NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1416 8.3049 120.3139 54.5897 34.0375 175.5083 2 F 4.9203 7.5431 114.4000 55.1757 42.5162 171.2635 3 E 4.4947 9.5135 124.5187 55.5863 31.9178 174.7601 4 Q 4.7034 8.2830 117.8727 54.3534 31.8116 175.3839 5 R 4.5945 8.2625 118.0209 54.7610 31.5364 176.3348 6 V 4.4035 7.8359 114.6579 59.9076 35.6346 173.3813 7 N 4.5111 8.6067 120.9132 53.7371 38.8081 174.7170 8 S 4.6944 8.4957 121.0133 58.3702 63.2536 174.2686 9 D 4.5320 7.8550 120.1732 54.4940 41.1632 176.1409 10 V 4.3092 7.9439 114.2767 60.0149 33.7441 175.5977 11 L 4.8926 8.1695 120.7966 53.3616 44.8397 175.8378 12 T 5.1770 8.4900 112.7720 60.2327 72.5888 172.9657 13 V 4.6219 8.5812 113.9424 59.5968 36.3961 175.2443 14 S 5.0397 8.5002 117.8057 58.0131 63.8327 173.8002 15 T 4.8691 8.9507 117.4223 60.3969 70.9807 173.0805 16 V 5.3615 8.0130 124.1936 58.6764 35.0054 174.9005 *21 Q 3.9946 8.3294 118.8588 55.8842 29.6569 174.4027 22 V 4.7461 8.3296 122.8371 61.4794 32.9552 174.5364 23 T 4.7903 8.6235 116.2993 60.5301 73.0533 172.6697 24 Q 5.1100 8.5345 120.1906 54.8305 31.2230 175.0920 25 K 4.8278 8.7619 119.2695 54.3814 36.7112 173.8919 26 P 4.5845 0.0000 0.0000 62.9966 32.0132 177.1223 27 L 3.9049 9.1395 126.0716 58.3683 41.9121 179.5838 28 R 3.9269 8.0500 115.5372 59.4855 29.0003 178.1914 29 D 4.3585 8.2226 118.5489 57.0258 41.0583 178.4474 30 S 4.0763 8.0320 116.0305 61.4342 62.8485 176.6370 31 V 3.4920 7.6926 120.4751 65.7766 31.2931 177.8000 32 K 3.9019 7.9605 119.2639 59.7112 32.1129 178.8357 33 Q 3.9884 8.4002 118.4170 58.9229 28.6140 178.6422 34 A 4.0020 8.2715 122.0664 55.0657 18.2860 179.7426 35 L 3.6544 7.8949 117.6606 57.3638 41.5681 179.4446 36 K 3.9912 8.0360 119.6655 59.7246 32.2442 178.3959 37 N 4.2993 8.2458 117.1960 56.6485 38.7877 176.1786 38 Y 4.0096 7.9634 121.0713 60.7360 38.8523 178.1017 39 F 4.3929 8.4036 118.9015 60.5640 38.7863 177.3855 40 A 4.0359 8.1562 119.8579 55.2575 18.2002 179.3196 41 Q 4.0575 7.8025 115.1028 58.8862 29.2488 177.8517 42 L 3.8300 7.8227 122.3117 57.1136 42.2522 177.8428 43 N 4.3900 9.2937 114.3659 54.6283 37.6992 174.6013 44 G 3.8713 8.3943 102.3290 45.1686 0.0000 173.8736 45 Q 4.1780 7.2939 119.6308 55.4435 29.6916 175.1540 46 D 4.6748 8.3574 121.7638 53.7482 41.7058 176.4340 47 V 4.6190 8.2144 122.5464 61.4123 34.5783 174.6865 48 N 5.1883 8.7928 120.8834 52.7396 38.6452 174.1726 49 D 4.8694 7.9074 117.7340 52.2325 40.0657 177.2282 50 L 3.8601 8.4109 123.8411 59.3141 42.0127 177.1090 51 Y 3.9019 8.0352 119.0017 60.7063 38.7951 177.4650 52 E 3.9576 8.3683 119.6662 59.1966 29.2997 178.2142 53 L 3.8647 8.0150 120.3012 58.3035 42.1223 179.2725 54 V 3.4163 7.7868 118.2241 65.7146 31.3726 177.6066 55 L 3.7245 7.9650 120.3337 58.1373 41.6340 178.8938 56 A 3.9526 8.1221 122.0826 54.5379 18.0919 179.2029 57 E 3.7717 7.6695 116.3707 58.4382 29.7893 178.3251 58 V 3.9376 7.1952 117.4211 64.8727 32.2804 177.6642 59 E 3.9117 8.6415 118.7881 59.2290 29.2242 179.1696 60 Q 3.6488 7.2206 118.2058 58.4790 28.8314 177.4000 61 P 4.1941 0.0000 0.0000 65.5051 31.2152 178.1990 62 L 3.8657 7.5713 120.3294 58.0073 42.0280 178.7544 63 L 3.9871 8.3146 119.2152 58.0603 41.5144 179.3429 64 D 4.3562 8.1988 118.6357 57.6699 40.6767 178.8734 65 M 4.0892 8.1837 119.4010 58.3291 31.8964 179.2510 66 V 3.6736 8.0006 119.4610 65.0847 31.5887 178.4183 67 M 4.0674 8.3402 119.5714 58.0864 31.9306 178.4360 68 Q 3.9764 8.4207 120.0469 59.3516 28.9948 177.7802 69 Y 4.1391 8.0762 119.9290 60.5944 39.1419 177.1204 70 T 4.2514 8.2645 109.0523 60.6325 68.9236 174.6933 71 L 3.7076 8.6360 119.0157 56.0803 39.7210 175.8207 72 G 3.8524 8.7931 107.4141 45.3827 0.0000 174.5310 73 N 4.3986 8.0397 118.5866 53.7212 39.3432 175.1908 74 Q 4.0928 8.6399 128.5267 58.9823 29.0540 178.6760 75 T 3.8664 7.9504 116.5627 66.8330 68.6051 176.8033 76 R 4.0319 8.2895 119.3875 58.7326 30.0187 179.0687 77 A 4.0032 7.8962 120.4526 55.0971 18.3912 179.4766 78 A 3.9664 8.2704 119.5666 55.1654 18.4284 179.7351 79 L 3.9289 7.8366 117.1860 58.4295 41.5627 179.6838 80 M 4.0935 7.9470 116.9669 58.8116 32.0028 178.5568 81 M 4.2710 8.1198 117.4466 55.9357 32.2501 176.7964 82 G 3.8716 7.9249 106.2230 46.5228 0.0000 173.3283 83 I 4.7020 7.7323 118.4378 58.1388 41.2694 175.9831 84 N 4.6849 8.3921 120.3775 52.5483 39.6516 176.4048 85 R 4.0688 8.6330 120.5321 59.3288 30.0939 179.5990 86 G 3.5900 8.0154 105.1029 48.2434 0.0000 175.8120 87 T 3.9385 7.8373 118.1837 65.8587 68.4860 