NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4864 8.3193 116.7946 58.4328 64.3602 173.5302 1 T 4.1101 8.6523 113.7950 60.4375 70.8595 174.3562 2 K 3.8150 8.6770 120.5923 59.5383 32.3616 180.2601 3 L 4.0015 7.9499 119.8575 58.5145 41.9411 178.8136 4 E 3.9838 8.2528 118.2680 59.3876 29.3411 179.2553 5 E 3.9593 8.4683 118.9306 59.6399 29.5012 179.0877 6 H 4.2831 8.3368 116.2992 58.9961 28.8101 177.8357 7 L 4.1338 8.2878 120.9844 57.6809 41.4011 179.0780 8 E 4.0362 8.5776 119.6400 59.3953 29.5564 179.2513 9 G 3.6874 8.1457 105.5753 47.8857 0.0000 175.7954 10 I 3.9624 8.0111 122.3820 64.1053 37.2003 178.5147 11 V 3.6872 8.4290 119.6132 66.1818 31.2951 177.5754 12 N 4.4047 8.4411 116.5856 56.8204 38.8013 176.9087 13 I 3.8274 7.9789 121.2388 64.2972 37.2078 178.0214 14 F 3.8753 8.6262 121.7525 61.8240 39.2021 177.0409 15 H 4.6788 8.5168 116.6990 58.2347 28.2207 177.7750 16 Q 4.0252 7.9547 119.3754 58.6692 28.6344 177.9362 17 Y 4.0638 7.5625 116.5557 60.4902 38.3314 178.0728 18 S 4.0598 7.7408 114.9846 61.0874 62.8427 176.5330 19 V 3.9546 7.5379 114.7229 63.3260 31.4032 178.0417 20 R 4.0675 7.4767 117.5596 57.8602 30.1900 176.8406 21 K 4.6612 6.9000 114.6135 55.1563 37.0867 178.0937 22 G 3.6462 8.6191 109.1472 46.7169 0.0000 173.4142 23 H 4.3882 8.6315 122.1776 55.8372 30.4415 176.5704 24 F 4.3099 8.7620 121.5628 58.9145 38.0100 175.5533 25 D 4.7472 6.9981 119.1961 52.6184 39.4635 174.9838 26 T 5.2189 7.4745 108.3228 60.4439 72.0848 172.7036 27 L 4.9641 8.6122 121.4392 53.7409 44.4277 176.0212 28 S 4.7157 9.2302 115.2557 58.1600 64.0309 175.4856 29 K 4.0601 8.9820 121.1589 59.4645 31.5587 179.9415 30 G 3.6092 8.2798 106.4651 48.0203 0.0000 175.6552 31 E 4.0002 8.1604 121.2617 58.7730 29.3391 179.1578 32 L 3.8851 8.2676 120.9665 57.8805 42.1205 178.8385 33 K 3.4562 8.0332 119.6184 59.3955 32.0147 178.4567 34 Q 3.8768 7.6645 119.8106 58.9749 28.9862 177.8444 35 L 3.4277 7.7928 121.2231 58.1441 42.0226 179.0268 36 L 4.0410 8.0841 118.9503 58.1093 41.3592 179.4860 37 T 4.0229 7.8460 114.6586 66.4847 68.4742 176.1062 38 K 4.1900 8.0950 121.0411 59.4116 32.3595 178.5516 39 E 4.2732 8.7080 116.7589 57.6074 29.7872 177.3819 40 L 4.7234 7.9246 119.0341 54.1042 42.8063 178.3508 41 A 4.0467 7.8761 123.5425 55.7223 18.1996 180.1855 42 N 4.3363 8.0865 114.1442 56.5111 38.6943 177.5128 43 T 4.1593 7.8165 117.9962 66.2305 68.7266 176.3680 44 I 3.6461 8.2357 121.7675 64.3203 36.8861 178.4960 45 K 4.0140 7.8285 119.2820 59.2896 32.1107 178.0820 46 N 4.7033 7.9729 114.9814 53.6105 38.6188 175.1022 47 I 3.9944 6.9570 122.1054 60.5817 37.3960 176.1149 48 K 3.9603 8.6856 126.0351 59.0190 32.3040 176.9268 49 D 4.5332 7.8200 120.1708 53.2624 40.4346 176.4477 50 K 4.1480 8.4362 126.3508 57.7577 32.2881 178.6775 51 A 4.0544 8.0818 121.3411 54.3535 18.2017 179.8997 52 V 3.4270 7.3766 117.5648 66.3066 31.6068 178.2904 53 I 3.5406 7.6746 121.4510 64.6089 36.9993 178.2373 54 D 4.4917 7.7434 124.1612 59.3996 39.5839 181.7669 55 E 4.1823 8.5165 119.7212 60.9228 29.7658 181.2921 56 I 3.9276 7.5641 121.0710 64.4887 37.2491 178.7036 57 F 4.4690 8.9255 118.8301 60.6480 38.6748 177.7782 58 Q 4.1899 8.7808 118.4649 58.9751 28.2884 179.1775 59 G 3.6378 8.0514 105.6700 47.7422 0.0000 175.4761 60 L 4.1761 8.2008 121.4576 57.7033 41.4235 179.3211 61 D 4.3457 8.4245 117.9979 57.3251 40.8331 178.4950 62 A 4.1926 8.0507 120.2144 54.2113 19.5068 177.3050 63 N 5.0657 8.0776 114.7424 52.2665 39.6747 176.1353 64 Q 4.1529 8.0567 117.6596 58.8832 29.2738 177.8451 65 D 4.6279 7.8718 115.9159 54.3279 41.7899 175.9738 66 E 4.2085 8.0454 122.2414 56.1567 30.7843 175.6530 67 Q 4.9389 8.5890 125.0264 55.4404 30.2878 175.5486 68 V 4.6842 9.0483 115.8275 59.7682 36.3324 175.0025 69 D 5.0749 8.4013 122.9743 51.9069 42.2942 176.5878 70 F 3.0379 8.6275 118.9713 61.3855 39.0390 176.6084 71 Q 3.8876 8.1674 118.4471 59.3083 28.6459 177.8940 72 E 3.9021 8.3960 119.0945 58.9392 29.7327 177.9438 73 F 4.3073 8.0415 120.0706 61.6380 39.6995 176.8050 74 I 2.9983 7.5244 118.0818 63.2352 37.5882 177.5053 75 S 4.0240 7.5709 110.9397 59.6544 62.1037 175.5562 *77 V 3.7575 7.6999 120.8581 62.6558 33.1528 177.3204 78 A 3.9413 7.9154 121.3961 55.0392 18.0968 179.5008 79 I 3.5365 7.6673 118.1020 64.6011 37.2251 178.4913 80 A 3.8956 7.8012 120.8208 55.0283 18.2772 179.3830 81 L 