NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.4044 8.5445 116.7719 55.6510 32.0329 177.9409 *10 R 4.1871 7.8919 119.0615 56.3167 26.7137 176.7937 11 L 4.1682 8.4340 124.4431 54.4490 44.2217 176.3185 12 R 4.3847 8.4005 125.7324 54.6840 29.6430 176.9474 13 L 4.0566 8.3673 124.5799 57.5596 42.0547 179.8125 14 R 3.8978 8.1655 117.8780 58.9986 30.1255 177.2244 15 R 4.2909 7.9976 112.5129 58.1875 30.4536 177.4937 16 D 4.6563 8.1953 117.3232 54.9816 41.0310 178.4558 17 F 4.3996 8.5135 122.4603 61.1708 39.3498 176.5231 18 L 3.6600 7.9610 119.4036 58.2449 41.8171 178.8510 19 L 3.9970 7.8555 118.2191 57.8617 41.6059 179.4237 20 I 3.7038 8.1467 120.1357 64.3152 36.8218 178.2393 21 F 3.8925 8.1269 120.6921 61.1609 39.2209 176.9716 22 K 4.1746 8.2231 117.1247 58.4489 32.1455 178.2123 23 E 4.6032 8.2794 116.2797 56.9420 31.1788 176.3722 24 G 3.8026 8.0017 107.5697 44.4823 0.0000 172.1655 25 K 4.3779 7.7794 118.5964 54.5720 35.4806 175.3213 26 S 5.0818 7.9558 113.9918 57.0868 65.5930 172.8298 27 L 5.1962 9.1704 124.2411 53.3517 45.9816 175.3689 28 Q 5.1997 8.5185 117.9709 55.5049 30.4316 173.4311 29 N 5.0296 8.8766 116.5734 51.5087 40.1724 174.5226 30 E 4.0658 8.7354 114.6043 59.1613 29.9532 177.0650 31 Y 4.6162 8.1385 116.6259 58.4618 39.6212 175.2530 32 F 5.5403 7.9997 115.7076 55.7066 43.9302 173.9567 33 V 4.8951 8.9490 121.5945 61.3293 33.9012 174.5746 34 V 4.9209 9.0990 127.5938 61.2011 34.2348 173.9556 35 L 5.4032 9.0499 128.1733 53.2095 44.4291 175.5021 36 F 5.6399 8.4524 116.5382 55.9350 41.7293 173.1226 37 R 5.0891 9.3102 119.8898 54.5393 33.9673 174.2808 38 K 4.2238 8.9273 124.3551 56.8995 32.4035 176.4387 39 N 4.5576 8.9772 120.6873 51.0024 39.0002 174.3168 40 G 3.6799 7.4461 106.5466 46.9447 0.0000 173.8494 *42 D 4.7477 7.8860 113.7477 53.5308 43.6540 176.3338 43 Y 5.0238 7.1376 115.9861 55.7989 41.6742 174.1655 44 S 5.2353 8.9165 116.1685 57.8038 65.1028 173.7865 45 R 4.8532 9.0228 120.2802 54.4322 33.8634 174.1138 46 L 4.8482 8.3767 124.5920 53.1766 44.0780 175.5340 47 G 4.2847 9.2427 112.2230 44.4336 0.0000 171.2659 48 I 4.9494 8.1895 121.2405 59.1433 40.1682 175.1543 49 V 4.0002 8.6944 127.5466 61.2011 33.2092 174.4384 50 V 4.1955 7.9280 128.1601 60.3825 32.9393 175.6865 51 K 4.0974 8.3801 126.8618 56.2366 32.9656 177.7331 52 R 3.9410 8.8437 122.4624 59.6301 29.6862 178.6090 53 K 4.2174 7.9485 115.6642 58.6404 32.7217 178.1534 54 F 4.1546 8.1492 122.1222 60.5553 39.5722 174.8555 55 G 3.9054 7.1642 103.7792 43.8182 0.0000 172.5656 56 K 4.3514 8.0794 119.9987 55.1587 34.6794 177.4722 57 A 4.0132 8.4457 120.6171 56.0044 18.1731 179.8760 58 T 3.7929 7.8324 113.5897 66.8168 68.7197 176.7540 59 R 3.9947 7.9335 120.2734 59.4869 30.2990 178.5741 60 R 3.9918 8.2571 115.9883 59.2841 29.4194 178.5680 61 N 4.3457 8.5707 117.7056 55.6412 38.4912 177.1995 62 K 3.7810 7.9846 121.1842 59.4415 32.2671 178.5770 63 L 3.8401 7.6774 120.2051 58.0753 41.8553 179.0060 64 K 3.9194 8.0150 118.4272 59.3531 31.9489 179.1809 65 R 3.9766 8.3099 119.1944 59.3369 29.9701 178.5677 66 W 4.7729 8.4288 118.6587 60.0251 29.1202 178.6717 67 V 3.6820 8.2791 118.1889 66.1814 30.9121 178.2536 68 R 4.0202 8.4446 118.1048 59.2944 29.8812 178.9324 69 E 4.0560 8.5588 118.3749 59.4746 29.4890 179.4295 70 I 3.7873 8.1636 119.8997 64.3535 37.3742 178.2085 71 F 3.9514 8.4238 121.3805 61.2790 39.0327 177.0062 72 R 4.0313 8.1745 117.0112 59.7699 30.0177 178.5003 73 R 4.1372 8.1091 116.2169 58.2159 30.3279 177.7127 74 N 4.7762 7.5834 114.2876 52.8614 38.8380 176.4516 75 K 3.5806 7.4569 123.5977 59.4738 31.9275 179.0871 76 G 3.7047 7.9957 106.9251 47.4941 0.0000 174.2622 77 V 4.1073 7.4771 117.7437 61.9825 32.6708 176.6200 78 I 3.8599 6.9233 120.4836 60.0607 37.4824 174.2319 79 P 4.4437 0.0000 0.0000 62.8193 31.8420 175.8441 80 K 4.5884 8.6662 119.9196 56.4120 33.9156 176.8085 81 G 3.8689 8.7320 108.8568 46.5171 0.0000 172.5367 82 F 5.3156 8.3083 117.0033 55.3240 43.1187 173.9126 83 D 5.2463 9.2935 123.0336 