NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4099 8.3049 120.3391 55.9593 33.5695 176.1588 2 K 4.1797 7.5697 117.5885 55.7037 34.4129 175.4854 3 T 3.8849 7.1132 123.2728 61.6325 68.7682 174.6855 4 Y 4.2923 5.4377 123.9442 56.9583 37.4038 177.1160 5 V 4.0848 7.4333 121.1099 60.1507 32.5982 175.1608 6 P 4.3487 0.0000 0.0000 62.1838 31.7913 176.6936 7 K 4.2332 8.3559 121.6877 55.2770 33.1392 175.8369 8 Q 3.8754 8.5998 118.5136 56.5629 28.3530 177.5424 9 V 3.7769 8.2613 122.8582 62.6497 32.3130 174.6850 10 E 4.4837 8.1863 121.7267 53.3529 30.1989 172.7032 11 P 4.2224 0.0000 0.0000 61.9574 31.3539 175.3464 12 R 4.5958 8.8044 124.2645 54.9162 31.8027 174.5727 13 W 5.1170 9.0185 126.1431 55.1144 30.9457 175.4210 14 V 4.6839 8.8814 125.1630 60.9540 34.0199 173.8268 15 L 5.2515 8.1658 127.8627 53.4912 45.0024 174.9703 16 I 4.6222 8.4137 124.8106 59.6071 41.7541 173.9069 17 D 5.0859 8.2156 127.6105 52.9921 41.5208 175.5359 18 A 4.3855 7.6610 126.4084 51.4492 18.6405 178.7381 19 E 3.9531 8.3601 124.1021 60.2311 29.9826 180.0816 20 G 3.8064 7.9512 105.9733 44.9264 0.0000 172.8742 21 K 4.4235 8.4748 122.2271 54.9567 34.1887 176.0690 22 T 4.4113 8.3764 121.2040 63.4923 69.1158 173.5537 23 L 3.6750 8.3463 129.5249 57.1455 42.5042 176.5834 24 G 4.3741 9.2245 119.2371 46.3750 0.0000 176.1138 25 R 3.7308 7.6393 118.3358 57.6644 30.3188 178.3519 26 L 4.2043 7.6217 119.7505 57.3944 42.5334 178.0184 27 A 3.9807 8.0517 120.2515 55.7036 18.2818 179.2002 28 T 3.7996 8.4795 114.4844 67.1023 68.6130 176.7386 29 K 3.9434 7.9737 119.3481 59.6155 32.2461 179.3886 30 I 3.7069 7.8551 119.7246 63.8817 36.8276 178.5255 31 A 3.9237 7.8658 121.6765 55.5686 18.3669 179.8974 32 T 3.6704 7.6770 113.6413 66.3166 68.3959 176.5454 33 L 3.8298 7.8514 122.4758 57.5817 42.1440 178.8015 34 L 3.8576 7.6500 118.8958 56.5300 41.6896 177.5180 35 R 4.6556 7.5487 117.2672 55.1285 31.3440 178.0910 36 G 4.1200 8.8177 111.6099 45.7255 0.0000 172.9539 37 K 3.6274 7.8482 120.5914 57.6486 33.1873 176.7844 38 H 4.6309 8.3092 111.7765 55.5109 28.9584 174.8968 39 R 4.3435 7.4839 121.1065 54.3566 30.9322 175.4661 40 P 4.4476 0.0000 0.0000 64.6007 31.4609 176.1868 41 D 4.9562 7.6679 119.0178 51.8621 39.8754 176.4453 42 W 4.6114 7.6617 128.4075 59.6788 31.2355 175.2457 43 T 3.8686 7.6504 120.9345 60.7380 70.2195 172.7302 44 P 3.2990 0.0000 0.0000 64.3934 31.2307 176.9003 45 N 4.7966 7.6853 114.3072 52.2266 37.6586 175.1595 46 V 4.0140 7.4464 118.9343 61.2727 33.3560 173.9761 47 A 3.6550 8.3284 122.7131 52.3254 14.7026 176.9960 48 M 4.8869 7.8035 122.8719 54.3162 30.9527 175.3415 49 G 4.6716 7.8410 106.0044 45.3198 0.0000 173.5576 50 D 4.9598 8.4022 119.5727 53.7145 42.3649 176.7344 51 F 3.9524 8.8231 120.0937 56.3683 40.1980 175.1542 52 V 4.4301 7.8928 125.0079 61.2513 33.3873 174.6533 53 V 4.7054 9.1777 129.4207 61.5899 33.0467 174.2789 54 V 5.5023 9.1283 129.6622 60.6439 33.2473 175.4123 55 V 4.6360 8.4874 126.8243 59.3925 34.2241 174.7038 56 N 4.2387 8.7224 115.1963 54.1835 36.1416 175.1721 57 A 4.3113 8.5367 120.8318 53.2523 19.0285 177.7265 58 D 3.9578 9.4657 113.6187 54.6250 39.8381 174.3526 59 K 4.2595 8.9507 111.2702 57.9404 31.2240 175.1664 60 I 4.7865 8.7089 111.4635 60.7056 38.2224 176.4103 61 R 4.5745 9.1143 124.0831 56.0356 32.0667 175.9713 62 V 4.8067 7.8843 119.7636 60.9242 34.3675 174.7006 63 T 4.1616 8.8083 115.8019 60.7917 70.3099 174.6044 64 G 3.9225 8.2134 108.7526 46.6362 0.0000 173.0507 65 K 4.5091 8.1724 115.5427 56.6296 33.0268 179.4098 66 K 3.9640 7.6983 120.3492 59.3389 32.3119 178.1978 67 L 4.3142 7.5704 117.4138 55.9137 42.1955 175.8919 68 E 4.3999 9.0944 122.8392 56.2387 28.1848 175.4870 69 Q 4.3801 7.3620 115.3808 56.6367 30.9464 176.0425 70 K 4.0365 8.4588 121.0716 56.3932 33.0951 175.8882 71 I 4.9231 8.1604 128.3018 59.8818 39.2209 174.8511 72 Y 4.5909 9.4330 124.9654 57.1456 40.1431 174.8007 73 T 5.8696 8.3739 117.1131 60.9729 72.6110 173.6389 74 R 4.6843 8.5717 122.6570 54.6425 34.5841 173.3907 75 Y 5.2140 8.7063 125.0389 