NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3978 8.1693 122.4926 54.7641 42.9637 177.0282 5 T 3.8992 8.3058 117.2098 60.5629 70.6968 171.5672 6 E 3.8940 8.4588 122.2972 59.4909 30.1686 180.0121 7 E 3.9696 8.0719 117.1417 59.3701 29.5480 179.0444 8 Q 3.6689 7.7273 118.8197 58.7957 28.7720 178.6783 9 I 3.7635 7.6034 120.5336 64.3139 37.1451 178.3928 10 A 4.1251 8.0041 121.6693 54.9233 18.1720 179.6066 11 E 4.0003 8.1222 117.4317 59.6282 29.5447 179.4899 12 F 4.9848 8.4008 118.0956 60.4221 38.9420 177.7440 13 K 3.8033 8.4596 119.8236 59.1913 31.7411 178.5189 14 E 3.9188 7.9474 118.0741 59.2025 29.9375 178.2875 15 A 4.2460 8.4179 120.8048 55.2569 18.5641 179.0915 16 F 3.2838 8.5957 119.2085 61.6763 39.1473 177.6640 17 S 4.1537 7.9850 112.9953 61.3274 62.5956 176.3279 18 L 4.0516 7.6061 121.2101 57.3060 41.4074 178.8594 19 F 4.3723 7.7222 116.6011 59.5423 40.5926 176.8317 20 D 4.5128 7.8441 118.8404 53.1724 36.8896 176.5594 21 K 3.8854 7.7054 123.7380 59.8241 32.6965 178.5166 22 D 4.3573 8.3410 115.5280 53.6469 40.1825 175.8922 23 G 3.8048 8.2275 108.5386 47.2287 0.0000 173.6257 24 D 4.7546 8.5825 113.4622 52.6228 40.2864 177.5717 25 G 4.1745 9.3411 109.3765 45.7311 0.0000 173.1700 26 T 5.1657 8.0711 108.8387 59.8948 72.3013 173.6222 27 I 4.5405 8.6668 125.1010 60.1216 39.1885 175.5876 28 T 4.8280 8.4667 118.0086 60.3080 71.0237 176.1853 29 T 3.8836 8.4578 111.9097 64.7760 68.5028 176.5110 30 K 3.9273 8.0058 120.8111 59.4724 32.1785 178.9571 31 E 3.9997 8.0776 118.2645 59.1639 29.2549 179.4028 32 L 4.1288 8.0343 119.2495 57.7305 41.6597 179.6997 33 G 3.6447 8.3297 105.7895 48.2018 0.0000 175.5025 34 T 3.8823 8.1606 119.1890 66.4057 68.3248 176.8319 35 V 3.5998 7.8010 119.7152 66.3637 31.5637 178.0562 36 M 4.2701 8.5489 118.6786 58.2720 31.7058 178.8851 37 R 4.5787 8.6327 120.2597 58.2313 30.0859 178.8795 38 S 4.2778 7.8456 112.7466 60.2808 63.0263 175.4596 39 L 4.5838 7.3542 119.5987 54.0646 41.7259 176.8835 40 G 3.8114 7.9125 106.6944 45.6790 0.0000 173.5137 41 Q 4.5269 8.2593 121.3867 54.7174 31.3209 175.0775 42 N 5.3459 8.0812 115.6217 51.1533 39.5036 173.1374 43 P 4.5384 0.0000 0.0000 62.9480 32.8333 177.5421 44 T 4.4589 8.7331 111.5064 60.5842 71.6085 175.7940 45 E 3.9554 8.6850 120.2238 59.6716 29.3493 179.2801 46 A 3.9625 7.8072 121.7995 55.1079 18.5868 179.5169 47 E 3.9482 8.2807 117.1184 59.3062 29.4912 179.6625 48 L 3.9944 8.0760 119.3211 57.7407 41.6395 179.1638 49 Q 3.9695 8.3412 119.7859 59.3778 28.8930 178.1409 50 D 4.3536 8.3446 119.9729 57.3213 40.5542 178.7191 51 M 4.0190 7.6441 118.3851 58.4226 32.3505 178.4736 52 I 3.8470 7.6194 119.7510 64.5070 36.8507 178.1510 53 N 4.3195 8.4122 117.5817 56.3944 38.2442 176.8159 54 E 4.2322 8.2923 118.5952 58.0749 29.6942 177.5134 55 V 4.3569 7.3354 108.3514 61.4615 33.9952 175.4735 56 D 4.6735 7.7587 121.0400 52.4482 39.6302 176.6854 57 A 4.0294 8.2637 127.0543 55.1786 18.6009 178.6139 58 D 4.6540 8.3433 111.8879 52.6207 39.4412 176.2523 59 G 4.0642 7.4873 106.8891 47.0061 0.0000 174.0730 60 N 4.5574 8.2480 114.7150 52.2130 37.9049 176.0694 61 G 4.0169 9.2448 108.4462 45.6132 0.0000 173.3653 62 T 4.7939 7.5101 107.6698 59.9637 72.4056 173.2829 63 I 4.8394 8.3072 123.4546 60.1671 39.3948 175.2219 64 D 5.6050 9.1230 126.4462 50.9243 42.2407 177.2443 65 F 3.7113 8.6338 119.4623 60.9985 39.2077 174.9015 66 P 3.9353 0.0000 0.0000 65.6496 31.1081 178.4278 67 E 3.9666 8.9346 117.7157 59.2274 29.2970 179.0532 68 F 4.1883 8.4116 120.7172 61.2987 39.3912 176.9726 69 L 3.8475 8.0146 118.7266 58.2459 41.2054 179.7352 70 T 3.7580 7.3878 113.6338 66.7109 68.4310 175.9286 71 M 3.9852 7.6865 118.8075 59.1468 32.3015 177.6909 72 M 3.6651 7.5798 117.5583 57.8247 32.7424 179.1206 73 A 4.2343 7.6948 122.1756 51.7643 16.6946 177.5613 *84 E 4.4001 8.0016 125.2388 56.8229 32.3552 