NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6872 8.3644 120.3211 52.4100 42.0658 175.5038 5 V 4.1236 7.7744 114.3675 62.4781 35.3099 176.3526 6 L 4.1593 9.0363 120.7934 57.5902 42.3598 178.8638 7 K 3.9583 7.9329 117.1410 59.6201 31.9684 179.0800 8 N 4.3825 8.1426 116.0804 56.3790 38.4727 177.3811 9 I 3.7834 7.7616 120.4688 64.2422 37.1448 178.1959 10 A 4.0213 8.6582 121.8613 55.5156 18.1989 179.2934 11 D 4.3492 8.5190 117.6311 58.0386 40.9034 179.4155 12 T 3.9422 8.1476 116.1865 66.4108 68.1926 176.8483 13 L 4.1228 8.0156 120.3152 58.0896 42.1949 179.0888 14 E 4.0334 8.6115 118.5913 59.1504 29.0906 179.1961 15 A 4.0509 8.0458 120.4433 55.0193 18.5474 179.1485 16 R 4.4469 7.5567 111.5279 56.4111 29.9977 177.7658 17 R 3.6007 7.4559 120.6967 59.1676 30.8638 177.2634 18 E 4.6336 7.9327 114.2658 55.3874 30.0935 174.4876 19 A 4.5816 7.4971 121.9182 50.6124 22.1494 176.7605 20 A 4.2314 8.2869 118.4692 51.4839 19.1158 177.3093 21 P 4.2567 0.0000 0.0000 65.4775 31.4864 177.5852 22 Q 4.3212 7.8558 114.3114 56.4237 29.5204 176.5383 23 S 4.2233 7.8646 113.2354 60.8799 62.6388 173.6180 24 S 4.6256 7.4957 111.3093 56.2367 65.6575 173.7115 25 Y 4.1422 8.7809 121.0226 60.9167 38.5831 177.4389 26 V 3.1235 7.9604 118.4499 65.8785 31.4859 177.6899 27 A 4.1878 7.9274 120.2882 55.0808 18.3094 179.5632 28 S 4.1880 7.8696 112.4877 61.4774 62.9463 176.6446 29 L 3.7642 7.5990 122.4543 57.6614 41.1441 179.2357 30 F 4.5592 7.4171 116.2298 61.3480 38.9770 177.1219 31 H 4.4428 8.2247 116.7195 59.1389 29.7380 177.1999 32 K 4.1298 8.0003 119.9196 59.3451 32.2406 175.6855 33 G 3.7609 8.2309 103.6634 43.6815 0.0000 174.0386 34 E 3.1434 8.8683 118.4677 59.2452 29.2969 178.2251 35 D 4.2980 8.0670 117.9494 57.6240 40.8700 178.7086 36 A 3.9543 7.9369 120.3266 55.2593 18.2747 179.6370 37 I 3.7365 7.2956 118.3806 64.4007 37.1383 178.5945 38 L 4.0075 8.1147 120.1348 57.4552 41.3068 179.6467 39 K 3.8959 8.3089 118.9508 59.4134 31.9663 179.1823 40 K 3.8800 7.6030 118.3265 59.4174 32.0818 178.9211 41 V 3.5737 7.8273 118.2947 65.9577 31.4726 177.8597 42 A 3.9679 8.2369 120.7062 55.0124 18.2073 178.9676 43 E 3.8620 8.4978 118.2064 59.8292 29.7375 179.1115 44 E 3.9860 8.5036 118.2496 59.1473 29.3867 179.3762 45 A 4.0047 7.9867 120.9268 55.0529 18.2427 179.5625 46 A 3.9573 7.9247 118.3229 55.2924 18.5439 179.2389 47 E 4.0322 8.1940 116.9174 59.5564 29.9648 178.8641 48 T 4.0636 7.8488 116.1091 66.3417 68.4384 176.7365 49 L 3.9836 7.4963 116.3345 55.6881 41.1096 178.6352 *51 A 4.2978 7.8942 124.3153 52.3543 20.7963 179.8102 52 S 4.0860 8.1679 110.3319 61.2862 62.7293 176.2916 53 K 3.9577 8.1069 120.4764 59.5947 31.9189 177.2078 54 D 4.5214 8.0803 114.8896 54.1187 40.8437 176.2020 55 K 3.8640 7.7436 116.8026 57.3712 30.7182 176.9040 56 D 4.6519 7.5789 119.8471 52.8456 37.7160 176.2368 57 K 3.8213 8.1344 123.2396 59.3488 32.3302 178.3225 58 L 4.0219 7.8108 118.6528 57.8446 41.6586 178.6463 59 H 4.2669 8.3794 117.8254 58.7033 29.7000 176.9641 60 L 3.8465 8.0497 122.5412 58.3216 41.9391 179.2452 61 V 3.5086 7.4239 117.8998 66.0032 31.3955 178.2022 62 R 3.8728 7.7519 117.7944 59.0995 29.8429 178.9530 63 E 3.9027 8.3126 118.6468 59.3526 29.4836 179.3373 64 V 3.6205 8.0892 118.4632 65.8382 31.3956 178.0277 65 A 3.6718 7.7733 120.5213 55.1479 18.2175 179.1198 66 D 4.5129 8.0303 116.6089 57.2676 41.1326 178.2457 67 L 4.0657 8.4299 121.4341 58.0544 42.0236 178.7213 68 W 4.4022 8.5086 118.0198 59.9010 29.1417 177.9546 69 F 4.3850 8.7075 119.6595 61.9572 39.1420 176.8553 70 H 4.1945 8.7383 115.4373 58.4794 28.2768 177.8913 71 T 4.2347 7.9058 116.2923 64.0982 68.0991 176.3079 *73 V 3.8403 7.7564 123.0070 62.8765 33.6505 177.1919 74 L 3.9409 8.1210 121.1489 58.2325 41.8374 178.6923 75 L 4.0652 8.1407 119.0872 58.5149 41.7604 179.8447 76 T 4.0060 8.0089 114.8229 66.8440 68.1905 175.9085 77 Y 4.0242 8.1101 120.6758 60.1011 38.7705 176.5052 78 H 4.8757 7.8640 115.2367 54.7866 29.4350 175.0681 79 G 3.8999 7.6141 106.9788 46.5619 0.0000 173.8479 80 L 4.9193 7.6492 120.8089 53.2461 44.7677 175.6843 81 R 4.5659 9.0002 112.7372 54.4984 32.3845 174.5594 82 P 4.0824 0.0000 0.0000 65.8200 