NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 L 4.4928 8.0427 122.5077 55.2833 44.2974 178.5225 -3 Y 3.8386 8.2803 119.0369 60.2182 38.7665 176.5392 -2 F 4.3650 8.9002 117.9475 60.6272 40.3506 176.3336 -1 Q 4.1492 8.4032 118.5470 59.1493 28.5330 179.1110 0 G 3.5882 7.9533 103.5517 45.9863 0.0000 174.0057 -2 E 4.0950 9.0202 117.8475 59.5272 30.6506 177.1337 -1 L 4.1492 8.2432 120.5470 58.5493 41.5330 180.7110 0 L 3.9682 7.7833 116.5517 55.9863 41.4433 176.7057 5 I 3.8392 7.6853 118.9518 64.7128 37.1082 178.5823 6 R 4.0084 7.9487 118.0997 59.2661 29.8343 179.1505 7 T 3.8345 7.9472 115.4153 66.6315 68.4636 176.3696 8 E 3.9213 8.0904 120.0364 59.3682 29.5502 179.0215 9 Q 3.9098 8.2339 119.6787 59.1200 29.1458 178.1167 10 L 3.8739 8.0075 121.3879 57.9344 42.0889 178.7271 11 L 3.9048 8.0365 119.2869 57.7918 41.4845 179.3016 12 L 3.9838 8.1760 120.3641 58.0900 41.9888 178.6706 13 Q 3.8829 8.1622 119.5521 59.2240 29.0760 177.8204 14 N 4.3663 8.2635 117.9240 56.9052 38.8947 176.5880 15 E 4.2689 8.4581 119.8612 59.4700 29.4888 179.4490 16 K 4.0560 8.4008 118.7137 59.5749 32.1325 179.0063 17 N 4.6048 8.5955 116.7524 56.2916 38.4831 177.2982 18 W 4.3097 8.3074 129.3179 60.6608 30.7864 177.9586 19 E 3.6709 8.5766 118.8858 58.9794 28.8127 179.1015 20 L 3.6868 8.0784 120.7324 58.0231 42.1814 178.2377 21 Y 4.0902 7.6623 120.6978 60.1205 38.6516 178.0797 22 L 3.1880 7.2522 120.0511 57.4834 41.6175 179.7705 23 S 3.9068 7.6740 114.0170 61.5817 62.6701 176.4114 24 N 4.5553 7.9306 121.3836 55.0877 37.9700 177.4417 25 R 3.8578 7.3906 120.0087 58.9541 30.0715 177.9197 26 E 4.1650 7.6202 118.6141 57.6936 29.7706 176.6240 27 E 4.3024 7.8735 121.5387 54.7456 31.7459 173.5634 28 E 4.1945 8.6300 127.7885 55.5975 30.2826 175.8940 29 K 4.5966 8.6810 126.1733 53.8277 33.9285 174.8375 30 P 4.6194 0.0000 0.0000 62.9221 32.0194 175.3076 31 F 5.1189 7.9303 112.8638 55.5886 40.9235 172.8639 32 D 4.8068 9.5320 121.5708 52.1279 42.9103 176.8566 33 F 4.0016 8.9728 128.8005 61.6176 39.5391 175.8241 34 Y 4.2000 8.2496 118.6218 61.0788 38.1912 177.6667 35 K 4.2656 8.9666 120.9943 56.6110 31.8784 179.6337 36 D 4.9015 8.4155 116.4012 54.4408 42.2975 177.5815 *38 K 3.8633 7.9663 120.8489 55.7790 33.9863 175.8521 39 P 4.3116 0.0000 0.0000 65.3746 31.1794 178.4163 40 F 4.0882 8.0125 119.2072 61.3872 39.3404 177.4520 41 V 3.6725 7.8829 117.4207 65.9903 31.3465 177.3888 42 D 4.3233 8.6378 119.0292 57.4167 40.6470 178.4796 43 E 3.8218 8.2244 119.3920 59.1450 29.6079 178.5042 44 A 3.8337 7.7450 120.7942 55.1343 18.3123 179.5506 45 K 3.8634 8.2578 118.1902 59.4982 32.2220 178.9236 46 R 3.8737 8.1544 119.1368 59.6850 30.0101 178.2270 47 C 4.0905 8.2325 116.2528 62.8003 28.0521 176.0920 48 A 4.0422 8.1405 122.2737 55.3105 17.9875 179.4647 49 D 4.3278 8.5024 117.8580 57.5847 40.6176 178.7226 50 D 4.3639 8.3454 119.5268 57.2376 40.7396 178.6398 51 F 4.1004 8.3212 121.0216 61.4814 39.5064 177.2417 52 L 3.7783 8.3587 118.8017 57.5105 41.1239 178.7919 53 E 3.8819 8.0135 118.7024 59.2898 29.7229 178.3169 54 L 4.3264 7.3170 117.4310 56.3808 42.3049 178.8683 55 A 3.9098 7.7565 121.2761 54.8258 18.2441 179.7697 56 I 3.6267 7.7181 118.2907 64.1923 37.2804 176.7500 57 P 4.2546 0.0000 0.0000 65.3306 31.1638 178.3999 58 W 4.1749 8.2421 127.3092 60.5845 30.4944 178.5136 59 V 2.9575 8.2569 119.3350 64.2426 30.5958 177.5919 60 N 4.3833 7.8345 115.5880 54.5804 38.6801 176.7193 61 T 4.2070 7.4113 110.3536 63.9268 69.8686 176.5429 62 E 3.9689 8.2355 120.1499 55.8834 30.8307 176.7763 63 R 3.5602 7.0602 117.2662 