NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0651 8.0544 120.3953 63.2152 33.4839 175.9765 7 S 4.4579 8.1102 120.1337 55.3977 63.2195 173.0680 8 A 4.0770 8.0864 127.6954 55.4775 19.5464 178.9702 9 S 4.2362 8.0062 111.9580 61.9645 63.0645 176.6671 10 S 4.4293 8.2410 118.8832 59.7149 62.5294 175.6500 11 R 4.2283 8.0025 117.6670 56.5519 29.9283 178.1073 12 W 4.2281 7.7408 128.4069 60.2210 29.3917 178.0023 13 L 4.0101 8.6636 119.1568 57.4180 40.9819 178.8907 14 E 4.4401 7.9903 121.4950 59.2036 29.7206 179.1338 *15 K 4.1281 7.6510 123.3977 59.2114 31.7063 182.3010 16 I 3.7414 7.6816 119.7732 64.6397 36.9262 178.5160 17 R 3.9833 7.3052 117.5510 59.3140 30.0755 179.0389 18 K 2.9562 7.6478 119.1730 58.6995 32.0453 178.5749 19 W 3.9712 8.0744 128.6698 60.4846 30.6359 177.2814 20 Y 2.8182 8.3733 119.7156 60.4482 38.1244 176.9677 21 Y 3.7156 8.1963 120.9050 61.1403 38.5880 178.3323 22 N 4.0947 7.6079 114.8200 55.9919 38.6209 177.0516 23 A 3.6451 6.8317 121.3486 54.5733 18.3716 179.0708 24 A 3.5715 7.2999 118.9978 53.2178 18.1867 178.6707 25 G 3.4367 6.8757 103.7435 47.2069 0.0000 175.6354 26 F 4.1521 6.7111 118.1754 59.3801 37.6639 176.8154 27 N 4.7417 7.2162 118.3546 55.1410 36.7430 177.1398 28 K 2.6161 7.0937 120.5412 58.0435 31.4075 178.0993 29 L 4.5536 7.7658 118.0279 54.0258 41.6117 178.1785 30 G 4.0289 7.7922 106.1783 45.6130 0.0000 174.5496 31 L 4.3035 7.2571 118.9737 54.7232 42.5385 176.1297 32 M 5.1614 8.3761 118.7765 52.4737 35.0611 177.1587 33 R 3.1744 8.9093 122.0365 59.7476 30.1230 178.5452 34 D 4.3699 7.7812 114.2899 56.2853 40.8948 177.1082 35 D 4.5097 7.9143 118.8752 56.2729 40.9760 177.1472 36 T 4.1675 7.2437 107.5028 61.2635 69.5849 175.0747 37 I 3.6146 7.3650 122.7438 61.2381 38.4532 174.5096 38 H 4.2013 8.5988 126.9645 55.9301 30.0451 174.8453 39 E 4.0638 8.5057 127.1463 56.1616 28.6400 175.9947 40 N 4.9428 8.0109 124.1458 51.1789 41.2921 174.4182 41 D 4.3073 8.4739 118.6941 58.1248 40.9213 178.3071 42 D 4.3636 8.2004 118.7410 57.4935 40.8567 179.1189 43 V 3.5853 8.1207 118.5041 65.9931 31.5847 178.1551 44 K 4.0514 8.6201 118.5855 59.4374 31.8132 178.9817 45 E 3.8968 8.5365 119.6078 59.2313 29.3964 178.7562 46 A 4.0707 7.8698 119.6909 55.1779 18.7937 179.1918 47 I 3.8363 8.3494 118.7781 64.6297 36.9369 178.5907 48 R 3.8607 7.6778 118.5632 59.3820 30.0676 178.2710 49 R 4.0867 7.6720 115.2346 56.5050 30.6143 177.0878 50 L 3.4610 6.7970 119.1647 53.4601 42.4148 175.7902 51 P 4.5077 0.0000 0.0000 62.0571 33.5907 176.9930 52 E 3.9318 8.7431 119.0722 59.6050 29.3345 178.5614 53 N 4.2835 8.1753 116.2136 56.1639 37.1840 176.9696 54 L 3.7665 7.7746 121.0532 57.2870 41.8807 178.4291 55 Y 3.8586 7.9145 119.4328 60.8321 38.7101 177.9622 56 D 4.3621 8.7155 119.8523 57.6471 41.1151 178.5347 57 D 4.3762 8.1491 119.2947 57.2557 40.7803 178.7665 58 R 3.7145 8.0608 119.4920 59.5559 29.9954 178.5184 59 V 3.4170 7.3287 117.7990 66.1170 31.3012 177.7832 60 F 4.1357 8.0429 119.7378 61.1675 39.2010 177.4442 61 R 3.7132 7.8767 117.4418 59.2660 29.9134 179.0889 62 I 3.6055 7.6391 119.5977 63.9964 36.9810 178.4057 63 K 3.7564 8.0383 120.6445 59.5372 32.0532 178.8185 64 R 3.6129 7.5999 118.9317 59.0796 29.7825 178.2644 65 A 3.8983 8.4012 120.8198 55.3368 18.4413 179.7629 66 L 3.9144 8.3403 117.6362 57.4894 41.5815 179.3192 67 D 4.2195 8.3644 118.7635 57.3024 41.2546 178.1657 68 L 3.9463 7.9513 119.4059 58.0001 41.4817 179.4222 69 S 4.0849 8.0982 111.9495 61.6358 62.5084 175.8206 70 M 4.1666 7.7987 120.7982 58.3721 31.9905 177.9467 71 R 4.1079 7.8939 113.2809 56.3609 29.8508 175.9921 72 Q 3.4376 7.8345 116.9552 57.7973 26.7305 172.6334 73 Q 4.9147 7.9627 114.8523 54.0307 32.5153 174.8141 74 I 4.7402 8.0132 112.6105 58.9031 40.9960 175.0430 75 L 4.4579 8.8966 122.7090 53.5660 42.3464 175.7458 76 P 4.2808 0.0000 