55.6524 40.4700 175.1425 76 S 4.1848 8.8709 123.0508 57.6368 64.3583 175.7229 77 G 3.4300 8.6588 109.8497 47.1834 0.0000 173.0560 78 Y 4.3893 7.8265 118.3682 55.7004 39.2816 173.2404 79 P 4.3985 0.0000 0.0000 64.0776 31.7171 176.8393 80 G 3.9864 8.8662 111.8056 47.0272 0.0000 173.7990 81 G 4.3466 8.0035 104.9302 44.2027 0.0000 173.4613 82 L 4.9008 8.0131 122.6231 53.9085 42.7727 175.7923 83 K 4.6087 9.4766 127.3258 54.9508 34.3381 176.0036 84 K 4.8543 8.7106 123.2299 54.8987 34.6613 175.4024 85 I 4.7360 8.6685 126.5324 58.7854 40.5131 173.5490 86 P 5.3003 0.0000 0.0000 61.5513 33.8581 176.3527 87 L 4.0552 8.6180 121.2715 58.3777 41.5496 179.5464 88 E 3.9514 8.3736 117.6863 59.7365 29.3461 179.5129 89 K 3.8703 7.8899 117.2931 59.9024 31.9932 178.9761 90 M 4.2411 7.9264 117.9805 57.9033 31.9923 178.4255 91 L 4.1090 7.9797 117.3076 57.8324 41.9309 179.3698 92 A 4.2548 8.2683 119.5756 53.7444 18.4292 177.6453 93 T 4.1128 7.9648 112.1514 62.6993 71.0279 172.7684 94 H 4.3564 9.0953 126.0891 57.0410 25.2525 174.7219 95 P 4.3225 0.0000 0.0000 65.9205 31.3138 177.4242 96 E 4.0617 8.2178 116.3533 58.2171 29.2502 178.8922 97 R 4.0914 7.7886 120.5838 59.3030 29.7601 177.8786 98 V 3.3670 7.5194 118.2134 66.2869 31.4216 177.8576 99 L 4.0835 7.8399 119.0949 57.9318 42.0087 178.2457 100 E 4.0556 7.9640 118.7188 59.9786 29.5260 178.8934 101 H 4.0430 8.9089 118.1100 59.1695 29.6263 177.1919 102 A 4.1124 7.6607 120.7533 55.0375 18.6198 179.5377 103 V 3.7016 7.9476 116.8626 65.8372 31.6782 177.9258 104 K 3.9652 8.9575 120.0518 59.7677 31.7699 178.9468 105 G 3.7241 7.7166 103.3495 47.2112 0.0000 174.3414 106 M 4.4969 7.6262 119.2595 54.1868 32.5114 175.5301 107 L 4.8421 6.9552 118.7454 51.7650 44.8727 174.7206 108 P 4.3076 0.0000 0.0000 63.4583 31.6863 177.1824 109 K 4.4341 8.5959 119.8242 56.8399 32.9014 178.4730 110 G 4.0545 7.5195 108.1289 43.8431 0.0000 172.4168 111 P 4.3218 0.0000 0.0000 65.3490 31.4094 178.3506 112 L 4.0861 7.9143 119.1790 58.0419 41.9329 179.0506 113 G 4.1965 7.9480 106.5982 47.4893 0.0000 175.7671 114 R 3.9835 7.7981 119.3998 58.7979 30.1711 178.7505 115 R 4.1052 7.8419 118.3938 59.1595 29.5993 178.3775 116 L 3.9601 8.1671 118.5882 57.1359 41.6662 179.0294 117 F 4.2192 8.0149 120.8896 60.8573 39.0494 177.3385 118 K 3.9677 7.5843 117.7872 59.0792 32.0023 178.9386 119 R 3.6098 7.3338 116.5202 56.4876 29.8545 175.5536 120 L 4.4590 6.6558 121.6720 53.8619 43.3791 176.3919 121 K 4.2917 9.0779 125.1995 54.7057 34.9597 174.7077 122 V 4.7288 7.8712 124.5235 61.3652 33.3217 174.4868 123 Y 4.7217 8.7577 123.7834 55.3569 42.0505 175.8758 124 A 4.4604 8.4359 126.7723 51.2595 17.7723 178.4568 125 G 4.0270 7.7123 111.2078 44.0730 0.0000 169.2851 126 P 4.3811 0.0000 0.0000 63.4273 31.7641 173.9100 127 D 4.9117 9.8790 118.7316 55.0827 39.9928 173.7038 128 H 4.2758 7.7911 116.2371 53.6412 31.1588 171.3547 129 P 4.3492 0.0000 0.0000 63.3839 31.2335 176.2336 130 H 4.5942 8.0213 117.9816 55.0431 27.9139 174.1019 131 Q 4.2815 8.1171 123.6886 55.7647 28.5027 177.8323 132 A 3.6580 6.7507 121.7313 53.1250 18.8412 180.3455 133 Q 4.4119 6.2412 115.6600 58.4377 33.2598 173.1933 134 R 5.3161 8.3044 113.3029 55.9813 29.6451 173.1422 135 P 4.3305 0.0000 0.0000 63.4151 32.6226 177.0098 136 E 5.0188 8.6976 126.0611 55.8919 30.1065 175.9697 137 K 4.6212 8.6597 124.8555 54.6597 35.8962 176.8014 138 L 4.2857 8.3228 125.0735 53.8513 40.3597 177.5553 *139 E 4.1515 8.0634 117.3650 55.9010 30.3597 176.4886 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 1 M 8.30 4.41 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 2 K 7.57 4.18 0.00 1.46 1.23 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.26 1.42 7.81 3 T 7.11 3.88 4.13 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 1.18 0.00 0.00 4 Y 5.44 4.29 0.00 3.03 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 5 V 7.43 4.08 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 0.82 0.00 0.00 0.93 0.00 0.00 6 P 0.00 4.35 0.00 2.22 2.12 0.00 3.77 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 