53.5341 42.5435 175.5130 84 I 5.1489 8.9747 124.4263 59.4506 40.8277 174.5125 85 V 4.8173 9.0966 127.1738 61.1374 34.0112 174.1357 86 V 4.6902 8.7580 128.5605 61.3938 33.6669 174.4301 87 I 5.1573 9.0523 128.1729 57.5973 40.2125 173.2963 88 P 4.7643 0.0000 0.0000 62.9386 32.4289 176.1591 89 R 4.5084 8.4433 120.7952 54.6321 32.5273 177.3684 90 K 3.8650 8.7814 120.5001 59.9688 32.0729 178.5169 91 K 4.2513 8.0008 120.5335 58.8062 32.1213 178.4328 92 L 4.0679 7.9771 120.4125 58.1442 41.9053 178.6270 93 S 3.7735 7.9142 111.9970 61.2721 62.0427 175.5102 94 E 4.0960 8.5764 121.6284 58.9226 29.2175 178.2893 95 E 4.5926 8.0351 115.5316 55.7322 30.2544 177.3801 96 F 4.2585 7.9235 122.1937 61.8055 39.1753 176.9043 97 E 3.7556 8.0716 114.9141 58.0102 29.4095 178.0854 98 R 4.4593 7.7983 116.4724 54.6642 31.1868 175.7020 99 V 4.0317 7.1269 119.8985 61.4659 32.6994 175.8779 100 D 4.4270 7.8475 126.7010 52.8174 43.0519 177.0240 101 F 2.8332 7.8649 122.8489 61.0719 39.0135 177.4131 102 W 4.0909 7.4816 115.4303 59.8128 27.7322 178.3024 103 T 3.9205 7.0052 116.1294 66.2749 67.9527 176.7152 104 V 3.6332 7.4191 120.2097 65.9373 31.5299 177.8778 105 R 3.6209 7.6646 118.7180 59.3372 29.8458 177.8585 106 E 3.9178 8.2311 118.9993 59.4875 29.2064 179.0525 107 K 4.1442 8.3581 118.4966 59.2595 32.0885 179.2755 108 L 3.6449 8.2887 120.7648 58.2034 42.0262 179.0270 109 L 3.9302 8.2612 119.3625 57.7794 41.2638 179.0693 110 N 4.3053 8.1261 116.2804 56.3255 39.1252 176.7307 111 L 4.1432 7.5055 120.2857 57.5551 41.7846 179.1233 112 L 3.8530 7.9551 118.8973 57.7679 41.6734 179.3978 113 K 4.0835 8.0195 115.9501 58.0759 32.0444 177.7589 114 R 4.2651 7.4606 116.7312 55.7722 30.5933 176.7018 115 I 2.8073 6.8502 120.2516 61.1786 37.1814 175.3313 116 E 4.7371 8.2352 123.5987 54.5669 33.5755 175.6864 117 G 3.8505 8.8164 108.9562 45.9405 0.0000 172.6232 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 9 E 8.54 4.40 0.00 2.01 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 2.13 1.88 0.00 *10 R 7.89 4.19 0.00 1.90 1.79 0.00 3.23 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.25 0.00 11 L 8.43 4.17 0.00 1.59 1.60 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.40 4.38 0.00 2.02 1.90 0.00 3.30 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.21 0.00 13 L 8.37 4.06 0.00 1.65 1.64 0.78 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.17 3.90 0.00 1.77 1.99 0.00 3.23 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 15 R 8.00 4.29 0.00 2.24 2.05 0.00 3.19 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 16 D 8.20 4.66 0.00 2.86 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 17 F 8.51 4.40 0.00 2.99 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 18 L 7.96 3.66 0.00 1.72 1.63 0.79 0.62 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 19 L 7.86 4.00 0.00 1.89 1.71 0.93 0.89 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 20 I 8.15 3.70 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 0.98 0.00 0.00 21 F 8.13 3.89 0.00 2.57 2.96 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 0.00 0.00 0.00 22 K 8.22 4.17 0.00 1.86 1.85 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.70 7.81 23 E 8.28 4.60 0.00 1.98 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 2.23 2.38 0.00 24 G 8.00 3.80 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 0.00 0.00 0.00 25 K 7.78 4.38 0.00 0.79 1.35 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.14 7.81 26 S 7.96 5.08 0.00 3.66 3.57 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 0.00 0.00 0.00 0.00 27 L 9.17 5.20 0.00 1.70 1.55 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.52 5.20 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 29 N 8.88 5.03 0.00 2.91 2.98 0.00 0.00 7.05 7.04 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 30 E 8.74 4.07 0.00 1.74 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 1.47 1.47 0.00 31 Y 8.14 4.62 0.00 2.90 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 