0.0000 62.6450 32.3690 177.4499 77 K 2.0000 8.2670 121.7481 58.6470 32.1432 178.9585 78 E 3.8347 7.6997 115.5625 58.7653 29.6706 177.3343 79 Q 4.4348 7.3954 116.2417 55.3409 29.0840 175.8969 80 W 4.8157 7.5606 118.1862 56.6346 30.0466 175.9610 81 T 4.3301 8.5439 117.4453 63.3362 68.8033 174.5190 82 K 4.6843 8.6069 125.7686 55.5415 33.3419 177.2077 83 Y 3.0743 8.6906 123.6096 60.5715 38.8909 178.5028 84 E 3.8544 8.1481 118.0401 59.3162 29.6973 177.3897 85 E 4.2039 7.6931 114.9709 56.5024 29.1232 176.5512 86 D 4.5490 7.4879 119.4264 53.1611 40.0389 175.1539 87 K 4.4777 8.4410 126.4672 56.0898 32.6548 177.9929 88 S 4.5501 8.5185 122.6927 57.7511 62.2662 175.1792 89 Y 4.3563 8.1804 119.3169 59.8027 38.1815 177.8977 90 L 4.3226 7.2377 121.4413 57.2192 42.2113 178.0575 91 E 3.9287 8.0358 119.0696 59.2163 29.6203 177.8739 92 P 4.3226 0.0000 0.0000 65.9610 31.1339 178.0414 93 Y 4.0480 7.6957 116.0362 60.8965 37.9173 177.9847 94 L 4.0516 8.1952 121.3007 57.7652 42.1775 178.7349 95 K 3.9017 8.5951 120.2525 59.5520 32.0993 178.4163 96 E 3.9892 8.1412 119.2280 59.0362 29.4322 178.9580 97 V 3.6589 7.7024 118.4318 65.9404 31.5446 178.1836 98 I 3.7489 7.8405 119.7356 64.2462 36.8160 178.4118 99 R 3.9104 8.1271 119.7245 59.2084 29.8063 178.5407 100 E 3.9684 8.2465 118.6670 59.3424 29.4645 179.1346 101 R 3.9323 8.2794 119.0438 59.4621 30.0473 178.7620 102 K 4.0168 8.4195 118.5138 59.1869 31.9074 178.9856 103 E 4.0366 8.1171 119.6950 59.1908 29.4829 179.1132 104 R 3.9925 7.8166 117.7502 59.5430 30.0271 178.9823 105 E 4.0846 8.2737 116.8934 59.2015 29.5067 178.7796 106 E 4.1309 8.4872 119.8621 58.9132 29.2503 178.7547 107 W 3.7102 8.6483 119.1837 59.3965 28.9242 178.1917 108 A 4.2158 8.4626 119.8738 54.2727 17.8129 179.1792 109 K 4.1434 7.4679 117.0273 58.4303 32.4447 177.0428 110 K 4.0528 7.4533 121.4070 56.9593 32.6645 176.5596 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 6 V 8.05 4.07 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 0.96 0.00 0.00 0.94 0.00 0.00 7 S 8.11 4.46 0.00 3.95 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 8 A 8.09 4.08 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 9 S 8.01 4.24 0.00 4.12 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.24 4.43 0.00 3.93 4.01 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 11 R 8.00 4.23 0.00 2.13 2.23 0.00 2.82 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 12 W 7.74 4.23 0.00 3.57 3.35 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 13 L 8.66 4.01 0.00 1.75 1.77 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.99 4.44 0.00 2.47 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 2.39 2.50 0.00 *15 K 7.65 4.13 0.00 1.78 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.35 7.81 16 I 7.68 3.74 1.69 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 0.66 -0.36 0.88 0.00 0.00 17 R 7.31 3.98 0.00 2.04 2.08 0.00 3.22 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 18 K 7.65 2.96 0.00 1.35 1.55 0.00 1.55 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.00 0.93 7.81 19 W 8.07 3.97 0.00 3.40 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.37 2.82 0.00 3.11 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 21 Y 8.20 3.72 0.00 3.20 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 22 N 7.61 4.09 0.00 2.82 2.69 0.00 0.00 7.10 6.78 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 23 A 6.83 3.65 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.30 3.57 0.55 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 0.00 0.00 25 G 6.88 3.44 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 0.00 26 F 6.71 4.15 0.00 3.12 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 27 N 7.22 4.74 0.00 3.31 2.92 0.00 0.00 6.75 6.80 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 