1.97 2.16 0.00 7 K 8.36 4.23 0.00 1.79 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 8 Q 8.60 3.88 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 9 V 8.26 3.78 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 0.81 0.00 0.00 0.97 0.00 0.00 10 E 8.19 4.48 0.00 1.94 1.88 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 2.21 2.38 0.00 11 P 0.00 4.22 0.00 2.41 2.47 0.00 3.90 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 2.13 2.15 0.00 12 R 8.80 4.60 0.00 2.01 2.11 0.00 3.21 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 13 W 9.02 5.12 0.00 3.16 3.20 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 14 V 8.88 4.68 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 0.95 0.00 0.00 0.96 0.00 0.00 15 L 8.17 5.25 0.00 1.83 1.60 0.97 0.79 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 16 I 8.41 4.62 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 1.12 1.01 0.95 0.00 0.00 17 D 8.22 5.09 0.00 2.65 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.66 4.39 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 19 E 8.36 3.95 0.00 2.20 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 2.32 2.32 0.00 20 G 7.95 3.81 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 0.00 0.00 0.00 21 K 8.47 4.42 0.00 1.82 1.78 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.41 7.81 22 T 8.38 4.41 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 1.22 0.00 0.00 23 L 8.35 3.67 0.00 1.67 1.75 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.22 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 0.00 0.00 0.00 0.00 25 R 7.64 3.73 0.00 1.90 2.01 0.00 3.20 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 26 L 7.62 4.20 0.00 1.76 1.64 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.05 3.98 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 28 T 8.48 3.80 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 1.18 0.00 0.00 29 K 7.97 3.94 0.00 1.91 1.81 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.65 7.81 30 I 7.86 3.71 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.33 0.85 0.00 0.00 31 A 7.87 3.92 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 32 T 7.68 3.67 4.14 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 0.00 0.00 1.07 0.00 0.00 33 L 7.85 3.83 0.00 1.95 1.54 0.63 0.50 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 34 L 7.65 3.86 0.00 1.92 1.63 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.55 4.66 0.00 1.51 1.81 0.00 3.14 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 36 G 8.82 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 37 K 7.85 3.63 0.00 1.69 1.67 0.00 0.61 0.00 0.00 0.83 0.00 0.00 2.40 0.00 0.00 2.21 0.00 0.00 0.00 0.00 1.02 0.91 7.81 38 H 8.31 4.63 0.00 3.28 3.32 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.48 4.34 0.00 1.92 2.08 0.00 3.12 0.00 0.00 3.53 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.31 0.00 40 P 0.00 4.45 0.00 2.18 2.19 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 2.00 1.96 0.00 41 D 7.67 4.96 0.00 2.79 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 42 W 7.66 4.61 0.00 3.33 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 43 T 7.65 3.87 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 1.05 0.00 0.00 44 P 0.00 3.30 0.00 2.03 1.98 0.00 3.17 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 45 N 7.69 4.80 0.00 2.76 2.82 0.00 0.00 5.85 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 46 V 7.45 4.01 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 0.70 0.00 0.00 0.91 0.00 0.00 47 A 8.33 3.66 1.39 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 0.00 0.00 48 M 7.80 4.89 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 49 G 7.84 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.40 4.96 0.00 2.53 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 51 F 8.82 3.95 0.00 1.51 1.45 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 52 V 7.89 4.43 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 