NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 K 4.3175 8.3149 124.0504 55.0633 33.5266 174.8911 *2 I 4.0705 8.1444 124.9784 60.6413 38.9865 174.5521 3 T 5.0743 8.6270 122.0976 62.2419 69.3496 172.9228 4 P 4.8320 0.0000 0.0000 61.3726 33.2933 175.8132 5 R 4.3129 8.3969 119.0240 57.0124 31.0566 175.5397 6 F 5.5006 8.1428 116.0727 56.0314 40.7391 173.2112 7 S 4.8376 9.1782 113.9092 56.8290 66.7961 172.8246 8 I 5.2987 8.2119 120.8945 60.1677 40.8434 174.6294 9 T 5.0232 8.7586 116.3780 60.3270 72.5238 172.2202 10 Q 5.3198 8.5907 117.4763 55.6552 31.2506 174.1779 11 D 5.3742 8.5423 120.7644 52.4135 41.4482 175.8096 12 E 4.1450 8.9403 113.8354 59.1940 30.4820 177.8345 13 E 3.9880 8.2996 119.3470 56.6892 31.5164 175.7561 14 F 5.4324 8.6758 117.3234 55.4915 42.8542 174.6138 15 I 4.5315 8.2863 113.8783 59.3941 40.5412 174.8572 16 F 4.6646 9.3688 123.4807 55.5794 40.7564 172.7880 17 L 4.6962 8.5916 125.6031 54.1351 43.3419 174.8699 18 K 5.0764 9.1686 128.4225 54.7057 34.9296 174.7226 19 I 5.0619 8.7401 127.6350 59.4084 40.9360 174.1661 20 F 4.8731 8.8892 129.7529 57.5383 39.9979 174.7488 21 I 4.2965 7.8083 126.4924 58.9159 40.8499 175.0844 22 S 4.3645 8.4841 123.8090 57.9697 63.8948 174.5154 23 N 4.4952 9.2818 122.6754 56.3665 38.4411 177.4719 24 I 3.8823 7.8586 118.6673 64.2349 37.2656 177.8961 25 R 4.3171 7.6511 116.9812 56.6132 30.6731 177.0615 26 F 3.9650 7.7282 121.3790 58.0580 39.9182 174.3220 27 S 4.0712 7.1648 120.8095 56.2534 64.9109 174.3946 28 A 3.6714 8.2101 130.9473 54.8918 18.6571 178.6683 29 V 3.6549 7.6782 115.0403 65.9761 31.7250 177.5894 30 G 3.5225 7.9703 107.8731 47.7429 0.0000 173.5749 31 L 4.1234 7.1056 122.7557 55.0448 42.5590 176.2039 32 E 4.7625 9.0309 126.7284 54.5573 33.4150 174.0387 33 I 5.1877 8.3739 125.7281 59.7461 41.1510 174.6414 34 I 4.6652 8.7885 126.6666 59.5491 40.9576 174.2569 35 I 4.7236 8.4908 127.1174 59.6530 39.6709 175.7531 36 Q 4.2983 8.4415 125.5977 54.8982 32.3930 176.6212 37 E 4.1663 9.5310 126.6539 56.2776 28.8460 176.3633 38 N 4.9909 8.9430 122.9031 51.9639 37.0421 174.4054 *40 I 4.4031 7.4006 122.7977 62.0683 39.7524 175.1020 41 I 4.7688 8.7560 128.2562 59.4757 39.7048 174.4290 42 F 5.3651 9.1635 128.9996 56.6925 42.3588 173.3672 43 H 5.0644 8.2731 122.1655 54.1869 32.9330 172.8084 44 L 4.6682 8.4362 120.4512 53.6969 44.4106 172.4299 45 S 4.2659 8.4551 116.1040 58.2227 62.7953 172.1046 46 P 4.5875 0.0000 0.0000 63.3573 31.9382 175.4781 47 Y 5.0573 8.2617 119.5147 58.3692 39.5813 173.9223 48 Y 5.4263 8.9819 122.6353 56.6369 42.4791 173.9561 49 L 4.6094 8.6412 125.0672 52.8210 46.4365 175.7819 50 R 4.6845 8.1399 121.2220 54.7783 32.3709 173.8354 51 L 4.5940 8.8401 127.3743 52.8653 43.4929 176.2336 52 R 4.9166 8.4076 123.8665 54.8007 31.9340 175.0284 53 F 4.8729 9.0029 123.5636 55.0271 41.7550 173.8377 54 P 4.2033 0.0000 0.0000 65.2987 31.2866 175.6249 55 H 4.9308 7.0431 112.1384 53.7770 32.2630 172.3166 56 E 4.8054 8.3760 118.8856 56.1161 31.4212 175.5131 57 L 5.2837 8.9299 120.1597 53.1620 46.0154 176.0421 58 I 4.4333 8.3560 120.9401 59.2990 40.5133 174.7851 59 D 4.6729 8.8646 129.5538 53.2021 41.1160 174.2914 60 D 5.0207 8.0721 131.9343 52.4530 40.8506 176.7352 61 E 4.1161 8.8368 114.0816 58.6732 30.3042 178.3114 62 R 4.0653 9.2791 119.8469 58.6265 30.3429 177.1702 63 S 4.4547 7.2962 112.0223 58.3344 64.1312 173.9683 64 T 4.7298 8.4094 117.7369 62.0875 72.6208 173.5875 65 A 4.6368 8.2701 124.8762 51.6383 20.7807 175.5752 66 Q 4.6675 9.1667 120.2103 55.0482 33.7164 174.2500 67 Y 4.8391 8.3930 123.1749 55.9795 40.9994 173.9329 68 D 4.2044 8.3691 128.1705 53.3577 41.4823 177.3579 69 S 3.5212 8.2275 123.2651 61.0128 62.8413 175.5860 70 K 3.9931 7.4367 121.0717 59.1722 32.3294 177.5148 71 D 4.3971 8.9630 120.6253 55.2779 41.4372 176.3582 72 E 3.5951 7.6615 118.3195 57.3601 27.7037 173.4119 73 C 5.3828 7.1940 110.5431 56.6449 34.1231 173.0573 74 I 4.9106 9.0168 121.1011 59.9612 39.4311 174.4290 75 N 5.3046 9.6894 124.6322 51.6333 41.1826 173.6614 76 V 4.8565 9.0687 124.5546 60.9272 34.6595 174.3237 77 K 4.7177 8.4408 126.7569 54.6034 35.4971 175.0327 78 V 4.7435 8.0107 125.1761 61.1218 35.6339 173.6093 79 A 5.0071 8.5473 128.2489 51.0574 20.2631 176.8197 80 K 4.2245 8.8195 122.4818 56.3869 32.3043 176.6844 81 L 4.0667 8.5044 128.3380 58.0667 42.1938 176.9993 82 N 4.7989 7.9684 116.7059 50.8744 39.6725 174.9255 83 K 3.9569 8.3321 124.6318 