NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.3168 8.2993 120.0037 56.9285 34.0580 175.3694 12 F 4.3569 9.0591 115.1642 54.8927 38.4433 179.2063 13 R 3.0972 9.2817 114.9999 53.6681 32.1991 176.9632 14 V 3.0064 5.5432 119.7279 59.6453 32.8229 172.7266 15 R 3.4862 7.1786 114.6009 57.1001 28.9865 178.0818 16 N 4.4507 7.8934 120.1260 56.1189 38.1365 177.1585 17 R 3.2217 8.0673 115.7872 59.0805 29.2491 177.7924 18 I 3.8664 7.1644 116.4910 62.7941 37.0314 176.1747 19 K 4.3067 8.7031 122.4798 56.1475 31.9458 176.0278 20 R 4.1998 7.7027 117.6189 55.9670 30.5190 176.5858 21 T 4.1964 7.5089 118.3707 64.7145 70.8560 173.2894 22 G 4.8120 9.7707 127.0700 45.3345 0.0000 170.6162 23 R 3.3214 8.3460 120.5419 56.2724 29.4080 174.0196 24 L 4.2176 8.5794 119.9324 54.0582 40.2997 173.7396 25 R 4.5570 8.1335 118.8849 54.2521 32.7863 174.7609 26 L 4.7659 7.6716 123.7686 53.8080 41.1118 176.0304 27 S 4.2508 8.0330 122.9056 58.3412 64.6885 172.2002 28 V 4.2753 6.9891 118.5213 64.4992 33.0571 172.1190 29 F 5.3084 8.0911 127.6708 58.6625 41.5502 173.4682 30 R 4.6907 8.8966 129.4908 54.5972 29.6714 174.9066 31 S 4.8254 8.1761 118.1649 56.5071 63.6526 173.9987 32 L 4.2085 8.6615 123.3425 57.3436 42.8110 178.7371 33 K 4.0408 8.2678 115.1269 57.3862 31.2543 177.9911 34 H 4.2699 9.0876 120.3273 56.7633 30.8407 175.1430 35 I 4.6488 7.7224 120.1455 57.6980 37.5805 174.7034 36 Y 4.2869 8.6849 122.7047 58.4967 38.6659 175.7105 37 A 5.7618 7.9959 130.5156 53.7666 18.3151 176.0986 38 Q 4.4889 7.6236 120.4222 54.8306 31.5377 175.6595 39 I 5.0813 8.0038 119.4086 60.4002 41.4780 174.7254 40 I 4.5731 8.4059 118.0675 60.3208 41.7479 172.5490 41 D 4.9251 8.3354 120.2957 53.1420 44.5746 175.3660 42 D 5.0459 8.6196 125.5576 54.0756 43.1471 175.1339 43 E 4.1992 8.8502 124.1353 57.3311 29.3422 175.4870 44 K 4.2051 7.4248 113.9720 56.4637 33.1566 177.1416 45 G 3.9514 7.8282 105.6890 46.8362 0.0000 172.8474 46 V 4.5689 7.3708 121.1371 61.5889 33.7193 174.4602 47 T 4.6238 8.0088 115.1973 62.5641 70.0294 174.1954 48 L 4.0643 8.3831 126.4632 56.4121 42.5823 177.5933 49 V 4.3896 6.9582 119.3725 63.6688 34.4185 174.1526 50 S 4.8806 8.4252 113.4035 58.6822 64.7488 177.5863 51 A 4.1733 8.3392 118.1041 52.2444 20.3487 176.0966 52 S 4.5224 8.4264 124.2162 58.8226 65.9628 172.5914 53 S 4.5018 8.4293 116.5384 59.5787 62.0000 176.7792 54 L 3.7407 5.6200 123.9112 57.8587 42.4934 177.2047 55 A 4.1059 7.4049 117.6188 53.1076 18.2027 176.8799 56 L 4.5039 7.7891 118.3299 54.1675 42.4842 176.8519 57 K 3.6423 8.5348 114.7653 56.3025 31.4344 174.6572 58 L 4.1457 7.5893 118.4942 54.4477 42.6494 175.6544 59 K 3.9597 8.0669 122.7826 55.9751 33.4857 176.1617 60 G 4.1029 8.2690 109.7340 44.1413 0.0000 170.4754 61 N 5.0887 7.6039 116.8931 52.1527 43.0518 173.2205 62 K 4.4199 9.5203 119.0632 56.5788 33.5957 176.7794 63 T 4.2084 7.3382 108.2593 61.7977 70.2987 176.4920 64 E 3.8029 8.0487 120.7746 58.5011 30.0149 179.5079 65 V 3.7200 8.1387 119.0255 65.6926 31.4778 177.2771 66 A 3.9775 8.1588 120.0368 56.2315 18.1686 179.2222 67 R 3.8297 8.1126 113.9473 60.7087 29.9133 178.3298 68 Q 3.9256 8.3917 116.5470 59.6753 28.7927 179.6832 69 V 3.7342 8.0839 122.8986 65.0164 31.5831 177.8563 70 G 3.8003 8.0573 107.0807 46.4607 0.0000 175.7247 71 R 3.9115 8.8822 120.1772 58.8832 30.2124 178.9205 72 A 4.0250 8.2233 119.2181 55.8239 18.0830 178.4489 73 L 3.7886 8.3533 118.4534 57.6965 41.8138 178.5727 74 A 4.2311 8.0594 119.2759 55.6543 18.4067 178.9946 75 E 3.8484 8.0362 116.3519 60.2481 29.5526 178.5928 76 K 4.1213 9.5435 118.8018 57.6886 