NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.2609 8.2544 119.7059 55.6110 30.5832 172.8251 6 S 4.1486 7.6962 112.7640 56.4859 64.7747 172.1333 7 I 3.9222 8.7156 131.6419 60.7505 38.3372 175.1074 8 A 4.2289 8.4194 128.8554 51.4014 19.3765 176.8956 9 I 4.1445 8.0857 123.8211 60.0927 36.8127 175.4076 10 D 4.5088 8.7113 126.4613 56.7656 41.4760 176.5816 11 S 4.6960 7.5127 109.8987 57.2348 65.4803 172.7663 12 Y 4.7577 8.4689 122.6872 55.8368 41.0066 174.2495 13 Q 4.1879 8.3003 128.1059 54.2722 29.9531 174.2526 14 E 3.8622 8.1268 126.7935 57.8227 30.3088 176.4471 15 D 4.5826 8.0281 117.7957 52.7371 41.5815 174.3625 16 P 4.3200 0.0000 0.0000 63.1641 31.2121 175.4005 17 S 4.4137 7.8511 115.9380 58.1011 65.7928 174.5381 18 V 4.2899 7.3465 115.4891 58.6829 33.8296 175.5849 19 V 4.2305 7.8675 119.9987 61.0487 34.0203 174.9032 20 V 4.0400 8.2732 126.6880 61.3294 31.7835 174.7523 21 S 4.2729 8.2745 122.1894 56.8064 63.4104 172.7788 22 N 4.8518 8.1151 124.6983 51.9721 41.5953 173.1979 23 F 4.5332 9.0695 125.3979 57.2997 38.1289 178.2308 24 F 5.0829 8.3235 122.3633 55.2742 41.4435 174.3312 25 K 4.0057 8.7164 121.3632 58.0933 32.0612 177.5977 26 G 3.9760 9.0231 112.0143 45.2243 0.0000 173.4781 27 V 2.9933 6.8211 118.7682 61.5471 31.3746 175.8556 28 R 4.3485 8.3132 121.7866 54.3973 31.8271 175.0640 29 V 4.2066 8.0326 123.1158 59.8844 33.2391 173.5871 30 P 4.3056 0.0000 0.0000 62.4637 31.7829 177.0677 31 K 3.8832 8.8972 123.9942 59.6296 32.1305 177.5158 32 D 4.4601 8.0239 116.9739 55.8296 39.7750 176.8888 33 T 3.6928 7.5649 116.5152 64.1584 68.7852 172.8272 34 E 4.7058 8.4633 125.4526 54.5383 31.4761 175.3336 35 F 5.0302 8.7396 121.0327 55.7031 42.3998 174.5182 36 Q 4.5950 8.5953 120.2607 53.9625 32.0842 174.6675 37 L 4.7099 8.0620 122.2129 53.2834 44.2443 175.1657 38 Y 4.7212 8.5185 122.4137 55.9182 40.9079 174.6646 39 K 4.5896 8.4736 124.6709 53.9829 34.4361 175.5895 40 K 4.1514 8.5007 127.1608 55.9667 32.8489 176.6360 41 R 4.0852 8.4673 125.1869 56.2773 30.5615 175.9998 42 K 4.6727 8.3468 122.2851 54.5788 35.4916 174.7695 43 Q 4.6434 8.3405 123.6791 54.2514 31.7483 174.7601 44 D 4.5887 8.6396 124.1575 53.8219 42.0043 175.4595 45 Q 4.7332 7.9868 119.4060 54.2544 31.2190 175.2515 46 F 5.0503 8.8194 119.6890 55.6445 43.5762 173.8898 47 V 4.8853 8.5808 119.9698 61.0660 34.1611 174.2524 48 L 4.8510 9.4064 129.9028 53.5100 44.5949 174.3745 49 H 5.4555 8.9986 125.2894 54.4588 32.9031 172.4781 50 G 4.3295 9.1476 111.4622 44.7565 0.0000 171.0834 51 E 5.3502 8.6812 119.2981 54.9013 33.7683 175.2498 52 N 5.1572 8.7464 119.4183 52.4475 41.7123 173.8532 53 E 4.2408 9.0678 116.0292 59.4470 30.4886 177.4778 54 R 4.5012 7.8829 116.6917 55.6950 32.0716 175.4050 55 L 4.9757 7.5548 116.4707 52.8619 46.5949 174.9333 56 E 5.0968 9.0049 120.9847 54.7859 32.8290 174.5648 57 Y 5.1037 9.1785 121.7859 56.3329 40.9726 174.5588 58 D 5.3138 9.2178 123.8539 52.7090 45.1505 174.9922 59 G 4.6429 9.6354 109.7745 45.1013 0.0000 170.9405 60 E 5.4377 8.6514 117.5755 54.8245 33.6358 174.7269 61 T 4.8003 8.3671 111.0097 60.5333 70.7684 173.4949 62 D 4.7586 8.4238 121.3977 52.6378 42.3934 176.0290 63 E 3.9262 9.2088 127.7181 59.6815 29.7675 178.3786 64 L 4.1134 7.8841 119.3648 58.4733 42.2711 178.6780 65 T 4.0698 8.2831 116.8135 66.3413 68.2330 176.6212 66 T 4.3747 7.7964 111.4856 63.8201 68.6859 175.9465 67 K 4.2451 7.8759 120.7622 58.2143 32.5859 178.2794 68 T 4.3077 7.7707 109.0678 62.2109 69.6762 174.2984 69 N 4.9764 8.1902 116.8443 50.7704 42.4074 173.4500 70 Q 4.6256 8.2270 117.3646 54.6255 31.4268 174.4757 71 Y 4.6173 8.1750 117.7272 56.2159 41.9359 173.9530 *73 V 4.2220 8.1378 118.3658 63.3082 32.8112 174.8788 74 G 4.5348 8.8563 113.8124 44.4293 0.0000 172.2245 75 L 4.8150 8.9482 122.9435 53.1587 43.5245 174.5389 76 Y 5.1933 8.6290 125.3296 55.9437 40.7769 174.4254 77 D 4.4316 8.2864 126.7693 52.4155 42.0284 176.5667 78 K 3.5193 8.5359 126.1913 59.7720 32.2228 178.8111 79 Q 4.0647 7.8966 115.7126 59.0427 28.8072 178.0395 80 S 4.1392 8.6267 111.9048 59.0085 63.4444 174.2297 81 G 3.8837 7.9640 109.2136 46.8857 0.0000 173.3708 82 K 4.7868 7.7067 117.1090 54.1056 35.7769 175.5479 83 I 5.1295 8.4356 122.6759 59.3233 41.4760 174.1927 84 N 4.8926 9.0138 125.3395 51.6334 40.7889 173.5103 85 L 5.0745 8.2303 123.8874 53.5647 43.7773 176.0884 86 Y 4.6333 8.6872 119.7394 56.0475 41.1593 175.3195 87 R 4.3959 8.8840 125.4216 56.4091 30.9753 175.5017 88 A 4.8423 8.7362 127.2252 49.3779 22.2311 174.2679 89 P 