176.4701 88 L 3.9363 7.9645 122.3492 58.2350 42.2173 178.8066 89 R 3.8770 8.4659 118.9429 59.4878 29.9370 178.2505 90 K 3.9159 8.0907 119.1589 59.5012 32.0668 178.9674 91 K 3.9317 8.2124 118.7595 59.2407 31.8662 179.3731 92 L 4.1068 8.1084 119.3248 57.7884 41.6270 179.3852 93 K 4.4370 8.0040 120.8063 58.8954 31.8511 178.3823 94 K 3.6959 7.6648 118.7896 59.1949 31.9915 177.3182 95 Y 4.8012 7.2679 114.9186 57.0562 37.8916 176.2934 96 G 3.8782 7.8572 107.0201 47.1211 0.0000 174.9298 97 M 4.2262 8.1957 118.4870 55.8881 33.5694 176.2076 98 N 4.4214 7.5437 121.7688 53.2738 38.5248 173.8652 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 M 8.30 4.14 0.00 1.30 1.81 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.92 0.00 2 F 7.54 4.92 0.00 3.15 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 3 E 9.51 4.49 0.00 2.01 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 2.30 2.36 0.00 4 Q 8.28 4.70 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 5 R 8.26 4.59 0.00 1.77 1.84 0.00 3.21 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 6 V 7.84 4.40 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 0.62 0.00 0.00 0.94 0.00 0.00 7 N 8.61 4.51 0.00 2.68 2.73 0.00 0.00 6.96 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.50 4.69 0.00 3.89 3.85 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 9 D 7.85 4.53 0.00 2.65 2.58 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 0.00 0.00 0.00 0.00 10 V 7.94 4.31 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 0.72 0.00 0.00 0.92 0.00 0.00 11 L 8.17 4.89 0.00 1.52 1.50 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.49 5.18 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 1.20 0.00 0.00 13 V 8.58 4.62 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 0.69 0.00 0.00 0.92 0.00 0.00 14 S 8.50 5.04 0.00 3.75 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.95 4.87 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 1.26 0.00 0.00 16 V 8.01 5.36 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 1.21 0.00 0.00 0.93 0.00 0.00 *21 Q 8.33 3.99 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 22 V 8.33 4.75 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 0.86 0.00 0.00 0.93 0.00 0.00 23 T 8.62 4.79 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 1.21 0.00 0.00 24 Q 8.53 5.11 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 25 K 8.76 4.83 0.00 1.76 1.83 0.00 1.44 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.39 7.81 26 P 0.00 4.58 0.00 2.08 2.02 0.00 3.61 0.00 0.00 3.69 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 27 L 9.14 3.90 0.00 1.85 1.65 0.88 0.65 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 28 R 8.05 3.93 0.00 2.06 2.18 0.00 3.02 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 29 D 8.22 4.36 0.00 2.73 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 30 S 8.03 4.08 0.00 4.00 3.86 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 31 V 7.69 3.49 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 0.96 0.00 0.00 0.92 0.00 0.00 32 K 7.96 3.90 0.00 2.05 1.92 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.50 7.81 33 Q 8.40 3.99 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 34 A 8.27 4.00 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.89 3.65 0.00 1.69 1.22 0.86 0.27 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 36 K 8.04 3.99 0.00 1.88 1.98 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.54 7.81 37 N 8.25 4.30 0.00 2.81 2.94 0.00 0.00 6.92 6.93 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 38 Y 7.96 4.01 0.00 3.07 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 39 F 8.40 4.39 0.00 3.27 2.90 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 40 A 8.16 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.80 4.06 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.17 0.00 42 L 7.82 3.83 0.00 1.79 1.72 0.54 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 43 N 9.29 4.39 0.00 2.83 2.80 0.00 0.00 7.48 7.70 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 44 G 8.39 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 0.00 0.00 0.00 45 Q 7.29 4.18 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 46 D 8.36 4.67 0.00 2.71 2.61 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 47 V 8.21 4.62 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 1.09 0.00 0.00 1.15 0.00 0.00 48 N 8.79 5.19 0.00 2.84 2.84 0.00 0.00 5.88 8.06 