57.6580 32.9456 177.2965 84 N 4.5137 8.8312 122.3786 53.8573 38.2824 174.4778 85 E 3.8940 8.1180 118.4122 56.4991 29.7073 175.9336 86 Y 4.4567 8.6750 127.7154 57.5744 39.6222 174.4836 87 F 4.5194 8.2862 125.6769 55.8233 40.4192 175.3593 88 E 4.2576 8.5429 125.3781 56.6811 30.5722 175.6272 89 D 4.3584 8.6351 123.5673 54.7721 37.2717 172.6049 90 L 4.7066 7.2693 118.8875 53.0946 44.0559 176.6022 91 D 4.1275 8.3344 120.5778 55.0691 41.0827 175.2489 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 K 8.31 4.32 0.00 1.56 1.68 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.05 7.81 *2 I 8.14 4.07 1.74 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 1.26 0.64 1.09 0.00 0.00 3 T 8.63 5.07 4.38 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 1.37 0.00 0.00 4 P 0.00 4.83 0.00 2.11 1.70 0.00 3.64 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.34 0.00 5 R 8.40 4.31 0.00 1.81 1.87 0.00 3.29 0.00 0.00 3.43 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.45 0.00 6 F 8.14 5.50 0.00 3.09 2.89 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 0.00 0.00 0.00 7 S 9.18 4.84 0.00 3.81 3.89 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 0.00 0.00 0.00 8 I 8.21 5.30 2.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.91 1.13 0.00 0.00 9 T 8.76 5.02 4.28 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 1.24 0.00 0.00 10 Q 8.59 5.32 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 11 D 8.54 5.37 0.00 2.79 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 12 E 8.94 4.15 0.00 2.30 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 2.30 2.22 0.00 13 E 8.30 3.99 0.00 1.72 1.12 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 1.47 1.95 0.00 14 F 8.68 5.43 0.00 2.35 2.20 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 15 I 8.29 4.53 1.70 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.46 0.22 0.00 0.00 16 F 9.37 4.66 0.00 2.90 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 17 L 8.59 4.70 0.00 1.79 1.54 0.82 0.34 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 18 K 9.17 5.08 0.00 1.90 1.68 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.41 7.81 19 I 8.74 5.06 1.65 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.41 0.58 0.00 0.00 20 F 8.89 4.87 0.00 3.06 2.94 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 21 I 7.81 4.30 1.74 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 0.97 0.00 0.00 22 S 8.48 4.36 0.00 4.12 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 23 N 9.28 4.50 0.00 2.76 3.05 0.00 0.00 6.98 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 24 I 7.86 3.88 1.94 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 1.69 0.53 0.96 0.00 0.00 25 R 7.65 4.32 0.00 2.05 2.21 0.00 3.45 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.02 0.00 26 F 7.73 3.97 0.00 2.37 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 27 S 7.16 4.07 0.00 3.63 3.36 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 28 A 8.21 3.67 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 29 V 7.68 3.65 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 0.75 0.00 0.00 0.88 0.00 0.00 30 G 7.97 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.11 4.12 0.00 1.47 1.67 1.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.03 4.76 0.00 1.94 1.61 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 2.17 2.23 0.00 33 I 8.37 5.19 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.98 0.95 0.00 0.00 34 I 8.79 4.67 1.91 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 1.24 0.86 0.94 0.00 0.00 35 I 8.49 4.72 1.86 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 1.30 0.60 0.86 0.00 0.00 36 Q 8.44 4.30 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.25 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 37 E 9.53 4.17 0.00 2.20 1.92 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 2.32 2.25 0.00 38 N 8.94 4.99 0.00 3.15 3.05 0.00 0.00 5.91 7.57 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 *40 I 7.40 4.40 2.06 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.58 0.94 0.00 0.00 41 I 8.76 4.77 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.14 0.97 0.00 0.00 42 F 9.16 5.37 0.00 2.93 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 43 H 8.27 5.06 0.00 2.88 3.01 0.00 5.71 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.44 4.67 0.00 1.35 1.51 0.89 0.66 