0.00 0.00 0.00 0.00 32 F 8.00 5.54 0.00 3.00 2.84 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 0.00 0.00 0.00 33 V 8.95 4.90 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 1.09 0.00 0.00 1.01 0.00 0.00 34 V 9.10 4.92 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 1.01 0.00 0.00 0.94 0.00 0.00 35 L 9.05 5.40 0.00 1.75 1.54 1.15 1.02 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 36 F 8.45 5.64 0.00 3.15 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 37 R 9.31 5.09 0.00 1.88 1.81 0.00 3.10 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 38 K 8.93 4.22 0.00 1.61 1.56 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.00 1.47 7.81 39 N 8.98 4.56 0.00 2.74 3.14 0.00 0.00 6.68 6.61 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 40 G 7.45 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.89 4.75 0.00 2.69 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 43 Y 7.14 5.02 0.00 2.99 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 44 S 8.92 5.24 0.00 4.07 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 0.00 45 R 9.02 4.85 0.00 1.95 1.83 0.00 3.20 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.66 0.00 46 L 8.38 4.85 0.00 0.27 0.90 0.56 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 47 G 9.24 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 0.00 0.00 0.00 0.00 48 I 8.19 4.95 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.62 0.87 0.00 0.00 49 V 8.69 4.00 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 0.62 0.00 0.00 0.33 0.00 0.00 50 V 7.93 4.20 1.79 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 0.47 0.00 0.00 0.67 0.00 0.00 51 K 8.38 4.10 0.00 1.90 1.74 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.44 7.81 52 R 8.84 3.94 0.00 1.91 1.95 0.00 3.23 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 53 K 7.95 4.22 0.00 1.95 1.94 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.53 7.81 54 F 8.15 4.15 0.00 3.00 3.10 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 55 G 7.16 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 56 K 8.08 4.35 0.00 1.82 1.78 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.49 7.81 57 A 8.45 4.01 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.83 3.79 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 1.21 0.00 0.00 59 R 7.93 3.99 0.00 1.90 1.97 0.00 3.08 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 60 R 8.26 3.99 0.00 2.02 2.25 0.00 3.12 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.65 0.00 61 N 8.57 4.35 0.00 2.83 2.90 0.00 0.00 6.56 8.20 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 62 K 7.98 3.78 0.00 1.89 2.00 0.00 1.45 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.78 1.07 7.81 63 L 7.68 3.84 0.00 1.14 1.35 0.87 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.01 3.92 0.00 1.96 1.82 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.48 7.81 65 R 8.31 3.98 0.00 1.93 2.17 0.00 3.32 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.79 0.00 66 W 8.43 4.77 0.00 3.79 3.42 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 67 V 8.28 3.68 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 0.98 0.00 0.00 1.05 0.00 0.00 68 R 8.44 4.02 0.00 2.17 2.04 0.00 3.20 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 69 E 8.56 4.06 0.00 2.36 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 2.40 2.71 0.00 70 I 8.16 3.79 2.08 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.34 0.90 0.00 0.00 71 F 8.42 3.95 0.00 3.23 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 72 R 8.17 4.03 0.00 2.02 2.13 0.00 3.34 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 73 R 8.11 4.14 0.00 1.92 1.99 0.00 3.26 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 74 N 7.58 4.78 0.00 2.75 2.71 0.00 0.00 6.49 8.37 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 75 K 7.46 3.58 0.00 1.95 1.68 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.05 