31.2364 178.2021 83 E 3.9264 8.2697 115.5414 59.7415 29.3466 178.8434 84 D 4.4952 8.1949 118.2577 57.4585 41.1484 178.8044 85 V 3.7215 7.5473 118.0811 65.7909 31.4865 178.4303 86 V 3.7778 7.7818 114.3769 63.9560 29.5105 176.8601 *88 E 4.1984 8.1359 120.0838 55.7669 31.0362 177.8656 89 L 4.2103 8.0964 119.0575 57.8725 41.3671 178.8942 90 H 4.2621 8.2723 117.4811 59.3330 29.9323 176.9222 91 R 3.9483 7.2432 118.9115 59.2346 29.9017 177.5895 92 R 4.0889 7.8319 116.3273 57.0133 29.6464 176.7251 93 E 3.9593 8.2635 125.9185 58.6727 30.4407 177.4461 94 G 4.0472 8.7998 112.3379 45.6675 0.0000 172.4543 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 4 D 8.36 4.69 0.00 2.83 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 5 V 7.77 4.12 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 1.05 0.00 0.00 0.97 0.00 0.00 6 L 9.04 4.16 0.00 1.79 1.78 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.93 3.96 0.00 1.93 1.89 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.78 7.81 8 N 8.14 4.38 0.00 2.92 2.90 0.00 0.00 7.11 7.36 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 9 I 7.76 3.78 2.16 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 1.57 1.05 1.18 0.00 0.00 10 A 8.66 4.02 1.42 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 0.00 0.00 11 D 8.52 4.35 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.15 3.94 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 1.29 0.00 0.00 13 L 8.02 4.12 0.00 1.89 1.93 0.84 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.61 4.03 0.00 2.13 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 2.30 2.54 0.00 15 A 8.05 4.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.56 4.45 0.00 2.10 2.09 0.00 3.21 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 17 R 7.46 3.60 0.00 1.62 1.98 0.00 2.21 0.00 0.00 2.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.42 0.00 18 E 7.93 4.63 0.00 1.90 1.84 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 2.12 2.12 0.00 19 A 7.50 4.58 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 20 A 8.29 4.23 1.27 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 0.00 0.00 21 P 0.00 4.26 0.00 1.98 1.99 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.87 0.00 22 Q 7.86 4.32 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 23 S 7.86 4.22 0.00 3.86 4.17 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 24 S 7.50 4.63 0.00 3.90 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 25 Y 8.78 4.14 0.00 3.09 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 26 V 7.96 3.12 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 0.77 0.00 0.00 1.17 0.00 0.00 27 A 7.93 4.19 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.87 4.19 0.00 4.13 4.30 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 29 L 7.60 3.76 0.00 1.35 1.30 0.52 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.42 4.56 0.00 3.26 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 31 H 8.22 4.44 0.00 3.30 3.54 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.00 4.13 0.00 1.91 1.83 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.66 7.81 33 G 8.23 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 34 E 8.87 3.14 0.00 1.86 1.89 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 2.27 2.26 0.00 35 D 8.07 4.30 0.00 2.76 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 36 A 7.94 3.95 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 37 I 7.30 3.74 1.78 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.48 0.80 0.00 0.00 38 L 8.11 4.01 0.00 1.77 1.69 0.90 1.36 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 39 K 8.31 3.90 0.00 1.89 1.85 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.61 7.81 40 K 7.60 3.88 0.00 1.87 1.77 0.00 1.58 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.09 1.22 7.81 41 V 7.83 3.57 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 0.98 0.00 0.00 1.03 0.00 0.00 42 A 8.24 3.97 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.50 3.86 0.00 2.14 2.16 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 2.31 2.36 0.00 44 E 8.50 3.99 0.00 2.06 