NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.3875 8.1133 121.0719 56.3614 31.9014 173.7118 4 Y 5.0600 9.0305 124.4659 55.3612 40.9289 173.2946 5 L 4.4127 9.2573 127.2593 54.2538 43.6939 175.2832 6 V 4.5301 9.0769 128.7158 61.6136 33.0633 174.8346 7 V 4.7971 8.7645 129.8373 61.9479 32.2591 174.3536 8 A 4.6216 8.4944 127.4568 52.4760 22.8967 174.1833 9 H 4.9755 8.8308 116.3221 57.3874 32.8083 175.5927 10 R 3.7471 7.8700 121.9910 59.1554 30.8807 177.8168 11 T 4.2369 7.6150 105.7478 61.4068 68.9324 176.2106 12 A 3.9666 8.0202 129.3685 55.5117 18.4366 180.2200 13 K 4.4305 7.7689 115.0036 54.8029 32.6575 182.0949 14 S 4.3433 7.6294 114.5616 58.7073 64.7438 173.6657 15 P 4.5580 0.0000 0.0000 64.9268 31.1334 178.8833 16 E 3.8882 8.0603 117.3062 59.2631 29.3478 178.9556 17 L 3.8246 7.5427 118.8537 57.9305 42.1068 178.5572 18 A 3.8405 7.6523 120.4559 55.2679 18.3213 179.1211 19 A 3.8927 8.4967 119.3662 55.4934 18.3824 179.8385 20 K 3.8381 8.1288 117.8258 59.6736 32.0591 179.1178 21 L 3.8246 7.8637 118.5131 57.4179 41.4635 179.2786 22 K 4.1623 8.1682 118.4231 59.3898 32.0041 178.8493 23 E 4.1208 7.9404 118.1950 60.9768 29.8958 179.0789 24 L 4.2683 7.6509 121.3056 53.4853 44.1294 176.0347 *31 A 4.0161 7.9202 124.9691 53.0353 19.9376 176.0794 32 R 4.5229 7.8050 118.4877 54.1947 34.2626 174.6683 33 F 5.6307 8.4822 119.3158 55.8137 43.0131 173.9397 34 V 4.8029 9.1151 123.3350 61.0328 34.3370 173.8195 35 L 4.9606 8.8544 130.4087 53.8174 43.6354 174.6058 36 L 4.9321 9.2096 129.7208 53.4992 44.1390 175.1947 37 V 4.6341 8.6556 127.8634 59.7380 32.9413 172.9395 38 P 4.9330 0.0000 0.0000 62.4787 31.0000 176.4466 39 A 4.5853 9.1283 123.9843 51.7476 23.5694 175.8955 40 V 4.0472 7.8215 117.0965 61.0444 32.3091 173.7170 41 P 4.9748 0.0000 0.0000 61.3622 32.4631 174.4823 42 P 4.4312 0.0000 0.0000 61.6712 32.0116 174.4483 43 P 4.2739 0.0000 0.0000 63.0741 31.8488 176.3216 44 G 4.1078 7.9989 109.3000 43.9728 0.0000 171.7669 45 W 4.6438 8.6678 117.2966 58.0681 29.7897 177.4494 46 V 4.0535 7.9795 116.1959 63.3272 32.4729 175.0611 47 Y 4.7232 7.5624 114.7165 56.0912 41.1741 174.8717 *49 E 4.3929 8.6504 122.8137 56.4828 31.6461 177.7737 50 N 4.3596 8.0959 115.5934 56.1538 38.5270 176.9045 51 E 3.9141 8.1058 120.1498 59.5923 29.9532 179.2436 52 V 3.6763 7.7594 111.9169 64.0211 31.6422 178.4743 53 R 3.8460 7.9607 118.6675 59.2972 29.9752 178.2825 54 R 3.8608 7.8944 118.4912 59.8080 30.0746 178.5686 55 R 3.9110 8.0001 117.3553 59.2089 29.9412 178.9877 56 A 3.9934 8.0872 120.5514 55.2532 18.3751 179.5970 57 E 3.9214 8.7053 117.5373 59.4572 29.4709 179.4406 58 E 3.9655 8.3611 118.8372 59.2645 29.5196 178.8651 59 E 3.9329 8.3477 119.1486 59.2125 29.6205 178.7443 60 A 3.9857 8.2832 120.6653 55.1805 18.5082 179.3302 61 A 3.9239 8.1940 119.0987 55.4056 18.5207 179.7770 62 A 3.9573 8.1543 118.9854 55.1880 18.4348 179.7625 63 A 3.9647 8.1450 119.4178 55.0360 18.3895 179.7453 64 K 3.8702 8.3143 118.3797 59.6531 32.2288 178.9253 65 R 3.8543 8.1187 118.7283 59.3950 29.7472 178.2617 66 A 3.9552 7.6751 119.2149 55.0631 18.7703 179.1338 67 L 4.2048 7.8319 120.1049 57.9250 42.2604 179.0416 68 E 4.8172 8.6878 119.7600 58.9117 29.1474 179.1553 69 A 4.1023 8.0826 119.8937 54.5872 18.5814 178.8654 70 Q 4.2332 7.8572 115.6022 56.2103 28.7484 177.2270 71 G 4.1886 7.7052 108.5995 45.2386 0.0000 173.2390 72 I 4.3768 7.6984 121.3461 58.4348 38.4461 173.1512 73 P 4.6769 0.0000 0.0000 62.3025 31.9084 175.6505 74 V 4.4007 8.2396 122.7391 60.7365 32.8146 174.5641 75 E 4.2064 9.0924 129.6330 59.1621 29.9410 176.4927 76 E 4.8749 8.0421 117.4521 55.0247 33.1908 173.2017 77 A 5.3477 8.6310 126.0099 50.1133 