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 45 S 8.46 4.27 0.00 3.81 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 46 P 0.00 4.59 0.00 1.83 1.94 0.00 3.26 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.68 0.00 47 Y 8.26 5.06 0.00 3.26 3.17 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 48 Y 8.98 5.43 0.00 2.85 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 49 L 8.64 4.61 0.00 1.39 1.11 0.27 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.14 4.68 0.00 1.49 1.72 0.00 3.35 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 51 L 8.84 4.59 0.00 1.57 1.22 0.59 0.31 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 52 R 8.41 4.92 0.00 1.81 1.75 0.00 3.19 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 53 F 9.00 4.87 0.00 3.23 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 54 P 0.00 4.20 0.00 1.44 1.93 0.00 3.96 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 2.14 2.10 0.00 55 H 7.04 4.93 0.00 2.19 3.04 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.38 4.81 0.00 1.96 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 2.39 2.35 0.00 57 L 8.93 5.28 0.00 1.49 1.40 0.38 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.36 4.43 1.87 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 1.12 0.76 0.98 0.00 0.00 59 D 8.86 4.67 0.00 2.64 2.59 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 60 D 8.07 5.02 0.00 2.89 2.66 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 0.00 0.00 0.00 0.00 61 E 8.84 4.12 0.00 2.10 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 0.00 2.28 2.34 0.00 62 R 9.28 4.07 0.00 2.02 2.29 0.00 3.53 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 63 S 7.30 4.45 0.00 4.07 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 64 T 8.41 4.73 4.14 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 0.00 0.00 1.16 0.00 0.00 65 A 8.27 4.64 1.24 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 0.00 0.00 0.00 66 Q 9.17 4.67 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 67 Y 8.39 4.84 0.00 2.48 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 0.00 0.00 0.00 0.00 68 D 8.37 4.20 0.00 2.58 2.27 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 69 S 8.23 3.52 0.00 3.73 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 70 K 7.44 3.99 0.00 1.62 1.75 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.41 7.81 71 D 8.96 4.40 0.00 2.61 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 72 E 7.66 3.60 0.00 2.22 1.78 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 2.26 2.45 0.00 73 C 7.19 5.38 0.00 3.13 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 74 I 9.02 4.91 1.92 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.96 1.10 0.00 0.00 75 N 9.69 5.30 0.00 2.61 2.74 0.00 0.00 6.23 6.73 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 76 V 9.07 4.86 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 0.89 0.00 0.00 0.95 0.00 0.00 77 K 8.44 4.72 0.00 1.61 1.19 0.00 0.87 0.00 0.00 1.24 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.31 7.81 78 V 8.01 4.74 1.87 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 0.86 0.00 0.00 0.81 0.00 0.00 79 A 8.55 5.01 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 80 K 8.82 4.22 0.00 1.74 1.96 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.64 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.17 1.40 7.81 81 L 8.50 4.07 0.00 1.68 1.77 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 82 N 7.97 4.80 0.00 2.92 2.74 0.00 0.00 6.83 7.61 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 83 K 8.33 3.96 0.00 1.73 1.65 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.37 7.81 84 N 8.83 4.51 0.00 2.94 3.03 0.00 0.00 6.87 8.43 0.00 0.00 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 E 8.12 3.89 0.00 1.94 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 0.00 2.18 2.12 0.00 86 Y 8.68 4.46 0.00 2.98 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 87 F 8.29 4.52 0.00 3.02 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 88 E 8.54 4.26 0.00 1.92 1.93 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 2.35 2.56 0.00 89 D 8.64 4.36 0.00 2.84 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 90 L 7.27 4.71 0.00 1.65 1.80 0.98 1.21 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 91 D 8.33 4.13 0.00 2.67 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.