56.1784 28.2119 174.5197 64 P 4.0327 0.0000 0.0000 61.5935 32.3444 174.8197 65 P 3.8313 0.0000 0.0000 64.3307 31.5461 175.7853 66 Y 3.7441 8.1227 119.0461 58.5047 35.4276 169.5884 67 L 4.8089 7.5535 118.6993 53.6094 45.4012 175.2301 68 G 4.1217 9.0067 113.6371 43.3814 0.0000 172.2468 69 E 3.9066 8.8259 118.1140 59.2968 29.5065 178.9393 70 L 3.9386 7.8739 119.8376 58.2956 42.2040 178.6248 71 Q 4.0089 8.0999 117.4263 59.1358 28.7569 178.9052 72 L 4.1701 7.8105 119.9970 57.8918 41.6429 179.7650 73 R 4.0237 8.3592 118.3080 59.3801 29.9479 179.1854 74 Q 4.1454 8.5200 117.9971 58.7654 28.2925 178.4026 75 A 3.9384 8.0667 121.8893 55.4784 18.3603 179.5788 76 C 4.0782 8.0750 114.9243 62.9621 28.0111 175.8060 77 D 4.3931 8.2356 119.8464 57.6708 40.4975 178.4091 78 N 4.4286 8.0579 115.7009 56.3710 38.8161 177.2742 79 V 3.7538 7.3813 119.1407 65.7789 31.6464 177.9699 80 Q 3.9203 7.7372 116.5866 56.9964 28.7160 177.5668 *82 T 3.6804 7.9708 110.5169 60.8079 70.7390 175.7805 83 A 4.3376 8.0517 123.5219 55.1088 18.1595 179.5196 84 V 3.8203 7.8058 116.2939 66.4488 31.6721 178.6087 85 S 4.2663 8.1399 113.9588 61.2308 62.1636 176.1926 86 A 4.1994 8.4674 123.8071 54.9850 17.8309 178.9275 87 F 4.1443 7.7119 113.6165 57.6530 39.3473 174.9022 88 N 4.8951 8.2597 118.3606 51.2732 39.4531 174.9069 89 G 3.5689 9.2892 116.1573 47.7659 0.0000 172.9985 90 R 4.4164 8.1823 117.5724 56.0120 30.4318 176.9252 91 S 4.1174 7.9917 115.0494 58.6413 63.5768 174.9882 92 F 4.7397 8.5468 122.8046 57.8557 39.6800 175.7541 93 Y 4.5645 8.9955 126.0892 60.3808 38.8738 177.8282 94 K 4.0298 8.3649 120.0686 59.8588 32.3718 178.1370 95 H 4.3439 8.2663 115.9597 58.8808 28.7233 177.2815 96 F 3.8299 8.2417 122.2531 61.1694 39.1698 176.4922 97 L 3.5888 8.2665 120.3863 58.6068 41.7913 178.8549 98 D 4.2991 8.4844 118.7626 57.5530 40.7841 178.6227 99 H 3.9339 8.3469 116.7629 58.7891 28.7111 177.1111 100 Y 4.0237 8.3037 121.6548 60.9622 38.5649 178.3591 101 Q 2.8781 7.9413 119.2000 58.2325 28.6576 178.4754 102 S 3.8793 7.6084 114.1445 61.6847 62.3488 176.3432 103 T 3.7113 7.3575 117.7281 66.4547 68.1030 176.4291 104 K 3.6627 7.4048 121.3435 59.5253 32.1229 178.3303 105 Y 4.3549 7.7423 117.2617 61.5671 37.9508 178.8866 106 T 3.9079 7.9072 116.4293 66.7988 68.5464 176.8816 107 L 4.0842 8.1558 121.2420 57.6426 41.5871 179.5723 108 T 3.9326 8.1936 110.2090 64.6181 68.6689 176.6688 109 R 3.9482 8.0434 121.6007 59.1728 30.1169 178.7132 110 V 3.7254 7.7781 117.5768 65.9780 31.5426 177.7994 111 R 3.8898 8.3360 118.8121 59.8074 29.9596 178.2137 112 D 4.4094 8.5760 118.9555 57.1789 40.7850 178.5646 113 F 4.1325 8.4631 121.2025 61.4271 39.4865 177.2688 114 L 4.0785 8.3652 118.6377 57.7144 41.3359 179.6278 115 K 4.1612 8.4905 118.9181 59.4631 31.7369 179.5922 116 R 3.8703 7.7616 117.3261 59.2708 30.0800 178.9629 117 K 3.9816 7.6764 116.9611 59.1282 32.0265 178.7230 118 E 4.1490 8.5335 121.6235 59.6083 30.7743 179.0535 119 E 4.4770 8.2055 118.2234 56.1436 27.5208 178.3876 120 S 4.3817 7.4753 119.7484 59.1925 62.5547 175.2832 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 8.04 4.49 0.00 1.85 1.80 0.92 0.49 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 -3 Y 8.28 3.84 0.00 2.88 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 -2 F 8.90 4.37 0.00 3.17 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 -1 Q 8.40 4.15 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.70 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 0 G 7.95 3.59 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 