NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3251 8.2649 123.5826 50.8504 19.9640 176.3867 2 P 4.3282 0.0000 0.0000 62.9097 31.6326 175.2770 3 Q 4.4493 8.9851 120.0377 56.3223 30.7147 175.1125 4 N 4.8874 7.4423 115.0247 50.6668 41.4241 174.8160 5 I 3.6999 8.2235 119.4885 64.1824 37.9326 177.8516 6 T 3.8014 7.8531 116.3404 66.7273 68.2435 176.1465 7 E 3.9623 8.5144 119.3469 59.4511 29.7975 179.1070 8 L 4.1404 7.9342 120.1877 58.3227 42.2911 178.1591 9 C 4.2432 8.5844 118.8965 59.8282 43.3224 175.4970 10 S 3.9934 8.0173 115.8238 61.6791 62.4836 176.0035 11 E 4.0323 8.0606 118.8783 56.7972 29.5667 176.1760 12 Y 4.6863 7.1514 116.2305 56.1050 41.1709 175.1569 13 H 4.6838 8.6928 119.4262 56.6719 29.9216 174.6782 14 N 4.4449 9.0069 117.1844 54.9860 35.7068 173.8044 15 T 5.8218 8.2332 105.8793 59.1473 72.2252 172.4618 16 Q 4.6126 8.3067 119.3463 55.0708 32.8956 172.9211 17 I 4.7652 8.1352 120.0385 60.2453 38.8422 174.9408 18 Y 4.4444 9.1558 124.9197 56.5779 40.0236 174.9955 19 T 4.4719 8.5433 121.8750 63.3395 68.7185 174.2819 20 I 3.8788 9.1374 128.1968 62.3300 38.0538 177.3293 21 N 4.1640 7.7703 117.3862 53.2574 36.3340 172.8566 22 D 4.7027 7.9221 115.0212 52.7752 45.0410 174.4211 23 K 4.9234 8.3496 122.1846 55.7008 33.5540 176.8598 24 I 3.4032 8.1830 121.5617 61.4014 37.7108 176.1136 25 L 4.4158 8.4323 128.4737 57.6898 42.7127 177.2342 26 S 4.5896 7.6544 109.6000 56.6542 66.7312 172.1962 27 Y 4.8559 7.7560 123.0947 56.0251 40.9176 174.6212 28 T 4.5934 8.1063 123.0588 61.5639 72.2226 172.8220 29 E 4.9815 8.3447 121.9411 54.8442 33.1906 174.3483 30 S 4.7197 8.8682 115.5176 56.5072 65.8630 174.1021 31 L 4.5634 8.5914 124.8542 55.2175 41.1068 176.3709 32 A 4.0999 7.9005 123.7313 51.5759 18.9112 177.4915 33 G 3.9126 8.6007 109.3134 47.3038 0.0000 173.7435 34 K 3.9392 8.5879 120.9890 57.1153 30.5814 176.0244 35 R 4.6953 8.2897 117.8742 56.0795 31.3211 176.6550 36 E 5.3113 8.4263 117.1913 55.2080 27.3604 175.1977 37 M 5.0827 7.7973 119.6633 53.3550 36.2196 174.8001 38 A 5.1015 8.6589 119.2520 50.1274 22.9999 175.1936 39 I 5.0358 8.5689 120.6726 59.3936 41.0284 174.7578 40 I 5.4880 9.0405 120.0931 58.4639 40.8594 174.4453 41 T 5.1572 7.9911 112.1999 60.1261 72.8550 172.1584 42 F 5.3616 8.9058 119.6075 55.2562 43.0740 176.6154 43 K 4.1492 8.4668 118.0698 59.0793 32.4493 177.5223 44 N 4.5779 8.2274 115.9441 53.1198 37.6998 175.6936 45 G 3.9219 8.4175 107.5809 44.9460 0.0000 173.5497 46 A 4.0306 8.4317 122.7595 51.7899 19.6358 176.9091 47 T 4.8870 7.7802 118.1014 61.6770 71.4545 173.5313 48 F 5.3462 9.3391 124.0011 55.7599 43.8234 173.6592 49 Q 5.2242 9.4037 118.6824 54.5057 32.4165 174.2462 50 V 4.5182 8.5031 120.1949 61.5151 33.2695 175.9785 51 E 3.8530 9.2627 130.8030 59.9997 29.6598 178.8061 *62 K 4.3417 7.6906 121.3738 55.1841 34.5603 180.8826 63 K 4.1024 7.8882 122.8990 59.5846 31.7436 181.2629 64 A 4.3277 7.9754 121.4215 54.9535 18.2827 179.6573 65 I 3.6879 7.7331 117.9305 64.5984 37.2838 178.3127 66 E 3.9737 8.0007 119.0931 59.4018 29.2281 179.2218 67 R 3.8938 8.4571 119.1384 59.6728 29.9989 178.0464 68 M 4.0182 8.2305 117.8434 58.8369 32.1743 178.4430 69 K 4.1202 7.9657 118.1822 59.3653 32.1690 178.9528 70 D 4.3657 8.1819 119.3043 57.9194 40.7420 179.1653 71 T 3.8822 8.1862 116.1935 66.5762 68.3703 176.8409 72 L 4.0356 8.2313 121.1095 57.6189 41.6115 179.3412 73 R 2.8886 7.9742 118.8951 59.3304 29.9339 178.4735 74 I 3.6324 7.8264 118.0675 63.7555 37.9418 177.5985 75 A 3.9615 8.3507 122.2254 55.2276 18.2152 178.8284 76 Y 3.9504 8.3060 118.2892 61.0561 38.7102 178.4339 77 L 3.8329 8.1096 118.9585 57.2559 41.7774 178.6714 78 T 4.2663 7.7464 106.8591 60.5091 69.1935 174.3787 79 E 3.6429 7.8023 119.3264 57.2493 27.4139 174.3495 80 A 4.1186 7.8602 120.7128 51.7750 18.4808 177.8430 81 K 4.3472 8.6960 124.1906 56.4399 33.7097 175.7982 82 V 3.7988 8.7154 128.8240 62.6592 32.1510 175.2250 83 E 4.4635 9.2051 131.5759 56.8494 29.5916 175.6739 84 K 5.1780 8.4677 117.5778 54.4539 37.2094 174.6920 85 L 4.9432 8.7941 122.5540 53.0372 45.2164 174.7158 86 C 4.9509 8.6752 124.1941 55.5792 45.5524 172.6974 87 V 4.8739 8.3956 119.2541 59.0898 35.8302 174.9504 88 W 5.1289 9.1505 124.3320 56.5280 30.0032 176.4792 89 N 5.2446 9.7417 122.0758 51.5968 37.7226 174.9220 90 N 4.9747 8.3419 118.2385 53.3530 37.6893 175.2857 91 K 4.7337 7.8751 118.5187 