06 4.68 0.00 2.17 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 0.00 2.30 2.30 0.00 97 H 8.91 5.61 0.00 3.15 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 9.40 4.82 1.74 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.28 0.95 0.00 0.00 99 S 8.38 4.98 0.00 3.88 3.76 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 0.00 100 F 9.49 6.11 0.00 2.79 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 0.00 101 T 8.41 4.98 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 1.27 0.00 0.00 102 T 9.17 5.56 4.48 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 1.36 0.00 0.00 103 S 8.57 5.03 0.00 4.07 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 0.00 104 K 8.48 4.34 0.00 1.56 1.66 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.04 7.81 105 T 7.80 4.22 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 *108 L 8.61 4.29 0.00 1.60 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.73 3.85 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 110 D 7.98 4.55 0.00 2.77 2.62 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 0.00 0.00 0.00 111 V 7.58 3.87 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 0.93 0.00 0.00 0.74 0.00 0.00 112 N 7.53 4.37 0.00 2.96 2.85 0.00 0.00 6.94 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 0.00 113 R 8.22 4.17 0.00 1.89 1.84 0.00 3.26 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 114 S 7.07 4.58 0.00 3.61 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 0.00 115 K 8.70 3.88 0.00 1.76 1.77 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.05 7.81 116 D 7.87 4.97 0.00 2.64 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 0.00 117 P 0.00 4.62 0.00 2.23 2.55 0.00 3.68 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 118 E 8.24 4.32 0.00 2.00 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 2.31 1.94 0.00 119 G 7.92 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.40 3.26 0.00 1.63 1.51 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.41 3.99 0.00 1.73 1.67 0.00 3.06 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 122 C 7.87 4.16 0.00 3.05 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 0.00 123 F 8.24 4.51 0.00 3.36 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 0.00 124 Y 8.71 4.06 0.00 3.05 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 0.00 125 Y 7.25 4.01 0.00 3.00 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 0.00 126 L 8.04 3.88 0.00 1.79 1.77 0.89 0.77 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 0.00 127 V 7.48 3.20 1.81 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 0.59 0.00 0.00 0.30 0.00 0.00 128 Q 7.49 3.70 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 129 D 7.61 4.17 0.00 2.73 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 0.00 130 L 7.87 3.85 0.00 1.67 1.66 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.38 3.10 0.00 1.78 1.34 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.25 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.15 1.42 7.81 132 C 7.83 3.89 0.00 3.10 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 0.00 133 L 6.98 3.80 0.00 1.60 1.60 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.48 3.44 1.14 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 0.39 0.00 0.00 0.24 0.00 0.00 135 F 7.75 4.35 0.00 3.16 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 0.00 136 S 7.98 4.12 0.00 3.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.22 3.76 0.00 1.80 1.65 1.05 0.79 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 0.00 138 I 7.86 3.91 1.78 0.00 0.00 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 1.45 0.43 1.23 0.00 0.00 139 G 8.39 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 0.00 140 L 7.04 4.58 0.00 1.71 1.64 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 141 H 7.76 4.09 0.00 2.75 1.65 0.00 5.89 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 F 7.61 4.91 0.00 3.08 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 0.00 143 K 8.94 4.01 0.00 1.95 1.98 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.49 7.81 144 I 7.58 4.03 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 1.27 0.38 0.91 0.00 0.00 145 K 8.48 4.48 0.00 1.76 1.64 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 0.97 7.81 146 P 0.00 4.60 0.00 2.08 2.02 0.00 3.11 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 1.59 1.62 0.00 147 I 7.91 4.18 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 1.27 0.82 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.