NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3227 8.2649 123.5825 50.8459 19.9595 176.4355 2 P 4.3521 0.0000 0.0000 62.9518 31.6411 175.1998 3 Q 4.4829 8.7973 119.9784 56.1238 30.9222 174.9900 4 N 4.7733 7.3852 115.0279 50.9018 41.1270 174.8131 5 I 3.7158 8.1820 119.4312 64.2607 37.9429 177.7296 6 T 3.8212 7.8861 116.3204 66.6172 68.1555 176.2053 7 E 3.9563 8.4737 119.5287 59.3475 29.8079 179.1676 8 L 4.1539 7.8737 119.7131 58.9926 40.5160 178.5109 9 C 4.3374 8.5803 119.9010 59.2332 43.3550 175.4370 10 S 4.0102 7.9170 114.6748 60.5274 62.6753 175.4288 11 E 3.9690 7.8928 120.8960 56.5790 29.6672 175.7675 12 Y 4.8988 6.7663 115.8537 55.8001 40.3554 174.8409 13 H 4.4769 9.0239 122.2920 57.3554 30.6070 175.1673 14 N 4.4372 8.8425 123.4795 54.7132 35.9736 173.6926 15 T 4.9714 7.1737 107.4777 60.5554 71.3820 173.4351 16 Q 4.6044 8.8526 119.1345 55.0848 32.4365 173.2905 17 I 4.7013 8.1346 121.3176 60.6219 38.7401 174.6293 18 Y 4.5749 9.0544 124.6458 56.1320 40.4834 174.2083 19 E 4.4841 8.8270 125.4119 55.4556 30.3805 173.7486 20 L 4.3240 8.8720 125.3150 55.1860 43.4555 177.6938 21 N 4.2323 7.8515 113.6069 54.1058 36.3316 173.8593 22 K 4.7580 7.8054 114.9858 54.5295 36.8123 176.6059 23 E 4.8317 8.6144 118.9677 55.5319 30.8098 176.3809 24 I 3.3882 8.1281 121.4059 61.2750 37.7870 176.0441 25 K 4.3989 8.4153 126.7880 58.5480 33.2539 177.1313 26 T 4.6387 7.6294 115.1030 61.7665 73.0175 172.3617 27 Y 4.9537 8.0481 125.9750 55.9961 41.4844 174.5841 28 T 4.6410 8.3753 123.1700 61.5542 72.4413 172.8204 29 E 5.0785 8.5400 122.6913 54.6673 32.8075 174.4049 30 S 4.8312 8.3712 116.1281 55.9708 65.8275 173.5763 31 L 4.2688 8.2892 119.2199 54.3148 42.6930 177.0096 32 A 4.1573 8.6382 124.2843 51.9513 19.2097 178.3597 33 G 4.1334 8.3901 108.3004 44.0708 0.0000 172.9966 34 Y 4.2096 8.3026 117.4974 59.3732 38.0388 176.8571 35 R 4.1255 7.0233 117.6922 55.5442 30.2971 175.4534 36 E 4.1940 7.6445 120.3961 56.2611 30.0159 176.1228 37 M 4.9343 9.0338 125.4542 53.5606 37.2393 174.2122 38 V 4.7345 7.9058 117.2187 61.1818 34.8791 174.3734 39 I 5.1639 8.7888 128.2891 59.3709 40.9641 174.3850 40 I 5.1337 9.0424 120.1919 59.0660 40.8623 174.5659 41 S 5.2297 8.7176 118.0168 56.8508 66.7196 172.9726 42 F 5.0012 9.1754 119.9880 55.4149 41.6076 176.4902 43 A 3.9849 9.1190 123.0001 55.6775 17.9836 178.4007 44 N 4.6159 8.2358 109.7729 53.1889 37.6697 175.9637 45 G 3.9106 8.4101 108.4950 44.9722 0.0000 173.9933 46 A 3.9948 7.9291 122.4295 52.5773 19.3501 176.6060 47 T 4.9911 7.6851 118.2324 61.8031 72.3452 173.3631 48 F 5.2157 9.7004 123.3515 55.8919 44.0662 173.4402 49 Q 5.1282 9.1354 117.6744 54.5939 31.9979 174.0901 50 V 4.4938 8.2127 120.1659 61.6803 32.8118 176.2075 51 E 3.6948 9.2495 130.7209 59.8082 29.6341 178.7976 *62 K 4.2388 7.4715 121.7031 55.2333 34.3777 180.5881 63 R 4.0423 8.0505 119.6816 61.0525 30.0559 179.0869 64 P 4.4661 0.0000 0.0000 65.4770 31.3082 178.6561 65 L 3.9885 7.7732 117.3509 57.7017 41.6436 178.6576 66 E 3.8978 8.3248 119.4177 59.5097 29.4583 178.8407 67 R 3.8799 8.2479 118.7010 59.7551 30.0601 178.1472 68 M 4.0497 8.1420 117.9051 58.4760 32.1998 178.2161 69 K 4.0263 8.1084 118.7151 59.7412 32.1903 178.9777 70 D 4.3634 8.3030 119.0326 57.6090 40.6228 179.0502 71 T 3.8659 8.1676 116.2825 66.6748 68.4187 176.6682 72 L 4.0755 8.2143 121.0507 57.8457 41.5933 179.6432 73 R 3.3522 8.3371 118.4445 59.2245 29.9982 178.4240 74 A 3.9128 8.2810 120.6219 55.0349 18.3852 179.3823 75 A 3.9696 8.3946 119.6581 55.3899 18.2268 179.1803 76 Y 3.8804 8.1235 117.0744 61.0380 39.0340 177.9696 77 F 3.9011 8.5047 117.6089 60.3968 39.1281 177.1066 78 T 4.3071 8.1162 107.3651 61.3177 69.1276 175.5975 79 G 3.8100 7.7038 109.1720 46.2210 0.0000 173.7504 80 I 3.9516 7.1505 118.9400 60.9064 36.4130 176.2423 81 K 4.4540 8.6420 125.1034 56.2813 33.8597 175.8998 82 V 4.2743 8.8833 125.1251 62.2324 32.6260 176.1156 83 S 4.3707 9.4261 123.9838 60.0136 63.1259 173.6648 84 K 5.0946 7.7833 117.3914 54.6658 36.9670 174.6183 85 L 5.0498 8.7415 122.1804 53.0779 45.2910 174.6412 86 C 5.0949 8.9048 124.0496 55.4506 44.9503 172.7752 87 V 4.9941 8.7268 119.1511 59.1964 35.9608 174.7518 88 W 4.9186 9.2881 124.2677 56.0967 30.1040 176.4602 89 N 5.2188 8.6894 122.9167 52.2180 37.8026 174.7685 90 N 5.0139 8.2233 114.8967 52.9194 38.1689 174.6526 91 K 4.6628 7.7282 115.8686 56.5565 36.3202 175.3613 92 T 4.6097 8.1689 117.4238 61.0522 