21.9760 175.7228 78 K 4.6868 9.1771 120.2730 54.4097 36.3012 175.4044 79 A 4.6896 9.0841 126.5450 51.5541 19.6041 176.6159 80 G 4.1728 8.9062 109.3317 43.4376 0.0000 171.2271 81 D 4.9074 8.6615 118.2387 54.8655 41.4928 177.4233 82 I 3.7994 8.4415 124.6581 63.1269 38.9070 175.7383 83 S 4.3599 8.8114 118.2364 56.8949 62.3720 172.3156 84 P 3.8410 0.0000 0.0000 65.7317 30.8763 178.5395 85 L 4.0522 7.6007 116.8903 57.8722 41.6052 179.4476 86 L 4.0178 7.9302 118.7421 57.4909 41.4674 179.3333 87 A 3.8906 8.2830 121.1997 55.1738 18.2402 179.6982 88 I 3.3056 7.6605 118.2662 64.3771 37.1515 177.9472 89 E 3.5698 7.6542 119.9798 59.7068 29.3946 178.9912 90 E 3.9963 8.2593 118.1957 59.0548 29.4291 178.9664 91 E 3.9449 8.2662 119.7598 59.1867 29.8229 178.8220 92 L 4.0590 8.0507 119.3495 57.5328 41.3767 179.2981 93 L 4.0234 7.7084 119.4480 57.9800 42.1371 178.5708 94 A 4.1144 7.7924 119.4769 54.3037 19.8492 177.6119 95 H 4.9080 8.1461 113.8408 53.2013 29.0257 170.9606 96 P 4.4311 0.0000 0.0000 63.3419 32.1430 178.0661 97 G 3.8900 8.9353 110.2547 45.3442 0.0000 174.1824 98 A 3.8055 7.3124 121.8614 53.8223 18.5425 177.2361 99 Y 4.9208 7.4534 112.9568 56.3478 40.4439 175.4453 100 Q 4.3644 8.6693 121.9394 56.6174 29.7276 175.3528 101 G 4.2596 7.5082 105.4331 46.0234 0.0000 172.1105 102 I 5.0324 8.5273 121.4759 59.3002 40.2273 175.1154 103 V 4.6069 9.1694 127.5690 61.2900 33.2595 174.1576 104 L 4.8372 8.9987 132.3324 53.8920 43.3898 175.0432 105 S 5.3177 9.1645 123.1635 57.0984 63.4540 173.2435 106 T 4.6729 8.7839 117.7285 59.3832 71.9872 173.7121 107 L 4.9905 8.3248 122.4822 53.4937 42.8493 175.0082 108 P 4.6390 0.0000 0.0000 61.5187 32.8592 174.1965 109 P 4.4516 0.0000 0.0000 64.7910 31.3735 176.5028 110 G 4.0844 9.4472 109.3054 45.2679 0.0000 174.1041 111 L 4.5425 7.3793 115.5468 54.9486 44.2877 176.8416 112 S 4.1103 8.0902 114.5248 57.9542 62.8017 174.9396 113 R 4.0145 8.5857 127.5425 59.1733 29.9680 178.9559 114 W 4.4570 8.0511 118.3655 59.8290 29.0892 178.3793 115 L 4.0570 8.5649 119.4539 57.9403 40.8305 179.8225 116 R 4.0343 7.6851 116.6125 58.6498 30.0259 178.0472 117 L 4.4218 7.7382 116.3985 53.5435 42.2661 176.0434 118 D 4.5838 8.3975 118.5777 54.8743 39.4462 176.2876 119 V 3.5836 8.0120 119.8355 66.3619 31.3384 176.3383 120 H 4.1961 8.4212 113.9967 58.5511 28.4500 176.9328 121 T 4.1312 7.4087 111.4293 64.0748 69.4863 176.9092 122 Q 3.9081 8.2874 120.4543 58.0587 28.6165 178.2913 123 A 4.2749 8.1597 122.0609 54.9552 18.1297 179.2773 124 E 4.1492 8.0045 117.4155 58.9290 29.2163 179.3438 125 R 3.8407 7.3941 115.2954 58.7575 29.4597 178.5419 126 F 4.4395 7.1650 116.7833 59.0364 38.9823 176.0477 127 G 4.1206 7.6974 104.5551 45.2079 0.0000 173.7075 128 L 4.6609 7.6563 118.9601 52.3774 43.5798 174.4733 129 P 4.4362 0.0000 0.0000 63.0942 32.5426 175.2816 130 V 4.7946 8.4554 123.3945 61.2635 33.8111 174.4138 131 I 4.4024 8.8792 129.6434 60.1101 38.9938 174.0725 132 H 5.3133 8.8983 127.7172 54.7481 31.0596 173.8115 133 V 4.2807 8.8609 126.7847 61.2240 33.6740 174.2280 134 I 4.7419 8.2455 128.4026 59.9239 38.4056 174.8474 135 A 4.7349 8.8229 129.1520 50.8858 22.3882 175.9062 136 Q 3.8435 8.8089 120.9053 56.5439 30.6556 173.2108 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 R 8.11 4.39 0.00 1.78 1.95 0.00 3.04 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 4 Y 9.03 5.06 0.00 3.34 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 5 L 9.26 4.41 0.00 0.99 1.34 0.32 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 6 V 9.08 4.53 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 0.83 0.00 0.00 0.99 0.00 0.00 7 V 8.76 4.80 