53.8330 35.8275 178.0673 92 T 4.9254 8.2633 117.3151 60.6999 70.9443 172.5184 93 P 4.4851 0.0000 0.0000 62.2898 31.9427 175.9430 94 N 4.8528 8.7731 118.0521 53.5729 40.0085 173.7223 95 S 5.3376 8.8052 116.4232 56.5701 64.8267 173.1367 96 I 4.0650 8.8862 129.1479 61.5876 36.7478 175.5867 97 A 4.2689 8.8351 129.2197 53.3571 20.1645 176.7285 98 A 4.5975 7.2487 114.3463 50.8360 23.0035 175.1051 99 I 5.1097 8.1354 118.5462 59.2186 41.4704 174.4875 100 S 4.9291 9.0642 122.6067 56.7919 66.2097 172.6855 101 M 5.2893 8.5848 120.0096 53.6095 35.4344 175.3831 102 A 4.1956 8.1057 124.9791 52.4970 19.5699 175.6885 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 4.33 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 4.33 0.00 2.14 2.08 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.34 0.00 3 Q 8.99 4.45 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 4 N 7.44 4.89 0.00 2.92 2.87 0.00 0.00 5.88 7.74 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 5 I 8.22 3.70 1.83 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 1.56 1.42 0.87 0.00 0.00 6 T 7.85 3.80 4.40 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 1.19 0.00 0.00 7 E 8.51 3.96 0.00 2.06 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 2.45 0.00 8 L 7.93 4.14 0.00 1.83 1.79 0.95 0.86 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 9 C 8.58 4.24 0.00 3.16 3.12 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 0.00 0.00 0.00 10 S 8.02 3.99 0.00 4.09 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 11 E 8.06 4.03 0.00 1.85 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 12 Y 7.15 4.69 0.00 2.92 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 13 H 8.69 4.68 0.00 3.30 3.29 0.00 5.82 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 14 N 9.01 4.44 0.00 3.22 3.12 0.00 0.00 6.48 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 8.23 5.82 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 0.81 0.00 0.00 16 Q 8.31 4.61 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 17 I 8.14 4.77 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.82 0.86 0.00 0.00 18 Y 9.16 4.44 0.00 2.77 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.54 4.47 4.21 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 0.00 0.00 1.18 0.00 0.00 20 I 9.14 3.88 1.75 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.34 0.05 0.00 0.00 21 N 7.77 4.16 0.00 2.82 2.80 0.00 0.00 6.45 8.08 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 22 D 7.92 4.70 0.00 2.87 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 4.92 0.00 1.93 1.93 0.00 1.20 0.00 0.00 1.51 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.47 7.81 24 I 8.18 3.40 2.06 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 1.09 0.65 0.91 0.00 0.00 25 L 8.43 4.42 0.00 1.67 1.69 0.97 0.87 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 26 S 7.65 4.59 0.00 3.83 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.76 4.86 0.00 2.49 2.10 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 28 T 8.11 4.59 4.00 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 29 E 8.34 4.98 0.00 1.81 1.59 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 2.18 2.30 0.00 30 S 8.87 4.72 0.00 3.83 3.71 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 31 L 8.59 4.56 0.00 1.75 1.73 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.90 4.10 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 33 G 8.60 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 34 K 8.59 3.94 0.00 1.98 1.93 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.38 7.81 35 R 8.29 4.70 0.00 1.80 1.85 0.00 3.30 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 36 E 8.43 5.31 0.00 1.83 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 2.31 2.23 0.00 37 M 7.80 5.08 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 38 A 8.66 5.10 1.11 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 39 I 8.57 5.04 1.71 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 1.21 0.72 0.83 0.00 0.00 40 I 9.04 5.49 1.68 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 1.05 2.19 1.00 0.00 0.00 41 T 7.99 5.16 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 1.11 0.00 0.00 42 F 8.91 5.36 0.00 3.21 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 43 K 8.47 4.15 0.00 1.98 2.02 