4.2842 0.0000 0.0000 62.5857 32.3852 175.9916 90 V 4.0141 8.1333 120.2507 61.3782 33.1989 174.1110 91 V 4.5576 8.2167 128.5607 61.3166 33.2404 174.7847 92 T 4.4143 8.6458 118.8785 60.9448 69.7933 174.0538 93 S 5.0794 8.6740 121.9965 56.5223 66.7376 173.1254 94 K 4.6892 9.0775 120.9969 54.7328 35.6297 175.1502 95 I 4.7000 8.2643 123.6678 59.5145 39.4434 175.2368 96 V 4.5081 8.3028 126.1419 60.7667 34.8120 174.9289 97 S 4.7729 8.7438 122.3065 58.1541 64.1284 174.1124 98 K 4.2370 8.0777 120.4661 57.1502 32.2613 176.2415 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 5 R 8.25 4.26 0.00 1.81 1.97 0.00 3.35 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 6 S 7.70 4.15 0.00 3.85 3.70 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 7 I 8.72 3.92 1.86 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 1.34 0.91 0.91 0.00 0.00 8 A 8.42 4.23 1.23 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 0.00 0.00 9 I 8.09 4.14 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.59 0.93 0.00 0.00 10 D 8.71 4.51 0.00 2.63 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 11 S 7.51 4.70 0.00 3.99 3.79 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 12 Y 8.47 4.76 0.00 2.80 2.87 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 13 Q 8.30 4.19 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.15 2.36 0.00 14 E 8.13 3.86 0.00 1.69 1.83 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 2.23 2.21 0.00 15 D 8.03 4.58 0.00 2.76 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 16 P 0.00 4.32 0.00 2.00 1.96 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 17 S 7.85 4.41 0.00 3.87 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 18 V 7.35 4.29 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 0.69 0.00 0.00 0.91 0.00 0.00 19 V 7.87 4.23 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 0.70 0.00 0.00 0.88 0.00 0.00 20 V 8.27 4.04 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 0.80 0.00 0.00 0.90 0.00 0.00 21 S 8.27 4.27 0.00 3.64 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 22 N 8.12 4.85 0.00 2.56 2.55 0.00 0.00 6.96 7.02 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 23 F 9.07 4.53 0.00 2.66 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 0.00 0.00 0.00 24 F 8.32 5.08 0.00 3.24 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 25 K 8.72 4.01 0.00 1.87 1.86 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.52 1.45 7.81 26 G 9.02 3.98 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 0.00 0.00 0.00 27 V 6.82 2.99 1.03 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 0.57 0.00 0.00 0.01 0.00 0.00 28 R 8.31 4.35 0.00 1.76 1.85 0.00 3.18 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 29 V 8.03 4.21 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 1.02 0.00 0.00 0.62 0.00 0.00 30 P 0.00 4.31 0.00 2.20 1.96 0.00 3.65 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 2.09 2.06 0.00 31 K 8.90 3.88 0.00 1.72 1.87 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 32 D 8.02 4.46 0.00 2.82 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 33 T 7.56 3.69 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 0.72 0.00 0.00 34 E 8.46 4.71 0.00 1.88 1.85 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 2.23 2.45 0.00 35 F 8.74 5.03 0.00 2.94 2.93 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 36 Q 8.60 4.60 0.00 2.01 1.51 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 2.22 2.32 0.00 37 L 8.06 4.71 0.00 1.49 1.41 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.52 4.72 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 39 K 8.47 4.59 0.00 1.69 1.69 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.39 7.81 40 K 8.50 4.15 0.00 1.77 1.71 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.47 7.81 41 R 8.47 4.09 0.00 1.85 1.88 0.00 3.22 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 42 K 8.35 4.67 0.00 1.65 1.61 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.40 7.81 43 Q 8.34 4.64 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 44 D 8.64 4.59 0.00 2.63 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 0.00 0.00 0.00 45 Q 7.99 4.73 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 46 F 8.82 5.05 0.00 2.91 2.90 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 47 V 8.58 4.89 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 0.83 0.00 0.00 0.97 0.00 0.00 48 L 9.41 4.85 0.00 1.75 1.50 