NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2328 8.3149 120.1289 55.0145 33.5083 175.0614 4 P 4.3410 0.0000 0.0000 61.8899 31.6269 174.8408 5 I 4.4497 8.4498 118.8096 59.5411 40.9249 173.6631 6 E 5.0802 8.5339 120.3210 54.9271 31.1887 175.6671 7 V 4.8619 8.5659 115.5366 59.9088 35.3499 174.7270 8 T 4.8217 9.1657 112.3677 59.5086 71.9578 174.3689 9 D 4.5514 8.8996 120.4697 56.5197 41.3109 177.5840 10 Q 4.2057 7.7535 116.7881 57.9814 29.0415 176.9392 11 N 5.0145 7.9792 112.9308 52.4402 37.9783 175.8295 12 F 3.9467 8.3649 124.3975 62.2158 39.4974 176.7092 13 D 4.3031 8.2406 117.4274 57.4515 40.5218 178.5706 14 E 3.9665 8.0753 117.4606 59.6539 29.8075 179.1388 15 T 3.9738 8.1507 116.0813 66.6909 68.3143 176.8366 16 L 3.9128 7.3198 119.4947 57.3553 41.6155 179.2274 17 G 3.7592 7.7976 103.6165 46.1975 0.0000 174.7887 18 Q 4.3909 7.7374 118.0318 55.3292 29.5469 175.1449 19 H 4.9249 7.4980 117.4494 52.8246 31.9639 172.7078 20 P 4.4268 0.0000 0.0000 65.2974 32.7253 175.7297 21 L 5.0862 7.7226 119.5300 53.5553 45.4435 175.1002 22 V 4.8614 9.2052 126.8520 60.9852 35.0344 173.7102 23 L 5.0264 9.0235 130.5814 53.6784 43.7777 174.9076 24 V 4.7358 8.9763 127.6694 61.2959 33.8175 173.7393 25 D 5.0683 9.1642 128.9714 52.9869 42.6655 175.1397 26 F 5.0930 9.6819 127.1287 56.4613 40.2358 175.1606 27 W 5.4447 9.1428 120.3341 55.0649 32.5003 173.5621 28 A 4.1212 8.0737 119.7856 49.8829 21.3009 177.4491 29 E 4.1924 8.4434 119.0905 58.6201 29.9871 177.7154 30 W 4.6158 7.4665 115.1328 56.2030 28.5797 175.2163 31 C 4.5948 7.4682 119.9700 57.6046 32.0029 173.9819 32 A 4.0336 8.9090 131.1073 54.9931 18.0973 177.5092 33 P 4.3321 0.0000 0.0000 65.9865 31.8140 177.7615 34 C 4.3500 8.1578 115.9507 62.9393 28.0871 177.2552 35 R 4.2603 7.5464 117.4586 56.0971 28.8799 177.7741 *37 I 4.0388 7.8688 112.4415 60.4473 39.8603 176.9209 38 A 3.7356 7.6489 123.7175 55.1179 18.0823 177.8893 39 P 4.1869 0.0000 0.0000 65.7433 31.3632 178.6847 40 I 3.6533 7.4748 119.3728 64.3313 37.0734 178.1729 41 L 3.8486 8.2925 120.0017 57.5104 41.3088 179.5223 42 E 3.8815 7.8537 118.5151 59.4635 29.3327 179.1972 43 E 3.9853 8.0967 118.5041 59.2648 29.4418 179.5149 44 I 3.7698 7.7388 119.8579 64.1627 36.9408 178.0984 45 A 4.0125 7.8374 120.6390 55.2469 18.5281 179.5700 46 K 3.9936 7.9311 116.6683 59.6607 31.9790 178.8846 47 E 3.7781 7.9362 118.4275 59.0519 29.6312 177.9724 48 Y 4.7655 7.7016 115.1531 56.4861 39.1438 175.2563 49 E 4.2460 7.5312 118.4717 58.0270 29.9444 177.2598 50 G 4.0908 9.1491 110.2074 45.1654 0.0000 173.9898 51 K 4.5608 7.9167 116.2264 56.0165 34.4711 175.9607 52 L 4.9444 7.7392 119.1507 53.1401 45.4348 174.8726 53 L 4.6228 8.7541 127.7528 53.3669 44.4200 174.8575 54 V 4.7015 8.3238 125.9793 61.4056 33.4040 174.1879 55 A 5.2736 9.3081 129.2801 49.9891 22.8838 174.5818 56 K 4.9538 8.8981 119.1294 54.4379 35.6958 175.0469 57 L 4.9393 9.2723 127.6947 53.1019 44.2770 175.2738 58 D 4.0157 8.5487 127.4476 53.2537 40.7383 177.1205 59 V 3.7389 8.0011 121.9472 64.3602 31.8096 177.9853 60 D 4.5360 8.1861 119.5769 56.5753 40.7520 177.1456 61 E 4.3039 8.0982 114.9702 57.0732 31.0825 175.8138 62 N 5.0737 7.8451 116.9278 51.0127 38.9255 173.3485 63 P 4.3048 0.0000 0.0000 65.6327 32.1295 178.9094 64 K 4.1480 7.9421 117.4163 59.3119 32.4643 178.4127 65 T 3.9163 7.9494 115.3340 66.5131 68.6653 176.7631 66 A 4.2822 7.8445 121.7325 52.8710 17.7807 179.0261 *68 R 4.0426 8.0719 120.5465 57.7786 31.4617 175.9260 69 Y 4.2768 7.6327 111.7367 57.0334 38.5414 175.4097 70 R 3.7821 7.7002 117.5297 57.0891 27.5344 176.4400 71 V 3.7343 7.7105 116.6153 61.9324 32.6443 175.1088 *73 S 4.3137 8.3244 119.4453 58.0625 63.9116 173.0792 