3.7907 8.0950 117.8626 57.8257 41.7273 179.7398 82 K 2.9642 7.8806 119.1508 59.1549 31.8885 178.7377 83 A 3.8782 7.6364 119.6939 54.6479 18.5202 178.5054 84 A 4.2007 7.6957 117.3404 51.7590 18.3766 177.2929 85 H 3.4566 8.2171 113.4823 57.0331 26.9171 174.4875 86 Y 3.5277 7.5955 112.9942 59.3546 35.6283 170.1315 87 H 4.6471 7.8868 118.7809 55.1820 28.2952 175.7404 88 T 4.5773 8.3257 113.3645 60.5074 69.3425 174.0794 89 H 4.9213 7.4384 119.7856 54.1359 30.7897 175.4717 90 K 4.1719 8.6139 121.1863 55.1478 31.4610 177.4010 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 4.49 0.00 3.87 3.87 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 1 T 8.65 4.11 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 1.26 0.00 0.00 2 K 8.68 3.81 0.00 1.92 1.91 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.08 7.81 3 L 7.95 4.00 0.00 1.78 1.69 0.96 0.99 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 4 E 8.25 3.98 0.00 2.23 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 8.47 3.96 0.00 2.04 1.96 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 2.31 2.58 0.00 6 H 8.34 4.28 0.00 3.40 3.37 0.00 5.64 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 8.29 4.13 0.00 1.87 1.78 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.58 4.04 0.00 2.10 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 0.00 2.34 2.35 0.00 9 G 8.15 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 0.00 0.00 0.00 10 I 8.01 3.96 2.26 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.97 1.33 0.00 0.00 11 V 8.43 3.69 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 0.97 0.00 0.00 0.55 0.00 0.00 12 N 8.44 4.40 0.00 2.94 3.03 0.00 0.00 7.28 7.58 0.00 0.00 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 7.98 3.83 2.18 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 1.10 0.00 0.00 14 F 8.63 3.88 0.00 2.86 3.34 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 15 H 8.52 4.68 0.00 3.38 3.43 0.00 5.88 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.95 4.03 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.90 0.00 0.00 0.00 0.00 0.00 2.74 2.57 0.00 17 Y 7.56 4.06 0.00 2.91 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 18 S 7.74 4.06 0.00 4.00 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 19 V 7.54 3.95 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 0.97 0.00 0.00 0.94 0.00 0.00 20 R 7.48 4.07 0.00 1.79 1.95 0.00 2.96 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 21 K 6.90 4.66 0.00 1.67 1.64 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.55 7.81 22 G 8.62 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 4.39 0.00 3.25 3.20 0.00 5.87 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 8.76 4.31 0.00 3.18 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 25 D 7.00 4.75 0.00 2.63 1.79 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 26 T 7.47 5.22 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 1.25 0.00 0.00 27 L 8.61 4.96 0.00 1.76 1.56 0.74 1.03 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 28 S 9.23 4.72 0.00 4.10 4.03 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 29 K 8.98 4.06 0.00 2.04 1.90 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.66 7.81 30 G 8.28 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 31 E 8.16 4.00 0.00 2.20 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 2.30 0.00 32 L 8.27 3.89 0.00 1.75 1.85 1.12 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.03 3.46 0.00 1.53 1.70 0.00 1.00 0.00 0.00 1.28 0.00 0.00 2.70 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.73 0.21 7.81 34 Q 7.66 3.88 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 35 L 7.79 3.43 0.00 1.14 1.54 0.24 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.08 4.04 0.00 1.88 1.88 1.09 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.85 4.02 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 1.28 0.00 0.00 38 K 8.09 4.19 0.00 1.93 1.90 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.54 7.81 39 E 8.71 4.27 0.00 2.02 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 0.00 2.54 2.54 0.00 40 L 7.92 4.72 0.00 1.92 1.63 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.88 4.05 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.09 4.34 0.00 2.77 2.89 0.00 0.00 7.10 