0.00 0.00 0.00 -2 E 9.02 4.10 0.00 2.09 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 2.31 2.27 0.00 -1 L 8.24 4.15 0.00 1.74 1.82 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0 L 7.78 3.97 0.00 1.36 1.50 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.69 3.84 2.00 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 1.63 0.40 0.91 0.00 0.00 6 R 7.95 4.01 0.00 2.04 2.10 0.00 3.11 0.00 0.00 3.41 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 7 T 7.95 3.83 4.42 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 1.19 0.00 0.00 8 E 8.09 3.92 0.00 2.15 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 2.39 2.47 0.00 9 Q 8.23 3.91 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 10 L 8.01 3.87 0.00 1.74 1.47 0.82 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.04 3.90 0.00 1.85 1.68 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.18 3.98 0.00 1.88 1.82 0.95 1.13 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 13 Q 8.16 3.88 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 14 N 8.26 4.37 0.00 2.96 3.01 0.00 0.00 7.27 7.20 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 15 E 8.46 4.27 0.00 2.32 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 0.00 2.68 2.60 0.00 16 K 8.40 4.06 0.00 2.11 2.14 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.74 7.81 17 N 8.60 4.60 0.00 3.20 3.21 0.00 0.00 6.69 7.19 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 18 W 8.31 4.31 0.00 2.90 2.95 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 0.00 0.00 0.00 19 E 8.58 3.67 0.00 1.99 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 2.59 2.49 0.00 20 L 8.08 3.69 0.00 1.51 1.59 0.46 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.66 4.09 0.00 2.57 2.46 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 22 L 7.25 3.19 0.00 1.17 1.22 0.15 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.67 3.91 0.00 3.90 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 24 N 7.93 4.56 0.00 2.67 3.03 0.00 0.00 6.23 7.25 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 25 R 7.39 3.86 0.00 1.04 1.58 0.00 2.87 0.00 0.00 2.81 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.54 0.00 26 E 7.62 4.17 0.00 2.11 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 2.32 2.18 0.00 27 E 7.87 4.30 0.00 1.94 1.68 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 2.17 2.20 0.00 28 E 8.63 4.19 0.00 1.93 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 2.33 2.40 0.00 29 K 8.68 4.60 0.00 1.89 1.74 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.47 7.81 30 P 0.00 4.62 0.00 2.18 2.05 0.00 3.78 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 2.02 1.96 0.00 31 F 7.93 5.12 0.00 3.19 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 32 D 9.53 4.81 0.00 2.73 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 33 F 8.97 4.00 0.00 2.85 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 34 Y 8.25 4.20 0.00 3.25 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 35 K 8.97 4.27 0.00 1.74 1.72 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.28 7.81 36 D 8.42 4.90 0.00 2.93 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 *38 K 7.97 3.86 0.00 1.00 1.55 0.00 1.85 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.34 7.81 39 P 0.00 4.31 0.00 2.26 2.12 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.16 0.00 40 F 8.01 4.09 0.00 3.44 3.25 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 41 V 7.88 3.67 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 