177.7271 85 I 4.0376 7.8966 119.0896 64.4889 37.3974 178.0077 86 R 4.1896 8.3035 119.0695 59.6512 29.5842 178.2411 87 E 4.0458 8.2369 116.9121 59.3559 30.0075 178.6613 88 A 4.3657 8.0269 121.1052 55.0466 18.4249 179.3690 89 F 3.3097 8.8471 119.6863 61.3255 39.1879 177.4005 90 R 3.8024 7.9820 117.0790 59.1760 29.8549 178.3523 91 V 3.6711 7.4807 117.4126 65.4880 31.5237 177.7723 92 F 4.1930 8.0093 116.3524 59.6722 40.7306 177.0168 93 D 4.4896 7.7180 119.5464 52.7390 37.1193 176.1860 94 K 3.7780 7.8053 122.9510 59.3518 32.6392 178.1332 95 D 4.4425 8.3622 114.6770 53.0852 39.6051 176.7753 96 G 3.9116 8.0679 107.8819 46.6253 0.0000 174.2300 97 N 4.5585 8.3806 114.5448 52.9471 37.3787 176.0579 98 G 4.0475 9.8616 108.4199 45.8350 0.0000 172.4166 99 Y 5.0929 7.9222 115.9435 56.2987 42.1786 174.6259 100 I 4.9460 9.3973 125.4072 59.5550 39.0683 175.3533 101 S 5.0993 8.7660 120.5274 56.2585 66.0828 174.8269 102 A 3.9969 8.8377 121.5986 55.5878 17.9514 179.8122 103 A 3.9947 7.9913 118.5096 55.3156 18.5575 179.6285 104 E 3.8917 7.9522 116.0668 59.2848 29.5794 179.2042 105 L 4.1001 8.2150 120.5668 58.4131 42.2457 178.9638 106 R 3.9585 8.7258 118.8539 59.6981 29.8758 178.2166 107 H 4.0351 8.0545 115.5751 58.7941 28.7696 177.8049 108 V 3.4465 7.6112 119.6191 66.1821 31.3604 177.7300 109 M 4.0316 8.0330 118.2471 59.0178 31.8634 178.9321 110 T 4.6634 7.8243 116.9122 66.2219 68.3399 176.2062 111 N 4.4002 7.9633 118.1409 56.3023 38.9736 175.9686 112 L 4.3119 7.6004 117.9971 54.5712 41.8085 177.9711 113 G 3.9568 8.3372 108.7675 45.2905 0.0000 174.2845 114 E 3.9630 8.0692 123.0245 56.6363 29.9372 176.6551 *115 K 4.6780 8.5648 125.0450 52.6163 33.3967 172.8590 116 L 5.0175 8.0237 123.4601 52.3787 43.9228 176.7457 117 T 4.2918 8.5404 116.0982 62.9878 70.5125 175.8970 118 D 4.3771 8.7224 123.9268 57.6121 40.7715 178.9483 119 E 3.9207 8.1580 119.1772 59.4483 29.6577 178.6669 120 E 4.0864 8.0144 118.0212 59.4721 29.6133 179.3289 121 V 3.6205 8.0308 118.4153 65.9568 31.4732 177.6474 122 D 4.3412 8.3797 118.2225 57.3692 41.1059 178.0951 123 E 3.9880 8.3880 119.3078 59.5045 29.1490 179.2779 124 M 4.0782 8.2591 118.8941 58.3879 31.9625 178.7312 125 I 3.7725 7.7693 119.8966 64.6608 37.1125 178.6475 126 R 3.9378 7.9741 117.4557 59.3793 29.9056 178.6601 127 E 4.0751 8.1286 117.4193 59.1084 29.5368 178.6183 128 A 4.5350 7.5500 119.0691 52.7722 19.3457 176.5478 129 D 4.3890 8.1052 116.5845 54.7400 40.6418 176.2004 130 I 3.9496 8.4866 127.9216 64.3219 37.4353 177.7138 131 D 4.4388 8.3569 117.2157 53.9122 39.5829 176.6783 132 G 3.8644 8.2018 108.3600 46.7431 0.0000 174.2124 133 D 4.4507 8.2454 119.0938 53.5348 39.9623 177.2554 134 G 4.0038 9.6455 108.7569 45.4019 0.0000 172.6261 135 Q 4.6367 8.3351 117.0240 54.3237 33.3253 174.2333 136 V 4.5555 8.7081 118.9047 61.3162 32.7268 175.1944 137 N 5.0443 8.6876 127.8888 51.0970 40.4645 174.9918 138 Y 3.0724 7.9263 119.4657 60.8108 38.7604 177.7393 139 E 3.6822 8.0156 118.9386 59.4129 29.6239 179.1018 140 E 3.9927 8.5777 118.6883 59.0572 29.2747 179.1153 141 F 4.0712 7.7924 120.2421 61.0415 39.7591 177.1596 142 V 3.5287 7.5853 117.9033 66.0138 31.3778 177.4799 143 Q 3.9649 7.7522 120.5265 58.9637 28.5913 178.6748 144 M 4.0549 7.7123 117.7447 57.6981 31.9920 177.5390 145 M 4.4004 8.0131 116.8277 55.0635 32.6992 176.0629 146 T 4.1694 7.7569 115.8213 61.6893 69.1296 173.6366 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 4 L 8.17 4.40 0.00 1.63 1.70 1.09 0.86 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 5 T 8.31 3.90 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 1.19 0.00 0.00 6 E 8.46 3.89 0.00 2.04 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 2.37 2.37 0.00 7 E 8.07 3.97 0.00 2.17 2.15 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 2.31 2.31 0.00 8 Q 7.73 3.67 0.00 2.05 