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 49 H 9.00 5.46 0.00 3.16 3.17 0.00 5.92 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.15 4.33 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 0.00 51 E 8.68 5.35 0.00 1.85 1.85 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 2.26 2.39 0.00 52 N 8.75 5.16 0.00 3.04 2.86 0.00 0.00 6.95 7.23 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 53 E 9.07 4.24 0.00 2.08 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 2.26 2.28 0.00 54 R 7.88 4.50 0.00 1.88 1.97 0.00 3.07 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 55 L 7.55 4.98 0.00 1.34 1.04 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.00 5.10 0.00 1.91 1.82 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 2.24 2.24 0.00 57 Y 9.18 5.10 0.00 2.72 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 58 D 9.22 5.31 0.00 2.66 2.55 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 59 G 9.64 4.64 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 60 E 8.65 5.44 0.00 2.02 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 2.21 2.28 0.00 61 T 8.37 4.80 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 1.46 0.00 0.00 62 D 8.42 4.76 0.00 2.80 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.21 3.93 0.00 2.01 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 2.32 2.41 0.00 64 L 7.88 4.11 0.00 1.81 1.81 0.93 0.84 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 65 T 8.28 4.07 4.49 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 1.44 0.00 0.00 66 T 7.80 4.37 4.31 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 0.00 0.00 0.00 1.38 0.00 0.00 67 K 7.88 4.25 0.00 1.95 1.91 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.45 7.81 68 T 7.77 4.31 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 1.27 0.00 0.00 69 N 8.19 4.98 0.00 2.45 2.33 0.00 0.00 6.85 7.71 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 70 Q 8.23 4.63 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 71 Y 8.18 4.62 0.00 3.14 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 *73 V 8.14 4.22 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 1.05 0.00 0.00 0.95 0.00 0.00 74 G 8.86 4.53 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 0.00 0.00 0.00 75 L 8.95 4.81 0.00 1.75 1.69 1.00 0.57 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 76 Y 8.63 5.19 0.00 2.90 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 77 D 8.29 4.43 0.00 2.68 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 0.00 0.00 0.00 78 K 8.54 3.52 0.00 1.69 1.86 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.49 7.81 79 Q 7.90 4.06 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.11 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 80 S 8.63 4.14 0.00 3.91 3.94 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 0.00 0.00 0.00 81 G 7.96 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 0.00 0.00 0.00 82 K 7.71 4.79 0.00 1.65 1.68 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.54 7.81 83 I 8.44 5.13 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.21 0.95 0.00 0.00 84 N 9.01 4.89 0.00 2.88 2.66 0.00 0.00 6.92 6.02 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 85 L 8.23 5.07 0.00 1.41 1.53 0.90 0.85 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 86 Y 8.69 4.63 0.00 2.90 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 87 R 8.88 4.40 0.00 1.87 1.89 0.00 3.24 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 88 A 8.74 4.84 1.18 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 0.00 0.00 89 P 0.00 4.28 0.00 1.96 1.77 0.00 3.49 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.51 0.00 90 V 8.13 4.01 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 0.66 0.00 0.00 0.05 0.00 0.00 91 V 8.22 4.56 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 0.91 0.00 0.00 0.93 0.00 0.00 92 T 8.65 4.41 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 1.19 0.00 0.00 93 S 8.67 5.08 0.00 3.81 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 94 K 9.08 4.69 0.00 1.63 1.64 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.38 7.81 95 I 8.26 4.70 1.74 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.56 0.38 0.00 0.00 96 V 8.30 4.51 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 0.97 0.00 0.00 0.89 0.00 0.00 97 S 8.74 4.77 0.00 3.88 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 98 K 8.08 4.24 0.00 1.72 1.81 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.