31.6148 178.3409 77 A 4.1166 7.6247 121.2817 55.6481 19.0130 181.1435 78 L 4.4603 7.9426 114.7326 54.2528 40.6143 178.4887 79 A 4.5992 9.2320 118.2364 52.7551 20.2246 177.9567 80 L 4.6436 7.8205 117.4325 54.9351 43.8523 177.6220 81 G 3.8403 8.6104 105.9257 45.6876 0.0000 172.9950 82 I 4.3921 7.5642 119.3493 59.2430 39.3634 174.8129 83 K 4.1837 8.4956 127.1240 57.5011 32.9604 176.2364 84 Q 4.8613 7.3694 115.4782 54.5852 31.4426 175.5339 85 V 4.1552 7.6484 112.4076 61.4388 37.0447 170.9384 86 A 4.5747 8.4437 126.6884 52.2621 22.5171 174.2837 87 F 5.0761 8.6661 116.0847 56.6456 43.0975 175.4882 88 D 3.7305 6.0500 122.5426 55.1449 43.0907 173.7926 89 R 3.7141 8.6954 125.3310 55.2643 28.2216 175.7656 90 G 3.5470 7.9552 112.6936 49.4501 0.0000 170.9182 91 P 4.6781 0.0000 0.0000 62.4548 31.0999 177.7682 92 Y 4.0820 7.8067 116.3703 59.4447 37.9321 176.2203 93 K 2.9395 5.6600 126.5335 54.8259 29.8629 173.6110 94 Y 4.3524 7.6700 122.5736 57.2226 40.3950 175.1868 95 H 3.9957 8.2939 122.7550 56.1223 30.2098 173.7213 96 G 3.6068 8.7414 115.2336 46.5331 0.0000 176.0637 97 R 4.3259 8.1978 114.0296 54.9814 29.6613 179.7362 98 V 3.3214 9.0427 121.9204 65.3332 31.4485 177.9107 99 K 3.8288 6.8739 113.1024 57.9857 31.0269 177.1134 100 A 3.7838 7.3166 121.4373 52.2125 14.7887 175.2590 101 L 4.5877 7.7924 119.5229 53.6680 42.6443 177.4672 102 A 4.2398 8.3946 124.9346 51.6709 19.7915 177.2705 103 E 3.3630 9.2610 115.6500 57.9247 29.6786 173.2446 104 G 3.7340 8.6903 107.4283 45.8915 0.0000 173.8617 105 A 4.1654 8.6286 125.3274 52.8111 18.3520 179.5225 106 R 3.9165 8.4053 120.3791 60.7920 29.9892 175.5095 107 E 3.7748 8.5290 122.0515 55.9863 26.8993 173.3138 108 G 4.1158 8.1062 120.8180 45.9262 0.0000 171.0252 *109 G 3.7078 8.0481 113.2606 45.1325 0.0000 172.3834 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 11 K 8.30 4.32 0.00 2.03 1.94 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.44 7.81 12 F 9.06 4.36 0.00 3.29 3.18 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 0.00 13 R 9.28 3.10 0.00 1.99 2.01 0.00 3.14 0.00 0.00 3.13 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 14 V 5.54 3.01 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 0.70 0.00 0.00 0.57 0.00 0.00 15 R 7.18 3.49 0.00 2.05 2.34 0.00 2.99 0.00 0.00 3.35 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 16 N 7.89 4.45 0.00 2.96 3.13 0.00 0.00 5.80 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 17 R 8.07 3.22 0.00 1.94 2.36 0.00 2.91 0.00 0.00 3.28 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 18 I 7.16 3.87 1.85 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 1.15 0.68 0.89 0.00 0.00 19 K 8.70 4.31 0.00 1.65 1.83 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.38 7.81 20 R 7.70 4.20 0.00 1.90 1.82 0.00 3.50 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 21 T 7.51 4.20 4.23 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 1.20 0.00 0.00 22 G 9.77 4.81 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 23 R 8.35 3.32 0.00 1.93 1.90 0.00 3.36 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 24 L 8.58 4.22 0.00 1.81 1.67 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.13 4.56 0.00 1.75 1.94 0.00 2.99 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 26 L 7.67 4.77 0.00 1.82 1.47 1.25 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.03 4.25 0.00 3.96 3.74 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 28 V 6.99 4.28 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 0.89 0.00 0.00 0.86 0.00 0.00 29 F 8.09 5.31 0.00 