74 I 4.7186 8.1352 117.2200 57.9675 40.3648 173.2818 75 P 4.8748 0.0000 0.0000 63.3000 33.1540 175.0770 76 T 5.1377 8.6780 117.3081 62.0195 72.9685 172.9095 77 V 5.1136 9.2160 126.3282 61.1934 34.5134 174.1197 78 I 4.9249 9.0147 128.2459 59.4108 40.5046 174.0658 79 L 4.9597 8.7693 129.5018 53.7756 43.9324 174.9559 80 F 5.2424 9.5194 124.9154 55.4702 42.3302 174.1169 81 K 4.8755 9.0953 124.6654 55.0354 34.8358 175.7623 82 D 4.5288 10.1460 128.3166 55.5143 38.9055 175.1429 83 G 3.9774 8.6031 105.8748 45.4356 0.0000 173.7696 84 Q 4.8911 7.8598 121.3450 53.0292 31.2329 172.8825 85 P 4.1850 0.0000 0.0000 62.9758 31.8008 176.3147 86 V 4.4150 8.5188 113.5955 61.1946 34.2461 175.5581 87 E 4.7786 7.7076 118.0500 54.8125 34.1902 174.3566 88 V 4.8786 8.2058 120.9653 61.2347 35.0998 174.4595 89 L 4.6842 9.3142 127.0037 53.0324 44.8636 175.4062 90 V 4.3601 8.6234 124.4927 62.4519 32.7126 176.7668 91 G 4.0393 9.3532 112.5761 45.1632 0.0000 172.7782 92 A 4.2479 8.2151 122.5100 52.1207 18.8275 177.2605 93 Q 4.6539 8.4551 120.6227 53.2028 33.3263 173.1986 94 P 4.4802 0.0000 0.0000 62.3115 32.2198 177.6661 95 K 4.2154 8.9262 122.0244 59.9431 31.9318 179.2629 96 R 4.7060 8.0056 117.1118 58.8264 29.0648 178.5299 97 N 4.2789 8.1738 117.3978 56.2617 38.4385 177.0221 98 Y 4.0707 7.7047 117.6502 61.0925 38.1932 177.9223 99 Q 4.1628 8.4421 118.8400 59.1868 28.3583 179.0854 100 A 4.0123 8.0499 121.4634 55.2809 18.2298 179.8213 101 K 4.0724 7.6326 115.5453 58.9360 32.4071 179.6523 102 I 3.8087 7.8382 120.5856 64.4109 36.6459 178.1472 103 E 4.1076 8.4022 118.9387 58.4329 29.0078 179.0929 104 K 4.0296 7.6084 118.4626 58.5250 32.2725 176.7930 105 H 4.7823 7.7393 113.5854 55.2075 29.5072 173.7472 106 L 4.5232 7.2728 119.6539 52.5012 42.7967 175.0216 107 P 4.4146 0.0000 0.0000 63.1054 31.1936 175.9655 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 3 K 8.31 4.23 0.00 1.73 1.77 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.38 7.81 4 P 0.00 4.34 0.00 1.89 1.91 0.00 3.58 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 5 I 8.45 4.45 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.62 0.93 0.00 0.00 6 E 8.53 5.08 0.00 2.05 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 2.21 2.34 0.00 7 V 8.57 4.86 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 0.65 0.00 0.00 1.05 0.00 0.00 8 T 9.17 4.82 4.51 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 1.28 0.00 0.00 9 D 8.90 4.55 0.00 2.61 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 10 Q 7.75 4.21 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 11 N 7.98 5.01 0.00 2.97 3.03 0.00 0.00 5.86 8.12 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 12 F 8.36 3.95 0.00 3.36 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 13 D 8.24 4.30 0.00 2.78 2.73 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 14 E 8.08 3.97 0.00 2.04 2.00 0.00 0.00 0.00 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 15 T 8.15 3.97 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 1.02 0.00 0.00 16 L 7.32 3.91 0.00 1.49 1.46 -0.18 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.80 3.76 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 0.00 0.00 0.00 18 Q 7.74 4.39 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.52 0.00 0.00 0.00 0.00 0.00 2.29 2.58 0.00 19 H 7.50 4.92 0.00 3.14 3.15 0.00 5.82 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.43 0.00 2.12 2.31 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 21 L 7.72 5.09 0.00 1.79 1.66 0.91 0.65 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 22 V 9.21 4.86 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 0.67 0.00 0.00 0.85 