NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5718 8.3193 115.4123 58.0314 64.5262 173.9068 1 T 3.9426 8.7010 114.3694 60.8638 70.6534 174.1380 2 K 3.9979 8.7448 120.8327 59.6518 32.5072 180.4103 3 L 4.0217 7.8696 119.8063 58.3888 42.0989 178.7761 4 E 4.0265 8.3396 118.4597 59.3488 29.3572 179.0170 5 E 4.1121 8.7188 119.1004 59.9030 29.5165 179.2393 6 H 4.3428 8.0198 115.5928 58.8445 28.7550 177.8673 7 L 4.0942 7.9508 120.6544 57.9623 41.4441 179.4868 8 E 4.1192 8.5468 118.7449 59.2547 29.3214 179.7018 9 G 3.7019 8.2146 105.9813 47.6473 0.0000 175.9718 10 I 3.8926 7.9926 122.2056 64.2855 37.2102 178.6075 11 V 3.6770 8.1004 119.1431 66.0974 31.3277 177.5143 12 N 4.4086 8.6450 117.1707 56.8072 38.3974 176.9765 13 I 3.8634 8.1546 121.3105 64.1773 37.1549 177.8231 14 F 3.8346 8.3030 121.6347 61.9899 39.1528 177.1247 15 H 4.8174 8.5060 116.6931 58.2857 28.1979 177.4333 16 Q 3.9464 8.0271 120.8985 59.3813 29.0448 177.9114 17 Y 3.9489 7.7386 117.1980 60.7524 38.1981 178.1187 18 S 4.1061 8.0450 115.8201 61.1848 62.8128 176.7873 19 V 3.7715 8.0031 122.1495 64.2337 31.1263 178.3126 20 R 4.0587 7.5467 118.2990 57.6776 30.1585 176.7330 21 K 4.6724 6.8296 114.7515 54.9515 37.0094 178.0759 22 G 3.6154 8.5231 108.5665 46.8970 0.0000 173.4801 23 H 4.2400 8.5405 122.4062 55.4807 30.4429 176.4978 24 F 4.4385 7.9815 121.2919 59.0166 37.7757 175.1699 25 D 5.1789 7.5941 118.7588 54.0870 41.6360 174.7041 26 T 5.3220 7.6151 106.0624 60.5310 72.3054 172.8396 27 L 5.0196 8.8420 121.3545 53.7647 44.3648 176.1621 28 S 4.6222 9.2550 115.2720 57.9811 64.2217 175.3891 29 K 4.0584 8.9290 120.5907 59.5901 31.7703 179.6735 30 G 3.7043 8.1279 105.4267 48.0450 0.0000 175.4036 31 E 4.0585 8.3259 121.3595 58.8577 29.3931 179.1216 32 L 3.9075 8.2935 120.7925 58.0388 42.1254 178.8774 33 K 4.0674 8.3707 119.7190 59.7364 32.1595 178.4937 34 Q 4.0399 8.1818 119.7752 59.0093 28.9122 177.9402 35 L 3.5281 7.9374 121.3915 57.9456 41.9870 179.0648 36 L 3.9840 8.1674 119.3140 58.0340 41.3826 179.5356 37 T 4.0370 8.0398 108.5470 64.6585 68.7284 176.1774 38 K 4.1287 8.2319 122.3009 59.4734 32.2617 178.7783 39 E 4.2002 8.5458 117.6198 57.9589 29.5909 177.6374 40 L 4.6848 7.9610 118.3857 54.3077 42.6120 178.1680 41 A 4.0433 7.9298 123.9264 55.8054 18.1807 180.3659 42 N 4.3565 8.1087 114.1505 56.4408 38.5396 177.5597 43 T 3.8509 7.8831 115.8499 66.8426 68.9572 176.0300 44 I 3.8936 8.0817 121.7826 64.3616 36.9397 178.4239 45 K 3.9616 7.8467 119.1638 59.5259 32.1490 178.0199 46 N 4.6705 8.0117 114.2871 53.4422 38.6610 175.1433 47 I 4.0764 7.1008 122.4899 60.7311 37.3174 175.9699 48 K 4.1544 8.5755 124.7031 56.9159 32.9555 176.3808 49 D 4.5893 7.8037 119.2657 52.7802 40.6769 176.6212 50 K 4.0154 8.6132 127.5551 59.2654 31.9370 178.9948 51 A 4.2541 8.2316 121.2544 54.7710 18.1892 179.8323 52 V 3.5415 7.8227 117.1775 65.9511 31.6821 178.2569 53 I 3.7787 7.7275 119.1561 64.5210 37.0401 177.4596 54 D 4.4370 8.6473 119.1485 57.5428 40.7418 177.9159 55 E 3.9175 8.1000 118.6629 59.5422 29.6429 178.6755 56 I 3.6850 7.5550 118.7540 63.7026 37.5507 177.5447 57 F 4.4401 7.9767 116.0665 56.3594 39.3569 175.7126 58 Q 4.1577 7.3907 121.0012 57.6089 29.3153 176.8330 59 G 4.0427 9.0064 112.7493 45.5980 0.0000 174.9304 60 L 4.0812 7.7286 118.6886 56.9813 41.7154 177.4996 61 D 4.8472 8.1272 116.6290 53.7990 40.9993 176.4708 62 A 4.4860 7.9370 123.1189 52.5344 21.0566 177.0941 *67 Q 4.3308 7.7361 112.7920 55.9306 30.4135 174.8170 68 V 4.7079 9.0486 121.0312 61.3571 34.4416 174.8561 69 D 5.4147 9.3066 127.6328 51.7582 42.2999 177.0565 70 F 3.2886 8.8404 119.2138 61.2052 38.9183 176.3201 71 Q 3.8739 8.1196 117.5873 59.4891 28.9489 178.0024 72 E 4.0489 8.7195 119.5528 59.2563 29.3658 179.1109 73 F 4.0945 8.0506 120.8212 61.1469 39.3058 176.9870 74 I 3.2232 7.6562 119.7859 64.6090 36.6155 178.4696 75 S 3.9840 7.5705 115.7533 61.4205 62.5974 176.8511 76 L 3.8097 7.4522 121.2562 57.5903 41.4156 179.2988 77 V 3.2682 7.4140 118.2583 65.8561 31.3966 177.9156 78 A 3.9054 8.0102 120.6394 55.0692 18.1463 179.7814 79 I 3.5921 7.3777 117.9361 64.4804 37.2182 178.5475 80 A 3.9754 7.9277 121.5951 54.9929 18.0537 179.6967 81 L 3.9217 8.2024 118.0065 57.6481 