71.2836 172.4716 93 P 4.4760 0.0000 0.0000 62.0125 32.6036 176.0458 94 N 4.7979 8.5787 118.3419 53.4980 39.8966 173.9700 95 S 5.2617 8.7381 117.8458 57.4311 64.2567 173.0716 96 I 4.2539 8.9013 128.8802 61.4705 36.8508 175.5596 97 A 4.2522 8.9792 129.3419 53.4518 20.0075 176.9033 98 A 4.6458 7.3777 114.3508 50.8052 22.9074 175.1670 99 I 4.9006 8.1857 118.5980 59.1106 41.7522 174.0033 100 E 4.6601 9.3150 129.2621 54.4147 32.0945 174.2324 101 L 5.0799 8.3057 126.8511 53.2294 43.6941 176.6185 102 S 4.1775 8.0694 117.1384 59.0133 62.9030 174.6207 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 1 A 8.26 4.32 1.28 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 0.00 0.00 2 P 0.00 4.35 0.00 2.14 2.09 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 3 Q 8.80 4.48 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 4 N 7.39 4.77 0.00 2.94 2.89 0.00 0.00 5.88 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 5 I 8.18 3.72 1.85 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 1.60 1.54 0.93 0.00 0.00 6 T 7.89 3.82 4.34 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 1.18 0.00 0.00 7 E 8.47 3.96 0.00 2.06 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 2.33 2.44 0.00 8 L 7.87 4.15 0.00 2.02 1.95 0.99 0.77 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 9 C 8.58 4.34 0.00 3.16 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 10 S 7.92 4.01 0.00 4.05 4.08 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 11 E 7.89 3.97 0.00 1.61 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 2.43 2.34 0.00 12 Y 6.77 4.90 0.00 2.95 3.02 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 0.00 0.00 0.00 13 H 9.02 4.48 0.00 3.31 3.37 0.00 6.02 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.84 4.44 0.00 3.09 2.96 0.00 0.00 6.78 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 15 T 7.17 4.97 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 0.73 0.00 0.00 16 Q 8.85 4.60 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.09 0.00 17 I 8.13 4.70 1.80 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 1.30 0.41 0.86 0.00 0.00 18 Y 9.05 4.57 0.00 2.78 2.80 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 19 E 8.83 4.48 0.00 1.95 1.83 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 2.21 2.30 0.00 20 L 8.87 4.32 0.00 1.42 1.21 0.43 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.85 4.23 0.00 2.85 2.83 0.00 0.00 6.70 7.62 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 22 K 7.81 4.76 0.00 1.82 1.83 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.45 7.81 23 E 8.61 4.83 0.00 2.09 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 2.31 2.37 0.00 24 I 8.13 3.39 2.01 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 0.89 0.52 0.95 0.00 0.00 25 K 8.42 4.40 0.00 1.83 1.99 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.46 7.81 26 T 7.63 4.64 4.16 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 1.10 0.00 0.00 27 Y 8.05 4.95 0.00 2.51 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 0.00 0.00 0.00 0.00 28 T 8.38 4.64 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 1.08 0.00 0.00 29 E 8.54 5.08 0.00 1.82 1.60 0.00 0.00 0.00 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 2.31 0.00 30 S 8.37 4.83 0.00 3.79 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 31 L 8.29 4.27 0.00 1.58 1.61 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.64 4.16 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 33 G 8.39 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.30 4.21 0.00 3.09 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 35 R 7.02 4.13 0.00 1.34 1.68 0.00 2.95 0.00 0.00 2.89 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 36 E 7.64 4.19 0.00 2.24 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 2.29 2.23 0.00 37 M 9.03 4.93 0.00 1.88 1.79 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.41 0.00 38 V 7.91 4.73 2.06 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 0.83 0.00 0.00 0.91 0.00 0.00 39 I 8.79 5.16 1.72 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 1.22 0.49 0.91 0.00 0.00 40 I 9.04 5.13 1.76 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.17 0.99 0.00 0.00 41 S 8.72 5.23 0.00 3.86 3.88 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 42 F 9.18 5.00 0.00 3.12 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 43 A 