0.95 0.00 0.00 0.83 0.00 0.00 53 V 9.18 4.71 2.28 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 0.93 0.00 0.00 1.17 0.00 0.00 54 V 9.13 5.50 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 0.82 0.00 0.00 0.92 0.00 0.00 55 V 8.49 4.64 2.20 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 0.85 0.00 0.00 1.06 0.00 0.00 56 N 8.72 4.24 0.00 3.04 3.02 0.00 0.00 6.86 7.35 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 57 A 8.54 4.31 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 58 D 9.47 3.96 0.00 2.93 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 59 K 8.95 4.26 0.00 1.99 1.95 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.37 7.81 60 I 8.71 4.79 1.89 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 1.32 0.96 0.96 0.00 0.00 61 R 9.11 4.57 0.00 1.83 1.89 0.00 3.28 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 62 V 7.88 4.81 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 0.70 0.00 0.00 0.95 0.00 0.00 63 T 8.81 4.16 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 64 G 8.21 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 0.00 0.00 0.00 65 K 8.17 4.51 0.00 1.82 1.81 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.45 7.81 66 K 7.70 3.96 0.00 1.93 1.85 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.49 7.81 67 L 7.57 4.31 0.00 1.65 1.76 0.94 0.97 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 68 E 9.09 4.40 0.00 2.15 2.20 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 2.45 2.41 0.00 69 Q 7.36 4.38 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 70 K 8.46 4.04 0.00 1.71 1.75 0.00 1.50 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 1.18 7.81 71 I 8.16 4.92 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 1.51 1.00 0.93 0.00 0.00 72 Y 9.43 4.59 0.00 3.04 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 73 T 8.37 5.87 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 1.34 0.00 0.00 74 R 8.57 4.68 0.00 1.74 1.79 0.00 3.08 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 75 Y 8.71 5.21 0.00 2.93 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 76 S 8.87 4.18 0.00 3.87 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 77 G 8.66 3.43 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 78 Y 7.83 4.39 0.00 3.01 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 79 P 0.00 4.40 0.00 2.12 2.06 0.00 3.99 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 2.08 2.14 0.00 80 G 8.87 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 81 G 8.00 4.35 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 0.00 82 L 8.01 4.90 0.00 1.76 1.67 1.01 0.65 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 83 K 9.48 4.61 0.00 1.85 1.73 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.56 7.81 84 K 8.71 4.85 0.00 1.61 1.74 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.45 7.81 85 I 8.67 4.74 1.95 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 1.32 1.07 0.95 0.00 0.00 86 P 0.00 5.30 0.00 2.14 2.19 0.00 3.78 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 2.03 2.00 0.00 87 L 8.62 4.06 0.00 1.96 1.86 1.02 1.00 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 88 E 8.37 3.95 0.00 2.02 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 2.44 2.51 0.00 89 K 7.89 3.87 0.00 1.94 1.88 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.66 7.81 90 M 7.93 4.24 0.00 1.79 2.16 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.32 0.00 91 L 7.98 4.11 0.00 1.74 1.74 0.95 1.04 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 92 A 8.27 4.25 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 93 T 7.96 4.11 4.16 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 1.26 0.00 0.00 94 H 9.10 4.36 0.00 3.38 3.34 0.00 5.95 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.32 0.00 2.26 2.50 0.00 3.71 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 2.08 2.03 0.00 96 E 8.22 4.06 0.00 2.09 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 