7.81 76 G 8.00 3.70 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 0.00 0.00 0.00 77 V 7.48 4.11 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 0.75 0.00 0.00 0.90 0.00 0.00 78 I 6.92 3.86 1.62 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.48 0.87 0.00 0.00 79 P 0.00 4.44 0.00 1.92 2.04 0.00 3.60 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.03 0.00 80 K 8.67 4.59 0.00 1.79 1.78 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.40 7.81 81 G 8.73 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 82 F 8.31 5.32 0.00 3.10 3.04 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 83 D 9.29 5.25 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.97 5.15 1.96 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.02 0.96 0.00 0.00 85 V 9.10 4.82 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 1.09 0.00 0.00 1.10 0.00 0.00 86 V 8.76 4.69 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 0.80 0.00 0.00 0.82 0.00 0.00 87 I 9.05 5.16 2.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.18 0.98 0.00 0.00 88 P 0.00 4.76 0.00 1.92 1.82 0.00 3.91 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.51 0.00 89 R 8.44 4.51 0.00 1.91 1.91 0.00 3.28 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 90 K 8.78 3.87 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.52 7.81 91 K 8.00 4.25 0.00 1.91 1.99 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.53 7.81 92 L 7.98 4.07 0.00 1.90 1.76 0.59 0.17 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 93 S 7.91 3.77 0.00 3.90 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 94 E 8.58 4.10 0.00 2.25 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 2.33 2.56 0.00 95 E 8.04 4.59 0.00 2.16 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 2.52 2.59 0.00 96 F 7.92 4.26 0.00 3.22 2.91 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 97 E 8.07 3.76 0.00 1.87 1.88 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 2.22 2.29 0.00 98 R 7.80 4.46 0.00 1.80 1.92 0.00 3.16 0.00 0.00 3.29 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 99 V 7.13 4.03 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 0.49 0.00 0.00 0.85 0.00 0.00 100 D 7.85 4.43 0.00 1.58 1.54 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 0.00 101 F 7.86 2.83 0.00 1.93 2.63 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 0.00 0.00 0.00 0.00 102 W 7.48 4.09 0.00 3.57 3.49 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 0.00 103 T 7.01 3.92 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 1.31 0.00 0.00 104 V 7.42 3.63 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 1.45 0.00 0.00 1.19 0.00 0.00 105 R 7.66 3.62 0.00 0.97 1.72 0.00 3.09 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 106 E 8.23 3.92 0.00 2.23 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 0.00 2.36 2.40 0.00 107 K 8.36 4.14 0.00 2.21 2.20 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.75 2.03 7.81 108 L 8.29 3.64 0.00 1.36 1.57 0.25 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.26 3.93 0.00 1.72 1.67 0.94 0.40 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 0.00 110 N 8.13 4.31 0.00 2.85 2.88 0.00 0.00 7.28 7.23 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 0.00 111 L 7.51 4.14 0.00 1.79 1.68 1.09 0.59 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 0.00 112 L 7.96 3.85 0.00 1.64 1.66 1.00 0.58 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 0.00 113 K 8.02 4.08 0.00 1.79 1.80 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 114 R 7.46 4.27 0.00 1.83 1.89 0.00 3.15 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 115 I 6.85 2.81 1.29 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.06 -0.70 0.00 0.00 116 E 8.24 4.74 0.00 1.91 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 0.00 2.16 2.43 0.00 117 G 8.82 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 * Residues marked with a * may have inaccurate shift predictions.