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 0.72 0.00 0.00 0.82 0.00 0.00 8 A 8.49 4.62 1.26 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 0.00 0.00 9 H 8.83 4.98 0.00 3.28 3.06 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.87 3.75 0.00 1.58 1.80 0.00 3.12 0.00 0.00 2.99 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.32 0.00 11 T 7.61 4.24 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 1.05 0.00 0.00 12 A 8.02 3.97 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 13 K 7.77 4.43 0.00 1.78 1.71 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.30 0.98 7.81 14 S 7.63 4.34 0.00 4.17 3.97 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 15 P 0.00 4.56 0.00 2.15 2.11 0.00 3.84 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 2.08 2.00 0.00 16 E 8.06 3.89 0.00 2.00 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 2.48 2.39 0.00 17 L 7.54 3.82 0.00 1.74 1.74 0.83 1.15 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 18 A 7.65 3.84 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 19 A 8.50 3.89 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 20 K 8.13 3.84 0.00 1.91 1.85 0.00 1.48 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.42 7.81 21 L 7.86 3.82 0.00 1.32 1.04 0.26 0.56 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 22 K 8.17 4.16 0.00 1.92 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.55 7.81 23 E 7.94 4.12 0.00 2.13 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 2.34 2.60 0.00 24 L 7.65 4.27 0.00 1.90 1.64 0.42 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 *31 A 7.92 4.02 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 R 7.80 4.52 0.00 1.61 1.82 0.00 3.15 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 33 F 8.48 5.63 0.00 3.02 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 34 V 9.12 4.80 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 0.92 0.00 0.00 1.13 0.00 0.00 35 L 8.85 4.96 0.00 1.86 1.57 1.03 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 36 L 9.21 4.93 0.00 1.64 1.42 0.86 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.66 4.63 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 1.20 0.00 0.00 1.00 0.00 0.00 38 P 0.00 4.93 0.00 2.08 2.00 0.00 4.10 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 39 A 9.13 4.59 1.12 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 40 V 7.82 4.05 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 0.98 0.00 0.00 0.97 0.00 0.00 41 P 0.00 4.97 0.00 2.11 2.03 0.00 3.81 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 42 P 0.00 4.43 0.00 2.14 2.06 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 43 P 0.00 4.27 0.00 1.91 1.95 0.00 3.54 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 1.95 2.04 0.00 44 G 8.00 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 45 W 8.67 4.64 0.00 3.31 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 46 V 7.98 4.05 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 0.19 0.00 0.00 0.98 0.00 0.00 47 Y 7.56 4.72 0.00 2.97 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 *49 E 8.65 4.39 0.00 2.00 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 2.27 2.32 0.00 50 N 8.10 4.36 0.00 2.79 2.86 0.00 0.00 6.71 7.66 0.00 0.00 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 E 8.11 3.91 0.00 2.11 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 2.45 2.44 0.00 52 V 7.76 3.68 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 0.80 0.00 0.00 0.97 0.00 0.00 53 R 7.96 3.85 0.00 1.96 2.20 0.00 3.16 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 54 R 7.89 3.86 0.00 2.15 2.10 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 