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 2.60 2.55 0.00 45 A 7.99 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 3.96 1.37 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 0.00 0.00 47 E 8.19 4.03 0.00 2.11 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 2.37 2.39 0.00 48 T 7.85 4.06 4.47 0.00 0.00 0.00 0.00 0.00 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 49 L 7.50 3.98 0.00 1.90 1.68 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 *51 A 7.89 4.30 1.35 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 0.00 0.00 0.00 52 S 8.17 4.09 0.00 3.93 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 53 K 8.11 3.96 0.00 1.94 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 54 D 8.08 4.52 0.00 2.72 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 55 K 7.74 3.86 0.00 1.90 1.87 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.40 7.81 56 D 7.58 4.65 0.00 2.68 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 57 K 8.13 3.82 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.74 7.81 58 L 7.81 4.02 0.00 1.72 1.70 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.38 4.27 0.00 3.43 3.39 0.00 5.62 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 60 L 8.05 3.85 0.00 1.77 1.81 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.42 3.51 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 0.86 0.00 0.00 0.92 0.00 0.00 62 R 7.75 3.87 0.00 1.94 1.91 0.00 3.15 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.89 0.00 63 E 8.31 3.90 0.00 1.98 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 2.20 2.23 0.00 64 V 8.09 3.62 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 0.64 0.00 0.00 0.90 0.00 0.00 65 A 7.77 3.67 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 66 D 8.03 4.51 0.00 3.03 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 67 L 8.43 4.07 0.00 1.94 2.04 1.03 1.15 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 68 W 8.51 4.40 0.00 3.44 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 69 F 8.71 4.39 0.00 3.09 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 70 H 8.74 4.19 0.00 3.36 3.36 0.00 5.87 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 71 T 7.91 4.23 4.59 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 1.15 0.00 0.00 *73 V 7.76 3.84 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 0.43 0.00 0.00 0.19 0.00 0.00 74 L 8.12 3.94 0.00 1.88 1.90 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.14 4.07 0.00 1.73 1.74 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.01 4.01 4.66 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 1.18 0.00 0.00 77 Y 8.11 4.02 0.00 3.29 3.20 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 78 H 7.86 4.88 0.00 3.38 3.29 0.00 5.86 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.61 3.90 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 0.00 0.00 0.00 80 L 7.65 4.92 0.00 1.73 1.74 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 81 R 9.00 4.57 0.00 1.94 1.97 0.00 3.02 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 82 P 0.00 4.08 0.00 2.20 2.13 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 83 E 8.27 3.93 0.00 1.91 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 2.33 2.49 0.00 84 D 8.19 4.50 0.00 2.70 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 3.72 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 0.94 0.00 0.00 0.85 0.00 0.00 86 V 7.78 3.78 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 1.01 0.00 0.00 0.96 0.00 0.00 *88 E 8.14 4.20 0.00 2.16 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 0.00 2.24 2.37 0.00 89 L 8.10 4.21 0.00 1.89 1.68 0.78 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.27 4.26 0.00 3.10 3.30 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.24 3.95 0.00 1.89 2.05 0.00 3.28 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 92 R 7.83 4.09 0.00 2.03 1.74 0.00 3.20 0.00 0.00 3.21 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 93 E 8.26 3.96 0.00 1.95 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 2.33 2.38 0.00 94 G 8.80 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.