9.12 3.98 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 44 N 8.24 4.62 0.00 2.88 2.98 0.00 0.00 6.26 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 45 G 8.41 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.93 3.99 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 47 T 7.69 4.99 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 1.15 0.00 0.00 48 F 9.70 5.22 0.00 2.95 2.93 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 49 Q 9.14 5.13 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.56 2.34 0.00 50 V 8.21 4.49 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 1.01 0.00 0.00 1.00 0.00 0.00 51 E 9.25 3.69 0.00 1.99 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 2.48 2.33 0.00 *62 K 7.47 4.24 0.00 1.71 1.66 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 63 R 8.05 4.04 0.00 1.81 1.97 0.00 3.22 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 64 P 0.00 4.47 0.00 2.17 2.15 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 65 L 7.77 3.99 0.00 1.95 1.74 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.32 3.90 0.00 2.03 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 0.00 2.32 2.35 0.00 67 R 8.25 3.88 0.00 1.97 2.10 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.14 4.05 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.68 0.00 69 K 8.11 4.03 0.00 2.08 1.94 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.79 7.81 70 D 8.30 4.36 0.00 2.90 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 71 T 8.17 3.87 4.43 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 1.24 0.00 0.00 72 L 8.21 4.08 0.00 2.03 1.92 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.34 3.35 0.00 1.79 1.94 0.00 2.91 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.09 0.00 74 A 8.28 3.91 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 75 A 8.39 3.97 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 76 Y 8.12 3.88 0.00 3.01 3.14 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 0.00 77 F 8.50 3.90 0.00 3.16 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 78 T 8.12 4.31 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 1.29 0.00 0.00 79 G 7.70 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 0.00 0.00 0.00 80 I 7.15 3.95 1.89 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 1.24 0.46 0.94 0.00 0.00 81 K 8.64 4.45 0.00 1.85 1.75 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.40 7.81 82 V 8.88 4.27 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 0.96 0.00 0.00 1.12 0.00 0.00 83 S 9.43 4.37 0.00 3.89 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 84 K 7.78 5.09 0.00 1.65 1.57 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.43 7.81 85 L 8.74 5.05 0.00 1.21 1.22 -0.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.90 5.09 0.00 2.91 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 87 V 8.73 4.99 2.38 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 0.66 0.00 0.00 1.33 0.00 0.00 88 W 9.29 4.92 0.00 3.44 3.25 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 0.00 89 N 8.69 5.22 0.00 2.79 3.10 0.00 0.00 7.00 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 N 8.22 5.01 0.00 2.87 3.00 0.00 0.00 6.00 7.13 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 91 K 7.73 4.66 0.00 1.92 1.77 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.47 7.81 92 T 8.17 4.61 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 1.18 0.00 0.00 93 P 0.00 4.48 0.00 1.90 1.98 0.00 3.68 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 1.97 2.05 0.00 94 N 8.58 4.80 0.00 2.91 3.09 0.00 0.00 7.21 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 95 S 8.74 5.26 0.00 4.01 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 0.00 96 I 8.90 4.25 1.95 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 1.07 0.84 0.94 0.00 0.00 97 A 8.98 4.25 0.05 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 98 A 7.38 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.19 4.90 1.86 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 1.24 1.12 0.92 0.00 0.00 100 E 9.32 4.66 0.00 1.99 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 2.17 2.23 0.00 101 L 8.31 5.08 0.00 1.56 1.58 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.07 4.18 0.00 3.85 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 * Residues marked with a * may have inaccurate shift predictions.