2.98 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 30 R 8.90 4.69 0.00 1.90 1.98 0.00 3.40 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 31 S 8.18 4.83 0.00 3.38 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 32 L 8.66 4.21 0.00 1.69 1.77 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.27 4.04 0.00 1.70 1.53 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.43 7.81 34 H 9.09 4.27 0.00 2.99 2.92 0.00 5.58 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.72 4.65 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.67 0.89 0.00 0.00 36 Y 8.68 4.29 0.00 2.87 3.03 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 37 A 8.00 5.76 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 38 Q 7.62 4.49 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 39 I 8.00 5.08 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.52 0.92 0.00 0.00 40 I 8.41 4.57 1.92 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 1.09 0.48 0.95 0.00 0.00 41 D 8.34 4.93 0.00 2.79 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 42 D 8.62 5.05 0.00 2.67 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 43 E 8.85 4.20 0.00 2.09 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 0.00 2.17 2.31 0.00 44 K 7.42 4.21 0.00 1.85 1.83 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.59 1.51 7.81 45 G 7.83 3.95 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 0.00 0.00 0.00 46 V 7.37 4.57 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 1.03 0.00 0.00 0.94 0.00 0.00 47 T 8.01 4.62 4.25 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 1.35 0.00 0.00 48 L 8.38 4.06 0.00 1.62 1.73 0.92 0.88 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 49 V 6.96 4.39 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 0.80 0.00 0.00 0.94 0.00 0.00 50 S 8.43 4.88 0.00 3.92 3.83 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 51 A 8.34 4.17 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 52 S 8.43 4.52 0.00 3.71 3.46 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 53 S 8.43 4.50 0.00 3.83 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 54 L 5.62 3.74 0.00 1.51 1.29 0.90 0.98 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 55 A 7.40 4.11 1.08 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 56 L 7.79 4.50 0.00 1.54 1.79 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.53 3.64 0.00 1.80 1.81 0.00 1.85 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.48 7.81 58 L 7.59 4.15 0.00 1.74 1.62 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.07 3.96 0.00 1.73 1.71 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.48 7.81 60 G 8.27 4.10 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 0.00 0.00 0.00 61 N 7.60 5.09 0.00 2.62 2.66 0.00 0.00 7.15 6.68 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 62 K 9.52 4.42 0.00 1.67 1.81 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.33 7.81 63 T 7.34 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 1.19 0.00 0.00 64 E 8.05 3.80 0.00 2.07 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 2.40 2.47 0.00 65 V 8.14 3.72 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 1.27 0.00 0.00 0.93 0.00 0.00 66 A 8.16 3.98 1.40 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 67 R 8.11 3.83 0.00 1.89 1.96 0.00 3.15 0.00 0.00 3.33 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 68 Q 8.39 3.93 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 69 V 8.08 3.73 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 0.84 0.00 0.00 