41.6654 179.4345 82 K 3.8721 7.8825 118.8605 59.5520 32.1574 178.4543 83 A 4.0135 7.9660 120.6113 55.2822 18.3398 179.4133 84 A 3.9962 8.4719 119.5854 55.5160 18.2089 179.3861 85 H 4.0721 8.3098 115.8417 59.5238 30.3650 176.3361 86 Y 4.1591 8.1794 121.4088 61.2565 38.6352 177.8306 87 H 4.1512 8.5478 119.0797 59.3215 29.6844 177.1934 88 T 3.8413 7.6683 110.8911 64.4823 68.4211 174.5289 89 H 4.5712 7.3878 116.4992 55.0710 28.9301 175.1350 90 K 3.7300 7.4164 122.1136 56.6645 32.3527 176.5071 91 E 4.1233 8.6248 124.3154 56.7264 29.4612 176.5262 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 0 S 8.32 4.57 0.00 3.99 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 1 T 8.70 3.94 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 2 K 8.74 4.00 0.00 1.82 1.90 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.50 7.81 3 L 7.87 4.02 0.00 1.78 1.68 0.96 1.00 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 4 E 8.34 4.03 0.00 2.29 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 2.36 0.00 5 E 8.72 4.11 0.00 2.02 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 2.31 2.51 0.00 6 H 8.02 4.34 0.00 3.40 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.95 4.09 0.00 1.91 1.77 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.55 4.12 0.00 2.19 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 2.34 2.42 0.00 9 G 8.21 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 0.00 0.00 0.00 10 I 7.99 3.89 2.18 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 1.51 0.90 1.16 0.00 0.00 11 V 8.10 3.68 2.21 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 0.73 0.00 0.00 0.85 0.00 0.00 12 N 8.65 4.41 0.00 2.97 3.03 0.00 0.00 7.26 7.67 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 13 I 8.15 3.86 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.94 1.09 0.00 0.00 14 F 8.30 3.83 0.00 3.07 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 15 H 8.51 4.82 0.00 3.54 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.03 3.95 0.00 2.19 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.13 2.33 0.00 17 Y 7.74 3.95 0.00 2.90 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 18 S 8.04 4.11 0.00 3.92 3.09 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 19 V 8.00 3.77 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 0.81 0.00 0.00 0.90 0.00 0.00 20 R 7.55 4.06 0.00 1.82 1.98 0.00 2.94 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 21 K 6.83 4.67 0.00 1.67 1.65 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.32 1.55 7.81 22 G 8.52 3.62 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 0.00 23 H 8.54 4.24 0.00 3.14 3.12 0.00 5.88 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 7.98 4.44 0.00 2.97 3.08 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 25 D 7.59 5.18 0.00 2.56 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 26 T 7.62 5.32 4.46 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 1.31 0.00 0.00 27 L 8.84 5.02 0.00 1.79 1.63 0.66 1.03 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 28 S 9.26 4.62 0.00 3.93 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 29 K 8.93 4.06 0.00 1.85 2.11 0.00 1.70 0.00 0.00 2.00 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.54 7.81 30 G 8.13 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 0.00 0.00 0.00 31 E 8.33 4.06 0.00 2.23 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 0.00 2.37 2.35 0.00 32 L 8.29 3.91 0.00 1.77 1.88 1.05 0.77 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 33 K 8.37 4.07 0.00 2.06 2.07 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.74 7.81 34 Q 8.18 4.04 0.00 2.27 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 35 L 7.94 3.53 0.00 1.12 1.56 0.34 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.17 3.98 0.00 1.74 1.52 0.56 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.04 4.04 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 1.35 0.00 0.00 38 K 8.23 4.13 0.00 2.06 1.94 0.00 1.81 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.55 7.81 39 E 8.55 4.20 0.00 2.04 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 2.51 2.50 0.00 40 L 7.96 4.68 0.00 1.89 1.65 