55 R 8.00 3.91 0.00 2.04 1.94 0.00 3.09 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 1.62 1.73 0.00 56 A 8.09 3.99 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 57 E 8.71 3.92 0.00 2.08 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 2.46 2.50 0.00 58 E 8.36 3.97 0.00 2.18 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 2.33 2.57 0.00 59 E 8.35 3.93 0.00 2.25 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 0.00 2.28 2.46 0.00 60 A 8.28 3.99 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 61 A 8.19 3.92 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 62 A 8.15 3.96 1.41 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 0.00 0.00 63 A 8.14 3.96 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.31 3.87 0.00 1.86 2.01 0.00 1.68 0.00 0.00 1.60 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.48 7.81 65 R 8.12 3.85 0.00 1.94 2.06 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 66 A 7.68 3.96 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 67 L 7.83 4.20 0.00 1.88 1.83 0.89 0.86 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 68 E 8.69 4.82 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 2.59 2.43 0.00 69 A 8.08 4.10 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 70 Q 7.86 4.23 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.79 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 71 G 7.71 4.19 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 0.00 0.00 0.00 72 I 7.70 4.38 1.93 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 1.41 0.78 0.81 0.00 0.00 73 P 0.00 4.68 0.00 2.25 2.12 0.00 3.93 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 74 V 8.24 4.40 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 0.87 0.00 0.00 1.04 0.00 0.00 75 E 9.09 4.21 0.00 2.06 2.11 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 2.34 2.27 0.00 76 E 8.04 4.87 0.00 2.08 1.76 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 2.32 2.33 0.00 77 A 8.63 5.35 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 78 K 9.18 4.69 0.00 1.64 1.68 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.40 7.81 79 A 9.08 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.91 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 81 D 8.66 4.91 0.00 2.70 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 82 I 8.44 3.80 1.90 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 1.18 1.01 0.96 0.00 0.00 83 S 8.81 4.36 0.00 3.84 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 84 P 0.00 3.84 0.00 1.57 0.86 0.00 3.37 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.44 0.00 85 L 7.60 4.05 0.00 1.68 1.80 0.89 0.75 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 86 L 7.93 4.02 0.00 1.78 1.69 0.91 0.77 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 87 A 8.28 3.89 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 88 I 7.66 3.31 1.40 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.54 0.20 0.00 0.00 89 E 7.65 3.57 0.00 2.27 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 2.34 2.53 0.00 90 E 8.26 4.00 0.00 2.05 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 2.30 2.38 0.00 91 E 8.27 3.94 0.00 2.06 1.93 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 2.16 2.38 0.00 92 L 8.05 4.06 0.00 1.74 1.69 0.57 0.80 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 93 L 7.71 4.02 0.00 1.75 1.86 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.79 4.11 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 95 H 8.15 4.91 0.00 3.30 3.10 0.00 5.82 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 96 P 0.00 4.43 0.00 