2.33 2.25 0.00 97 R 7.79 4.09 0.00 1.97 1.90 0.00 3.01 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 98 V 7.52 3.37 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 1.02 0.00 0.00 0.87 0.00 0.00 99 L 7.84 4.08 0.00 1.73 1.64 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.96 4.06 0.00 2.30 2.25 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 2.30 2.47 0.00 101 H 8.91 4.04 0.00 3.21 3.50 0.00 5.58 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.66 4.11 1.39 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 0.00 0.00 103 V 7.95 3.70 2.18 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 1.04 0.00 0.00 0.98 0.00 0.00 104 K 8.96 3.97 0.00 1.73 1.63 0.00 0.64 0.00 0.00 1.26 0.00 0.00 2.60 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.11 0.72 7.81 105 G 7.72 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 0.00 106 M 7.63 4.50 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.56 0.00 107 L 6.96 4.84 0.00 1.75 1.57 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.31 0.00 2.21 2.03 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 109 K 8.60 4.43 0.00 1.71 1.82 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.17 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.45 7.81 110 G 7.52 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 0.00 111 P 0.00 4.32 0.00 2.17 2.11 0.00 3.60 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 2.11 2.13 0.00 112 L 7.91 4.09 0.00 1.76 1.67 0.92 1.06 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 0.00 113 G 7.95 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 0.00 0.00 0.00 114 R 7.80 3.98 0.00 2.07 2.02 0.00 3.16 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 115 R 7.84 4.11 0.00 2.04 2.11 0.00 3.10 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 116 L 8.17 3.96 0.00 1.88 1.65 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.01 4.22 0.00 3.08 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 0.00 118 K 7.58 3.97 0.00 1.90 1.86 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.70 7.81 119 R 7.33 3.61 0.00 1.54 1.06 0.00 2.21 0.00 0.00 2.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.25 0.00 120 L 6.66 4.46 0.00 1.36 1.14 0.70 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 121 K 9.08 4.29 0.00 1.75 1.89 0.00 1.50 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.50 7.81 122 V 7.87 4.73 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 0.79 0.00 0.00 0.85 0.00 0.00 123 Y 8.76 4.72 0.00 3.06 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 0.00 124 A 8.44 4.46 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 0.00 125 G 7.71 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 0.00 126 P 0.00 4.38 0.00 2.20 2.28 0.00 3.83 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 2.00 2.01 0.00 127 D 9.88 4.91 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 0.00 128 H 7.79 4.28 0.00 2.92 3.10 0.00 5.52 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 0.00 129 P 0.00 4.35 0.00 2.03 2.01 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 130 H 8.02 4.59 0.00 3.33 3.10 0.00 5.80 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.12 4.28 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 132 A 6.75 3.66 0.22 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 0.00 133 Q 6.24 4.41 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.64 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 134 R 8.30 5.32 0.00 2.04 2.02 0.00 3.22 0.00 0.00 3.42 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 135 P 0.00 4.33 0.00 2.15 2.12 0.00 4.11 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 136 E 8.70 5.02 0.00 2.01 1.88 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 2.31 2.33 0.00 137 K 8.66 4.62 0.00 1.64 1.67 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.64 7.81 138 L 8.32 4.29 0.00 1.62 1.62 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 *139 E 8.06 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.