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.93 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.11 4.36 0.00 2.76 2.88 0.00 0.00 7.08 7.05 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 43 T 7.88 3.85 4.39 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 1.21 0.00 0.00 44 I 8.08 3.89 2.14 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.16 0.98 0.00 0.00 45 K 7.85 3.96 0.00 1.86 2.00 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.63 7.81 46 N 8.01 4.67 0.00 2.78 2.52 0.00 0.00 7.09 7.00 0.00 0.00 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 I 7.10 4.08 2.02 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 1.30 0.66 0.96 0.00 0.00 48 K 8.58 4.15 0.00 1.78 1.87 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.45 7.81 49 D 7.80 4.59 0.00 2.64 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.61 4.02 0.00 1.83 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.51 7.81 51 A 8.23 4.25 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 52 V 7.82 3.54 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 0.99 0.00 0.00 0.87 0.00 0.00 53 I 7.73 3.78 2.07 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 1.62 0.79 1.05 0.00 0.00 54 D 8.65 4.44 0.00 2.77 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 55 E 8.10 3.92 0.00 2.19 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 2.30 2.34 0.00 56 I 7.56 3.68 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 0.24 0.00 0.00 57 F 7.98 4.44 0.00 3.12 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 58 Q 7.39 4.16 0.00 2.32 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 59 G 9.01 4.04 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 0.00 0.00 0.00 60 L 7.73 4.08 0.00 1.91 1.83 0.97 1.01 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 61 D 8.13 4.85 0.00 2.67 2.68 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 0.00 0.00 0.00 62 A 7.94 4.49 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 *67 Q 7.74 4.33 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 68 V 9.05 4.71 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 1.17 0.00 0.00 1.01 0.00 0.00 69 D 9.31 5.41 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 70 F 8.84 3.29 0.00 2.76 2.97 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 71 Q 8.12 3.87 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 72 E 8.72 4.05 0.00 2.22 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 2.32 2.39 0.00 73 F 8.05 4.09 0.00 2.94 2.62 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 74 I 7.66 3.22 1.84 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 0.74 0.48 0.77 0.00 0.00 75 S 7.57 3.98 0.00 3.87 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 76 L 7.45 3.81 0.00 1.46 1.44 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.41 3.27 1.81 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 0.93 0.00 0.00 0.10 0.00 0.00 78 A 8.01 3.91 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 79 I 7.38 3.59 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 0.84 0.00 0.00 80 A 7.93 3.98 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 81 L 8.20 3.92 0.00 1.87 1.70 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.88 3.87 0.00 1.83 1.97 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.49 7.81 83 A 7.97 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 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.47 4.00 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 85 H 8.31 4.07 0.00 3.18 3.57 0.00 5.78 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 86 Y 8.18 4.16 0.00 3.15 3.16 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 0.00 87 H 8.55 4.15 0.00 3.40 3.43 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.67 3.84 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 1.23 0.00 0.00 89 H 7.39 4.57 0.00 3.09 3.19 0.00 5.67 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 90 K 7.42 3.73 0.00 1.62 1.55 0.00 1.77 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.37 7.81 91 E 8.62 4.12 0.00 1.96 1.81 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 2.26 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.