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 7.82 4.16 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 1.16 0.00 0.00 44 I 8.24 3.65 2.05 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 1.32 1.21 0.85 0.00 0.00 45 K 7.83 4.01 0.00 2.18 1.97 0.00 1.91 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 1.45 1.35 7.81 46 N 7.97 4.70 0.00 2.92 2.90 0.00 0.00 7.06 6.76 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 47 I 6.96 3.99 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.61 0.93 0.00 0.00 48 K 8.69 3.96 0.00 1.74 1.86 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.44 7.81 49 D 7.82 4.53 0.00 2.67 2.52 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 50 K 8.44 4.15 0.00 1.80 1.77 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.60 1.47 7.81 51 A 8.08 4.05 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 7.38 3.43 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 0.92 0.00 0.00 0.88 0.00 0.00 53 I 7.67 3.54 1.54 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 -0.34 0.00 0.00 54 D 7.74 4.49 0.00 2.65 2.71 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 55 E 8.52 4.18 0.00 1.94 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 2.24 2.23 0.00 56 I 7.56 3.93 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.60 1.05 0.00 0.00 57 F 8.93 4.47 0.00 3.05 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 58 Q 8.78 4.19 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 59 G 8.05 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 0.00 0.00 0.00 60 L 8.20 4.18 0.00 1.84 1.83 0.96 0.96 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 61 D 8.42 4.35 0.00 2.86 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 62 A 8.05 4.19 1.39 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 0.00 0.00 0.00 63 N 8.08 5.07 0.00 2.67 2.72 0.00 0.00 6.60 9.09 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 64 Q 8.06 4.15 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.73 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 65 D 7.87 4.63 0.00 2.68 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 66 E 8.05 4.21 0.00 2.07 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 2.31 2.30 0.00 67 Q 8.59 4.94 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.52 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 68 V 9.05 4.68 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 0.85 0.00 0.00 1.11 0.00 0.00 69 D 8.40 5.07 0.00 2.77 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 70 F 8.63 3.04 0.00 2.41 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 71 Q 8.17 3.89 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 72 E 8.40 3.90 0.00 2.01 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 2.35 2.31 0.00 73 F 8.04 4.31 0.00 3.05 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 74 I 7.52 3.00 0.92 0.00 0.00 0.50 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 0.80 0.69 0.00 0.00 75 S 7.57 4.02 0.00 3.86 3.93 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 *77 V 7.70 3.76 1.71 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 0.82 0.00 0.00 0.23 0.00 0.00 78 A 7.92 3.94 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 79 I 7.67 3.54 1.80 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 1.40 0.86 0.84 0.00 0.00 80 A 7.80 3.90 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 81 L 8.09 3.79 0.00 1.83 1.72 0.94 0.76 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 82 K 7.88 2.96 0.00 1.65 1.78 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.24 1.27 7.81 83 A 7.64 3.88 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 84 A 7.70 4.20 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 85 H 8.22 3.46 0.00 3.10 3.23 0.00 6.00 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.60 3.53 0.00 3.05 2.99 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 0.00 0.00 0.00 87 H 7.89 4.65 0.00 3.34 3.26 0.00 5.61 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 88 T 8.33 4.58 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 89 H 7.44 4.92 0.00 3.26 3.35 0.00 5.54 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.61 4.17 0.00 1.80 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.01 7.81 * Residues marked with a * may have inaccurate shift predictions.