1.11 0.00 0.00 1.04 0.00 0.00 42 D 8.64 4.32 0.00 2.86 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 43 E 8.22 3.82 0.00 2.02 2.03 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 2.17 2.37 0.00 44 A 7.74 3.83 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 45 K 8.26 3.86 0.00 1.95 1.98 0.00 1.54 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.63 7.81 46 R 8.15 3.87 0.00 1.90 2.07 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 47 C 8.23 4.09 0.00 3.13 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 48 A 8.14 4.04 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 49 D 8.50 4.33 0.00 2.69 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 50 D 8.35 4.36 0.00 3.02 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 51 F 8.32 4.10 0.00 3.10 3.28 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 0.00 52 L 8.36 3.78 0.00 1.75 1.71 0.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.01 3.88 0.00 2.10 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 2.31 2.37 0.00 54 L 7.32 4.33 0.00 1.48 1.57 0.87 0.87 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 55 A 7.76 3.91 0.44 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 56 I 7.72 3.63 1.85 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 1.68 1.38 0.93 0.00 0.00 57 P 0.00 4.25 0.00 2.19 2.12 0.00 3.65 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 2.24 2.15 0.00 58 W 8.24 4.17 0.00 3.36 3.37 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 59 V 8.26 2.96 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 0.80 0.00 0.00 0.67 0.00 0.00 60 N 7.83 4.38 0.00 2.70 2.85 0.00 0.00 6.97 7.14 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 61 T 7.41 4.21 4.22 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 1.26 0.00 0.00 62 E 8.24 3.97 0.00 1.24 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 2.69 0.00 63 R 7.06 3.56 0.00 1.73 1.77 0.00 3.33 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 64 P 0.00 4.03 0.00 1.56 1.07 0.00 3.20 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.44 0.00 65 P 0.00 3.83 0.00 2.04 1.67 0.00 3.73 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 2.12 2.06 0.00 66 Y 8.12 3.74 0.00 3.14 2.96 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 67 L 7.55 4.81 0.00 1.56 1.33 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 68 G 9.01 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 69 E 8.83 3.91 0.00 2.02 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 2.38 2.37 0.00 70 L 7.87 3.94 0.00 1.79 1.65 0.93 0.94 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 71 Q 8.10 4.01 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 72 L 7.81 4.17 0.00 1.90 1.96 1.10 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.36 4.02 0.00 2.00 2.00 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 74 Q 8.52 4.15 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 75 A 8.07 3.94 1.34 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 0.00 0.00 76 C 8.08 4.08 0.00 3.23 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 77 D 8.24 4.39 0.00 2.78 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 78 N 8.06 4.43 0.00 2.83 2.83 0.00 0.00 7.02 7.20 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 79 V 7.38 3.75 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 0.95 0.00 0.00 0.93 0.00 0.00 80 Q 7.74 3.92 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.15 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 *82 T 7.97 3.68 3.67 