0.00 0.00 23 L 9.02 5.03 0.00 1.77 1.51 0.99 0.51 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 24 V 8.98 4.74 2.40 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 0.70 0.00 0.00 0.86 0.00 0.00 25 D 9.16 5.07 0.00 2.76 2.49 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 0.00 26 F 9.68 5.09 0.00 3.16 3.05 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 27 W 9.14 5.44 0.00 3.39 3.39 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 28 A 8.07 4.12 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.44 4.19 0.00 2.20 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 2.34 2.30 0.00 30 W 7.47 4.62 0.00 3.54 3.24 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 31 C 7.47 4.59 0.00 2.00 2.64 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 32 A 8.91 4.03 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 33 P 0.00 4.33 0.00 2.08 2.18 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 34 C 8.16 4.35 0.00 3.28 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.55 4.26 0.00 1.99 1.95 0.00 3.23 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 *37 I 7.87 4.04 1.80 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 1.46 0.66 1.06 0.00 0.00 38 A 7.65 3.74 1.17 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 0.00 0.00 39 P 0.00 4.19 0.00 2.23 2.27 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 40 I 7.47 3.65 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.42 0.86 0.00 0.00 41 L 8.29 3.85 0.00 1.60 1.54 0.75 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.85 3.88 0.00 2.21 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 2.23 2.43 0.00 43 E 8.10 3.99 0.00 2.14 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 2.29 2.55 0.00 44 I 7.74 3.77 2.02 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.76 1.06 0.00 0.00 45 A 7.84 4.01 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 46 K 7.93 3.99 0.00 1.91 1.82 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.56 7.81 47 E 7.94 3.78 0.00 1.72 1.86 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 1.47 1.78 0.00 48 Y 7.70 4.77 0.00 3.05 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 49 E 7.53 4.25 0.00 2.09 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 2.49 2.27 0.00 50 G 9.15 4.09 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 0.00 0.00 0.00 51 K 7.92 4.56 0.00 1.94 1.88 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.39 7.81 52 L 7.74 4.94 0.00 1.52 1.68 0.96 0.85 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 53 L 8.75 4.62 0.00 1.71 1.37 0.83 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.32 4.70 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 0.83 0.00 0.00 0.91 0.00 0.00 55 A 9.31 5.27 1.10 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 56 K 8.90 4.95 0.00 1.73 1.72 0.00 1.35 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.22 7.81 57 L 9.27 4.94 0.00 1.32 0.98 0.87 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.55 4.02 0.00 2.35 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.00 3.74 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 0.86 0.00 0.00 0.95 0.00 0.00 60 D 8.19 4.54 0.00 2.76 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 61 E 8.10 4.30 0.00 2.04 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 2.28 2.26 0.00 62 N 7.85 5.07 0.00 2.78 2.70 0.00 0.00 6.57 8.11 0.00 0.00 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 P 0.00 4.30 0.00 2.18 2.20 0.00 3.85 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 64 K 7.94 4.15 0.00 1.76 1.90 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.45 7.81 65 T 7.95 3.92 