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 9 I 7.60 3.76 1.91 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 1.54 0.91 1.11 0.00 0.00 10 A 8.00 4.13 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 11 E 8.12 4.00 0.00 1.93 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 2.29 2.47 0.00 12 F 8.40 4.98 0.00 3.50 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 13 K 8.46 3.80 0.00 2.12 1.89 0.00 1.51 0.00 0.00 1.35 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.97 0.48 7.81 14 E 7.95 3.92 0.00 2.17 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 0.00 2.36 2.42 0.00 15 A 8.42 4.25 1.86 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 0.00 0.00 16 F 8.60 3.28 0.00 3.07 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 17 S 7.98 4.15 0.00 4.07 3.90 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 0.00 0.00 0.00 18 L 7.61 4.05 0.00 1.50 1.47 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.72 4.37 0.00 2.79 2.83 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 0.00 0.00 0.00 20 D 7.84 4.51 0.00 2.18 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 21 K 7.71 3.89 0.00 1.92 1.88 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.41 7.81 22 D 8.34 4.36 0.00 2.80 2.78 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 23 G 8.23 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 0.00 0.00 0.00 24 D 8.58 4.75 0.00 2.78 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 25 G 9.34 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 26 T 8.07 5.17 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 1.29 0.00 0.00 27 I 8.67 4.54 1.78 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.43 0.72 0.00 0.00 28 T 8.47 4.83 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 29 T 8.46 3.88 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 1.20 0.00 0.00 30 K 8.01 3.93 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.54 7.81 31 E 8.08 4.00 0.00 2.16 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 0.00 2.32 2.34 0.00 32 L 8.03 4.13 0.00 1.88 1.70 0.85 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.33 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 3.88 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 1.21 0.00 0.00 35 V 7.80 3.60 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 1.00 0.00 0.00 36 M 8.55 4.27 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.69 0.00 37 R 8.63 4.58 0.00 2.04 1.97 0.00 3.14 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.64 0.00 38 S 7.85 4.28 0.00 4.02 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 39 L 7.35 4.58 0.00 1.67 1.69 0.90 0.81 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 40 G 7.91 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 41 Q 8.26 4.53 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 42 N 8.08 5.35 0.00 2.69 2.69 0.00 0.00 6.91 8.02 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 43 P 0.00 4.54 0.00 2.18 2.07 0.00 3.77 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 2.00 1.98 0.00 44 T 8.73 4.46 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 1.24 0.00 0.00 45 E 8.69 3.96 0.00 2.18 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 2.36 2.33 0.00 46 A 7.81 3.96 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 47 E 8.28 3.95 0.00 2.17 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 2.33 2.35 0.00 48 L 8.08 3.99 0.00 1.87 1.70 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.34 3.97 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.65 0.00 50 D 8.34 4.35 0.00 2.90 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.64 4.02 0.00 1.99 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.56 0.00 52 I 7.62 3.85 2.01 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 1.73 1.22 0.98 0.00 0.00 53 N 8.41 