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 0.48 0.00 0.00 83 A 8.05 4.34 1.62 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 0.00 0.00 84 V 7.81 3.82 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 1.07 0.00 0.00 0.98 0.00 0.00 85 S 8.14 4.27 0.00 3.82 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 86 A 8.47 4.20 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 87 F 7.71 4.14 0.00 2.58 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 0.00 0.00 0.00 0.00 88 N 8.26 4.90 0.00 2.85 2.89 0.00 0.00 6.97 7.56 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 89 G 9.29 3.57 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 0.00 0.00 0.00 90 R 8.18 4.42 0.00 1.99 1.99 0.00 3.21 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 91 S 7.99 4.12 0.00 4.03 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 92 F 8.55 4.74 0.00 3.14 2.86 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 93 Y 9.00 4.56 0.00 3.31 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 94 K 8.36 4.03 0.00 2.02 1.85 0.00 1.85 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.71 1.63 7.81 95 H 8.27 4.34 0.00 3.50 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 F 8.24 3.83 0.00 2.98 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 97 L 8.27 3.59 0.00 1.52 1.84 0.76 1.29 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 98 D 8.48 4.30 0.00 2.90 2.64 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 99 H 8.35 3.93 0.00 3.21 3.20 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.30 4.02 0.00 2.93 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 0.00 101 Q 7.94 2.88 0.00 1.74 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.56 0.00 0.00 0.00 0.00 0.00 1.76 2.15 0.00 102 S 7.61 3.88 0.00 3.82 3.69 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 0.00 103 T 7.36 3.71 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 1.06 0.00 0.00 104 K 7.40 3.66 0.00 1.20 1.20 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 1.31 7.81 105 Y 7.74 4.35 0.00 3.01 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 0.00 106 T 7.91 3.91 4.22 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 1.27 0.00 0.00 107 L 8.16 4.08 0.00 1.61 1.55 0.60 0.32 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 0.00 108 T 8.19 3.93 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 1.30 0.00 0.00 109 R 8.04 3.95 0.00 1.99 2.24 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 110 V 7.78 3.73 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 0.79 0.00 0.00 1.26 0.00 0.00 111 R 8.34 3.89 0.00 1.98 2.10 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 112 D 8.58 4.41 0.00 2.83 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 0.00 113 F 8.46 4.13 0.00 3.30 3.38 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 0.00 114 L 8.37 4.08 0.00 1.89 1.65 0.56 0.78 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 0.00 115 K 8.49 4.16 0.00 1.77 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.63 7.81 116 R 7.76 3.87 0.00 1.90 1.86 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 117 K 7.68 3.98 0.00 2.00 1.83 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.32 7.81 118 E 8.53 4.15 0.00 1.89 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 2.35 2.39 0.00 119 E 8.21 4.48 0.00 2.08 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 2.24 2.18 0.00 120 S 7.48 4.38 0.00 3.89 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 * Residues marked with a * may have inaccurate shift predictions.