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 0.55 0.00 0.00 66 A 7.84 4.28 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 *68 R 8.07 4.04 0.00 1.88 2.18 0.00 3.16 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.42 0.00 69 Y 7.63 4.28 0.00 2.86 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 R 7.70 3.78 0.00 1.94 1.98 0.00 3.18 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 71 V 7.71 3.73 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 0.59 0.00 0.00 0.14 0.00 0.00 *73 S 8.32 4.31 0.00 4.08 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 74 I 8.14 4.72 1.85 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.60 1.04 0.00 0.00 75 P 0.00 4.87 0.00 2.24 2.28 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 76 T 8.68 5.14 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 1.15 0.00 0.00 77 V 9.22 5.11 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 1.02 0.00 0.00 1.09 0.00 0.00 78 I 9.01 4.92 2.03 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.75 0.21 0.00 0.00 79 L 8.77 4.96 0.00 1.72 1.42 0.90 0.63 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 80 F 9.52 5.24 0.00 2.92 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 81 K 9.10 4.88 0.00 1.68 1.60 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.48 7.81 82 D 10.15 4.53 0.00 2.82 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 83 G 8.60 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 84 Q 7.86 4.89 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 85 P 0.00 4.19 0.00 2.00 1.51 0.00 3.93 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 86 V 8.52 4.41 1.86 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 0.70 0.00 0.00 0.65 0.00 0.00 87 E 7.71 4.78 0.00 1.78 1.74 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 2.26 2.30 0.00 88 V 8.21 4.88 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 0.78 0.00 0.00 0.85 0.00 0.00 89 L 9.31 4.68 0.00 1.64 1.38 0.97 0.21 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 90 V 8.62 4.36 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 0.78 0.00 0.00 0.92 0.00 0.00 91 G 9.35 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 92 A 8.22 4.25 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 93 Q 8.46 4.65 0.00 1.71 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.19 2.50 0.00 94 P 0.00 4.48 0.00 2.18 1.99 0.00 3.58 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 95 K 8.93 4.22 0.00 1.89 1.89 0.00 1.76 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.62 7.81 96 R 8.01 4.71 0.00 2.10 2.21 0.00 3.19 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 97 N 8.17 4.28 0.00 2.55 2.67 0.00 0.00 6.90 7.64 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 98 Y 7.70 4.07 0.00 3.21 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 99 Q 8.44 4.16 0.00 2.37 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.66 2.82 0.00 100 A 8.05 4.01 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 0.00 101 K 7.63 4.07 0.00 1.70 1.89 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 102 I 7.84 3.81 1.65 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.13 0.00 0.00 103 E 8.40 4.11 0.00 2.10 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 2.49 2.52 0.00 104 K 7.61 4.03 0.00 1.98 1.85 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.40 7.81 105 H 7.74 4.78 0.00 3.15 3.26 0.00 5.70 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.27 4.52 0.00 1.66 1.61 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.41 0.00 2.05 2.02 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 * Residues marked with a * may have inaccurate shift predictions.