4.32 0.00 2.92 2.87 0.00 0.00 6.72 7.79 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 54 E 8.29 4.23 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 2.30 2.33 0.00 55 V 7.34 4.36 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 0.67 0.00 0.00 0.97 0.00 0.00 56 D 7.76 4.67 0.00 2.97 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 4.03 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 58 D 8.34 4.65 0.00 2.80 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 G 7.49 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 60 N 8.25 4.56 0.00 2.84 2.95 0.00 0.00 6.92 6.75 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 61 G 9.24 4.02 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 0.00 0.00 0.00 62 T 7.51 4.79 4.27 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 1.23 0.00 0.00 63 I 8.31 4.84 1.97 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 0.65 1.18 0.00 0.00 64 D 9.12 5.61 0.00 2.83 2.88 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 65 F 8.63 3.71 0.00 2.05 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 66 P 0.00 3.94 0.00 2.25 2.00 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 67 E 8.93 3.97 0.00 2.27 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 0.00 2.34 2.44 0.00 68 F 8.41 4.19 0.00 3.50 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 69 L 8.01 3.85 0.00 1.66 1.57 0.32 0.68 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 70 T 7.39 3.76 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 1.16 0.00 0.00 71 M 7.69 3.99 0.00 1.91 1.96 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 2.45 2.32 0.00 72 M 7.58 3.67 0.00 0.51 1.26 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 1.33 1.73 0.00 73 A 7.69 4.23 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 *84 E 8.00 4.40 0.00 2.10 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 0.00 2.37 2.41 0.00 85 I 7.90 4.04 2.10 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 1.61 0.49 1.20 0.00 0.00 86 R 8.30 4.19 0.00 1.89 1.98 0.00 3.04 0.00 0.00 2.99 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 87 E 8.24 4.05 0.00 2.23 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 0.00 2.38 2.38 0.00 88 A 8.03 4.37 1.74 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 0.00 0.00 89 F 8.85 3.31 0.00 2.81 3.22 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 90 R 7.98 3.80 0.00 2.08 1.95 0.00 3.32 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 91 V 7.48 3.67 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 0.61 0.00 0.00 1.00 0.00 0.00 92 F 8.01 4.19 0.00 2.89 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 93 D 7.72 4.49 0.00 1.77 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 0.00 0.00 0.00 94 K 7.81 3.78 0.00 1.71 1.80 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.61 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.54 7.81 95 D 8.36 4.44 0.00 2.77 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 96 G 8.07 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 0.00 0.00 0.00 97 N 8.38 4.56 0.00 3.00 3.00 0.00 0.00 6.95 6.53 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 98 G 9.86 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 99 Y 7.92 5.09 0.00 2.83 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 0.00 100 I 9.40 4.95 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.79 1.03 0.00 0.00 101 S 8.77 5.10 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.84 4.00 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 0.00 103 A 7.99 3.99 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 0.00 104 E 7.95 3.89 0.00 2.25 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 2.27 2.29 0.00 105 L 8.21 4.10 0.00 1.87 1.93 1.17 1.10 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 