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 49 D 7.91 4.87 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 50 L 8.41 3.86 0.00 1.86 1.79 0.50 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.04 3.90 0.00 3.14 2.98 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 52 E 8.37 3.96 0.00 2.21 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 2.42 2.48 0.00 53 L 8.01 3.86 0.00 1.89 1.61 0.87 0.52 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 54 V 7.79 3.42 1.82 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 0.76 0.00 0.00 0.74 0.00 0.00 55 L 7.97 3.72 0.00 1.50 1.67 0.72 1.12 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 56 A 8.12 3.95 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.67 3.77 0.00 1.98 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 2.22 2.26 0.00 58 V 7.20 3.94 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 0.92 0.00 0.00 0.85 0.00 0.00 59 E 8.64 3.91 0.00 2.00 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 2.35 2.42 0.00 60 Q 7.22 3.65 0.00 1.85 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 1.68 1.16 0.00 61 P 0.00 4.19 0.00 2.20 2.24 0.00 3.51 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.02 0.00 62 L 7.57 3.87 0.00 1.76 1.89 0.89 0.56 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 63 L 8.31 3.99 0.00 1.81 1.74 1.09 1.13 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 64 D 8.20 4.36 0.00 2.77 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 65 M 8.18 4.09 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.77 0.00 66 V 8.00 3.67 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 0.89 0.00 0.00 0.98 0.00 0.00 67 M 8.34 4.07 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.82 0.00 68 Q 8.42 3.98 0.00 2.19 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 69 Y 8.08 4.14 0.00 3.04 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 70 T 8.26 4.25 4.26 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 1.43 0.00 0.00 71 L 8.64 3.71 0.00 1.80 1.75 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.79 3.85 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 0.00 0.00 0.00 73 N 8.04 4.40 0.00 2.84 2.77 0.00 0.00 7.10 6.32 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 74 Q 8.64 4.09 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 75 T 7.95 3.87 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 1.22 0.00 0.00 76 R 8.29 4.03 0.00 1.92 2.01 0.00 3.12 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 77 A 7.90 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 78 A 8.27 3.97 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.84 3.93 0.00 1.93 1.75 0.93 0.85 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 80 M 7.95 4.09 0.00 1.99 2.35 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.64 0.00 81 M 8.12 4.27 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.55 0.00 82 G 7.92 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 0.00 0.00 0.00 83 I 7.73 4.70 1.89 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 1.37 0.89 0.93 0.00 0.00 84 N 8.39 4.68 0.00 2.95 2.94 0.00 0.00 6.04 7.66 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 85 R 8.63 4.07 0.00 1.88 2.04 0.00 3.14 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 86 G 8.02 3.59 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 0.00 0.00 0.00 87 T 7.84 3.94 4.37 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 1.23 0.00 0.00 88 L 7.96 3.94 0.00 1.79 1.85 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.47 3.88 0.00 1.99 2.07 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 90 K 8.09 3.92 0.00 1.94 1.97 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.45 7.81 91 K 8.21 3.93 0.00 2.05 1.99 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.71 7.81 92 L 8.11 4.11 0.00 1.86 1.75 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.00 4.44 0.00 1.94 1.76 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.44 7.81 94 K 7.66 3.70 0.00 1.63 1.45 0.00 1.59 0.00 0.00 1.14 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.46 1.16 7.81 95 Y 7.27 4.80 0.00 3.02 2.89 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 96 G 7.86 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 0.00 0.00 0.00 97 M 8.20 4.23 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.53 0.00 98 N 7.54 4.42 0.00 2.84 3.07 0.00 0.00 7.20 7.56 0.00 0.00 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.