2.17 2.06 0.00 3.43 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 97 G 8.94 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 0.00 0.00 0.00 98 A 7.31 3.81 0.65 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 99 Y 7.45 4.92 0.00 2.97 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 0.00 100 Q 8.67 4.36 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.17 1.83 0.00 101 G 7.51 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 0.00 0.00 0.00 102 I 8.53 5.03 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 1.04 0.84 0.91 0.00 0.00 103 V 9.17 4.61 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 0.83 0.00 0.00 0.82 0.00 0.00 104 L 9.00 4.84 0.00 1.84 1.63 0.98 0.65 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 0.00 105 S 9.16 5.32 0.00 3.92 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 0.00 106 T 8.78 4.67 4.30 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 1.48 0.00 0.00 107 L 8.32 4.99 0.00 1.41 1.57 0.71 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.64 0.00 2.08 2.14 0.00 3.65 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.83 0.00 109 P 0.00 4.45 0.00 2.19 2.11 0.00 3.71 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 1.98 1.98 0.00 110 G 9.45 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 0.00 111 L 7.38 4.54 0.00 1.68 1.59 0.87 0.82 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 0.00 112 S 8.09 4.11 0.00 3.89 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 0.00 113 R 8.59 4.01 0.00 1.91 2.08 0.00 3.19 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 114 W 8.05 4.46 0.00 3.36 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 0.00 115 L 8.56 4.06 0.00 1.66 1.68 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.69 4.03 0.00 2.02 2.03 0.00 3.16 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 117 L 7.74 4.42 0.00 1.88 1.73 1.05 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.40 4.58 0.00 2.82 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 0.00 119 V 8.01 3.58 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 0.92 0.00 0.00 0.89 0.00 0.00 120 H 8.42 4.20 0.00 3.24 3.23 0.00 5.57 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 7.41 4.13 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 1.07 0.00 0.00 122 Q 8.29 3.91 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 123 A 8.16 4.27 1.49 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 0.00 0.00 124 E 8.00 4.15 0.00 2.05 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 2.35 2.32 0.00 125 R 7.39 3.84 0.00 1.77 1.82 0.00 2.78 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.96 0.00 126 F 7.17 4.44 0.00 3.15 3.13 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 0.00 0.00 0.00 0.00 127 G 7.70 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 0.00 128 L 7.66 4.66 0.00 1.74 1.68 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.44 0.00 2.17 2.05 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 130 V 8.46 4.79 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 1.01 0.00 0.00 131 I 8.88 4.40 1.88 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 1.15 0.68 0.90 0.00 0.00 132 H 8.90 5.31 0.00 3.18 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.86 4.28 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 0.95 0.00 0.00 0.89 0.00 0.00 134 I 8.25 4.74 1.80 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 1.25 0.51 0.87 0.00 0.00 135 A 8.82 4.73 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.81 3.84 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.49 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.