0.00 106 R 8.73 3.96 0.00 2.03 2.09 0.00 3.14 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 107 H 8.05 4.04 0.00 3.41 3.30 0.00 5.68 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 0.00 108 V 7.61 3.45 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 0.54 0.00 0.00 0.53 0.00 0.00 109 M 8.03 4.03 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.00 0.00 110 T 7.82 4.66 4.32 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 1.17 0.00 0.00 111 N 7.96 4.40 0.00 2.80 2.98 0.00 0.00 7.28 7.29 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 0.00 112 L 7.60 4.31 0.00 1.77 1.59 0.87 0.72 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 0.00 113 G 8.34 3.96 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 0.00 0.00 0.00 114 E 8.07 3.96 0.00 2.10 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 2.30 2.31 0.00 *115 K 8.56 4.68 0.00 1.73 1.59 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 0.95 7.81 116 L 8.02 5.02 0.00 1.76 1.71 0.94 0.73 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 0.00 117 T 8.54 4.29 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 0.00 118 D 8.72 4.38 0.00 2.76 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 0.00 119 E 8.16 3.92 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 2.38 2.60 0.00 120 E 8.01 4.09 0.00 2.24 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 0.00 2.41 2.37 0.00 121 V 8.03 3.62 2.24 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 1.08 0.00 0.00 1.01 0.00 0.00 122 D 8.38 4.34 0.00 2.96 2.83 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 0.00 0.00 0.00 123 E 8.39 3.99 0.00 2.19 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 0.00 2.34 2.75 0.00 124 M 8.26 4.08 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.60 0.00 125 I 7.77 3.77 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.04 0.99 0.00 0.00 126 R 7.97 3.94 0.00 1.97 2.01 0.00 3.18 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 127 E 8.13 4.08 0.00 2.16 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 2.51 2.47 0.00 128 A 7.55 4.54 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 0.00 129 D 8.11 4.39 0.00 2.79 2.67 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 0.00 130 I 8.49 3.95 2.03 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 1.46 0.85 0.91 0.00 0.00 131 D 8.36 4.44 0.00 2.83 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 0.00 132 G 8.20 3.86 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 0.00 0.00 0.00 133 D 8.25 4.45 0.00 2.75 2.83 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 0.00 0.00 0.00 134 G 9.65 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.34 4.64 0.00 2.20 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 136 V 8.71 4.56 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 1.15 0.00 0.00 1.02 0.00 0.00 137 N 8.69 5.04 0.00 2.72 2.71 0.00 0.00 6.47 7.44 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 0.00 138 Y 7.93 3.07 0.00 2.10 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 0.00 139 E 8.02 3.68 0.00 2.02 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 2.38 2.44 0.00 140 E 8.58 3.99 0.00 2.19 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 0.00 2.33 2.47 0.00 141 F 7.79 4.07 0.00 3.16 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 0.00 142 V 7.59 3.53 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 0.64 0.00 0.00 0.11 0.00 0.00 143 Q 7.75 3.96 0.00 2.32 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 144 M 7.71 4.05 0.00 1.84 2.18 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 145 M 8.01 4.40 0.00 1.82 2.03 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 146 T 7.76 4.17 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 * Residues marked with a * may have inaccurate shift predictions.