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.77 1.45 7.81 44 N 8.23 4.58 0.00 2.90 3.02 0.00 0.00 6.36 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 8.42 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.43 4.03 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.78 4.89 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 1.15 0.00 0.00 48 F 9.34 5.35 0.00 2.94 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 49 Q 9.40 5.22 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.60 2.33 0.00 50 V 8.50 4.52 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 1.02 0.00 0.00 1.00 0.00 0.00 51 E 9.26 3.85 0.00 1.99 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 2.42 2.33 0.00 *62 K 7.69 4.34 0.00 1.71 1.80 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 K 7.89 4.10 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.08 7.81 64 A 7.98 4.33 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 65 I 7.73 3.69 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.33 0.94 0.00 0.00 66 E 8.00 3.97 0.00 2.13 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 2.58 2.48 0.00 67 R 8.46 3.89 0.00 1.84 2.11 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 68 M 8.23 4.02 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 69 K 7.97 4.12 0.00 1.89 1.99 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.69 7.81 70 D 8.18 4.37 0.00 2.92 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 71 T 8.19 3.88 4.42 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 1.22 0.00 0.00 72 L 8.23 4.04 0.00 2.01 1.92 1.04 1.00 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 73 R 7.97 2.89 0.00 1.38 1.84 0.00 3.01 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.06 0.00 74 I 7.83 3.63 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.03 0.97 0.00 0.00 75 A 8.35 3.96 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 8.31 3.95 0.00 3.07 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 77 L 8.11 3.83 0.00 1.58 1.67 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.75 4.27 4.20 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 1.20 0.00 0.00 79 E 7.80 3.64 0.00 2.09 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 2.06 2.10 0.00 80 A 7.86 4.12 1.25 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 0.00 0.00 81 K 8.70 4.35 0.00 1.87 1.73 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.54 7.81 82 V 8.72 3.80 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 0.86 0.00 0.00 1.14 0.00 0.00 83 E 9.21 4.46 0.00 2.10 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 2.28 2.23 0.00 84 K 8.47 5.18 0.00 1.60 1.57 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.34 7.81 85 L 8.79 4.94 0.00 1.14 1.12 0.26 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.68 4.95 0.00 2.86 2.79 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 87 V 8.40 4.87 2.25 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 0.40 0.00 0.00 1.21 0.00 0.00 88 W 9.15 5.13 0.00 3.44 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 9.74 5.24 0.00 2.80 3.17 0.00 0.00 6.86 7.59 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 90 N 8.34 4.97 0.00 2.89 3.01 0.00 0.00 5.77 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 7.88 4.73 0.00 1.63 1.63 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.00 7.81 92 T 8.26 4.93 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 1.20 0.00 0.00 93 P 0.00 4.49 0.00 1.94 2.05 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 94 N 8.77 4.85 0.00 3.03 3.09 0.00 0.00 7.09 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 8.81 5.34 0.00 4.09 4.12 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 0.00 0.00 0.00 96 I 8.89 4.07 1.90 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 0.96 0.75 0.84 0.00 0.00 97 A 8.84 4.27 -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 7.25 4.60 1.07 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 0.00 0.00 0.00 0.00 0.00 99 I 8.14 5.11 1.85 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 1.40 0.97 0.90 0.00 0.00 100 S 9.06 4.93 0.00 3.86 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 0.00 101 M 8.58 5.29 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 102 A 8.11 4.20 1.21 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 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.