1.05 0.00 0.00 70 G 8.06 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 71 R 8.88 3.91 0.00 1.92 2.04 0.00 3.12 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 72 A 8.22 4.03 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 73 L 8.35 3.79 0.00 2.08 1.78 1.01 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.06 4.23 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 75 E 8.04 3.85 0.00 2.28 2.32 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 2.34 2.40 0.00 76 K 9.54 4.12 0.00 1.85 1.75 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.76 7.81 77 A 7.62 4.12 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 78 L 7.94 4.46 0.00 1.78 1.71 0.93 0.99 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 79 A 9.23 4.60 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 80 L 7.82 4.64 0.00 1.67 1.66 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.61 3.84 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 0.00 0.00 0.00 82 I 7.56 4.39 1.88 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 1.30 1.00 0.92 0.00 0.00 83 K 8.50 4.18 0.00 1.78 1.75 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.42 7.81 84 Q 7.37 4.86 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.44 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 85 V 7.65 4.16 2.30 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 0.61 0.00 0.00 0.98 0.00 0.00 86 A 8.44 4.57 1.20 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 87 F 8.67 5.08 0.00 2.97 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 88 D 6.05 3.73 0.00 2.31 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 0.00 0.00 0.00 89 R 8.70 3.71 0.00 1.95 2.16 0.00 3.43 0.00 0.00 3.32 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.98 0.00 90 G 7.96 3.55 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 0.00 91 P 0.00 4.68 0.00 2.37 2.25 0.00 3.80 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 92 Y 7.81 4.08 0.00 3.31 3.27 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 93 K 5.66 2.94 0.00 1.65 1.74 0.00 1.47 0.00 0.00 1.47 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.41 7.81 94 Y 7.67 4.35 0.00 3.18 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 95 H 8.29 4.00 0.00 3.09 3.50 0.00 6.06 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.74 3.61 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 0.00 0.00 0.00 97 R 8.20 4.33 0.00 2.12 2.20 0.00 3.22 0.00 0.00 3.39 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 98 V 9.04 3.32 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 1.01 0.00 0.00 0.64 0.00 0.00 99 K 6.87 3.83 0.00 2.02 1.97 0.00 1.87 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.79 1.70 7.81 100 A 7.32 3.78 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 0.00 101 L 7.79 4.59 0.00 1.74 1.79 0.94 0.62 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 0.00 102 A 8.39 4.24 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 0.00 103 E 9.26 3.36 0.00 2.22 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 2.20 2.24 0.00 104 G 8.69 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 0.00 0.00 0.00 105 A 8.63 4.17 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 0.00 106 R 8.41 3.92 0.00 1.80 2.15 0.00 3.47 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 107 E 8.53 3.77 0.00 2.08 2.16 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 2.14 2.32 0.00 108 G 8.11 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 *109 G 8.05 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.