28 K 7.09 2.62 0.00 1.49 1.37 0.00 1.09 0.00 0.00 1.18 0.00 0.00 2.61 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.21 7.81 29 L 7.77 4.55 0.00 1.88 1.61 0.86 0.98 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 30 G 7.79 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.26 4.30 0.00 1.67 1.59 0.88 0.75 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 32 M 8.38 5.16 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.74 0.00 33 R 8.91 3.17 0.00 2.12 2.06 0.00 3.17 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 34 D 7.78 4.37 0.00 2.01 2.17 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 35 D 7.91 4.51 0.00 2.74 2.68 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 36 T 7.24 4.17 3.98 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 0.60 0.00 0.00 37 I 7.36 3.61 1.78 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 1.27 0.78 0.88 0.00 0.00 38 H 8.60 4.20 0.00 3.14 3.20 0.00 5.78 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.51 4.06 0.00 1.91 1.85 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 2.28 2.26 0.00 40 N 8.01 4.94 0.00 2.98 2.97 0.00 0.00 6.17 8.07 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 41 D 8.47 4.31 0.00 2.71 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 42 D 8.20 4.36 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 43 V 8.12 3.59 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 0.88 0.00 0.00 1.00 0.00 0.00 44 K 8.62 4.05 0.00 2.03 1.85 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.56 7.81 45 E 8.54 3.90 0.00 2.14 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 0.00 2.32 2.39 0.00 46 A 7.87 4.07 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 47 I 8.35 3.84 2.06 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 1.70 1.20 1.09 0.00 0.00 48 R 7.68 3.86 0.00 1.98 2.18 0.00 3.23 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 49 R 7.67 4.09 0.00 1.96 1.99 0.00 3.48 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 50 L 6.80 3.46 0.00 1.64 1.50 1.09 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.51 0.00 2.42 2.22 0.00 3.59 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 52 E 8.74 3.93 0.00 2.09 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 2.39 2.64 0.00 53 N 8.18 4.28 0.00 2.94 3.07 0.00 0.00 6.20 6.67 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 54 L 7.77 3.77 0.00 1.81 1.59 1.09 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 7.91 3.86 0.00 3.01 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 56 D 8.72 4.36 0.00 2.90 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 57 D 8.15 4.38 0.00 2.68 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 58 R 8.06 3.71 0.00 1.69 1.79 0.00 3.19 0.00 0.00 3.00 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.85 0.00 59 V 7.33 3.42 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 1.00 0.00 0.00 0.43 0.00 0.00 60 F 8.04 4.14 0.00 3.20 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.88 3.71 0.00 2.05 1.92 0.00 3.34 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 62 I 7.64 3.61 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.45 0.84 0.00 0.00 63 K 8.04 3.76 0.00 1.83 1.68 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.39 7.81 64 R 7.60 3.61 0.00 1.10 1.67 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 65 A 8.40 3.90 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.34 3.91 0.00 1.70 1.69 0.87 0.94 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 67 D 8.36 4.22 0.00 2.76 2.80 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 68 L 7.95 3.95 0.00 1.69 1.88 0.90 0.66 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 69 S 8.10 4.08 0.00 3.82 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 70 M 7.80 4.17 0.00 2.31 2.01 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 71 R 7.89 4.11 0.00 2.02 2.03 0.00 3.41 0.00 0.00 3.22 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 72 Q 7.83 3.44 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.71 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 73 Q 7.96 4.91 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 74 I 8.01 4.74 1.97 0.00 0.00 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 1.39 0.79 0.81 0.00 0.00 75 L 8.90 4.46 0.00 1.97 1.81 1.08 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.28 0.00 2.12 1.98 0.00 3.67 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 2.14 2.12 0.00 77 K 8.27 2.00 0.00 1.15 1.26 0.00 1.43 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.21 7.81 78 E 7.70 3.83 0.00 2.04 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 2.18 2.21 0.00 79 Q 7.40 4.43 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 80 W 7.56 4.82 0.00 3.35 3.10 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 81 T 8.54 4.33 4.56 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 1.38 0.00 0.00 82 K 8.61 4.68 0.00 1.87 2.00 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.49 7.81 83 Y 8.69 3.07 0.00 2.34 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 84 E 8.15 3.85 0.00 1.98 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 2.36 2.46 0.00 85 E 7.69 4.20 0.00 2.10 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 2.35 2.26 0.00 86 D 7.49 4.55 0.00 2.82 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.44 4.48 0.00 1.94 1.91 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.64 1.43 7.81 88 S 8.52 4.55 0.00 3.83 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 89 Y 8.18 4.36 0.00 3.23 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 90 L 7.24 4.32 0.00 1.31 1.51 0.86 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.04 3.93 0.00 2.18 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 0.00 2.31 2.31 0.00 92 P 0.00 4.32 0.00 1.91 2.16 0.00 3.58 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 1.74 1.92 0.00 93 Y 7.70 4.05 0.00 3.21 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 94 L 8.20 4.05 0.00 1.80 1.81 0.97 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.60 3.90 0.00 2.00 1.86 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 96 E 8.14 3.99 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 97 V 7.70 3.66 2.23 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 1.15 0.00 0.00 1.01 0.00 0.00 98 I 7.84 3.75 2.00 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 1.42 0.52 0.92 0.00 0.00 99 R 8.13 3.91 0.00 1.99 2.15 0.00 3.34 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 100 E 8.25 3.97 0.00 2.33 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 0.00 2.33 2.39 0.00 101 R 8.28 3.93 0.00 2.03 2.05 0.00 3.17 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 102 K 8.42 4.02 0.00 2.01 1.87 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.65 7.81 103 E 8.12 4.04 0.00 2.06 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 0.00 2.38 2.55 0.00 104 R 7.82 3.99 0.00 2.13 2.00 0.00 3.20 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 105 E 8.27 4.08 0.00 2.17 2.05 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 2.37 2.35 0.00 106 E 8.49 4.13 0.00 2.37 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 2.32 2.37 0.00 107 W 8.65 3.71 0.00 3.71 3.34 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 0.00 108 A 8.46 4.22 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.47 4.14 0.00 1.87 1.83 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.65 7.81 110 K 7.45 4.05 0.00 1.68 1.57 0.00 1.17 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 0.87 7.81 * Residues marked with a * may have inaccurate shift predictions.