NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0619 8.0393 120.3090 61.5522 33.0463 175.1037 2 T 4.1830 7.7129 109.8335 61.0053 70.3151 173.0941 3 L 4.2267 8.9760 123.6191 56.9765 43.8373 178.0324 4 L 5.2290 7.7004 116.4809 52.7857 45.9721 175.6196 5 E 4.7298 9.0851 122.6946 54.4689 32.8262 174.3128 6 Q 5.3094 8.6132 125.3254 54.1033 31.6406 174.7380 7 N 5.1369 9.2298 120.8525 50.6154 41.1808 172.7301 8 P 4.7111 0.0000 0.0000 61.9355 33.1141 175.7474 9 R 4.2608 7.8971 118.2638 58.4448 31.1138 175.3816 10 W 5.7878 7.0994 113.3040 55.9457 31.6512 174.2290 11 R 4.8895 9.5463 118.3390 55.0038 34.4598 174.2603 12 L 5.1903 8.5974 123.0758 53.1676 43.7439 176.1712 13 V 4.5642 8.7093 123.0258 60.8594 35.6766 171.5776 14 P 4.8509 0.0000 0.0000 62.2026 32.8008 175.4303 15 R 3.9984 8.4758 120.2207 58.4043 30.1921 176.4984 16 G 3.9561 9.1829 114.3008 45.1619 0.0000 173.2688 17 Q 4.1936 7.5184 120.9535 55.4982 29.3727 175.9299 18 A 4.5135 8.6759 128.5841 52.2701 19.4514 176.8210 19 V 4.4837 8.6905 119.2278 60.0525 35.0814 174.0882 20 N 5.4179 8.7517 120.0635 51.8556 40.6913 174.1458 21 L 4.9809 8.7050 121.4380 53.2174 46.4188 175.4707 22 R 5.2716 9.2562 120.6347 55.3058 34.1798 172.8970 23 C 5.4416 9.7708 125.0603 54.8679 48.5404 172.3799 24 I 5.0019 8.8267 126.3619 59.3215 39.5551 174.4073 25 L 4.4866 9.1488 130.9290 54.9042 41.8936 176.5703 26 K 4.3518 9.2358 126.1047 56.9675 33.5899 176.3518 27 N 4.9046 8.0679 118.7378 51.7494 40.6098 174.0816 28 S 4.6150 8.7255 119.4610 58.8898 63.4076 174.4743 29 Q 4.2014 8.3361 118.9879 56.9101 28.9105 175.8597 30 Y 5.0234 7.4569 114.8530 56.1763 38.1735 173.9193 30A P 4.3122 0.0000 0.0000 64.2280 32.7226 177.1933 31 W 4.2224 8.2078 120.6890 56.9776 29.8215 175.0070 32 M 5.2398 8.3768 123.7850 53.5606 34.5751 175.5006 33 S 5.3129 9.0491 118.6056 56.5658 67.6927 172.7395 34 W 5.5201 8.6724 121.5597 55.4812 31.2601 174.8771 35 Y 5.1379 9.9445 122.4779 56.0970 41.1042 174.5055 36 Q 5.2457 9.1984 121.0820 54.5354 31.8540 173.9879 37 Q 5.2316 9.2511 124.1968 54.5689 31.5341 175.3179 38 D 5.0428 8.7640 126.8795 52.0151 41.3023 177.0857 39 L 4.3394 8.4500 118.3061 57.3986 41.5889 177.9487 40 Q 4.4209 8.1457 115.3320 55.9691 28.7213 176.6124 41 K 4.1105 8.5712 116.3188 57.0361 30.6730 175.9417 42 Q 4.1629 8.1119 122.0373 56.0647 29.7188 175.1932 43 L 5.0576 8.5803 127.1155 54.7901 42.9553 176.3441 44 Q 4.7563 9.2967 123.4344 54.2319 32.8622 173.6764 45 W 3.2207 9.0632 135.0000 57.6834 31.1219 174.2586 46 L 3.5836 7.1987 124.1051 55.3660 43.0607 176.7122 47 F 4.5864 6.4589 115.1734 56.1356 43.8709 173.2452 48 T 5.2661 8.9449 117.1390 62.0536 70.4602 173.3598 49 L 4.6340 9.2526 126.4234 53.3319 44.4264 177.3074 50 R 3.7220 8.8670 124.5654 57.4768 30.8182 176.5127 51 S 4.6885 7.9698 113.4203 55.4522 64.9922 171.8715 52 P 4.4720 0.0000 0.0000 64.5583 31.3782 176.7447 53 G 3.9551 9.1120 112.4011 44.9745 0.0000 173.3090 54 D 4.4615 8.3511 121.2459 54.5077 41.5018 175.4852 55 K 5.0274 8.2236 124.3877 54.8476 35.4251 174.3824 56 E 4.8344 8.4814 123.8902 55.7345 33.6567 174.4874 57 V 5.5177 8.2035 116.1550 59.0085 35.5345 175.4814 58 K 4.2614 8.4832 120.9090 56.0520 35.2848 174.0145 59 S 4.8076 8.8821 124.7643 57.5205 63.8404 173.6392 60 L 4.6904 8.3524 126.1460 51.9423 44.5138 173.5333 61 P 4.2605 0.0000 0.0000 65.2139 31.3419 176.8895 62 G 4.1407 10.2326 112.1738 44.3776 0.0000 172.0168 63 A 4.6854 7.6932 119.3126 50.9479 23.3610 174.8789 64 D 4.9831 8.4837 120.1169 52.6143 44.0169 174.9074 65 Y 5.3613 8.6084 120.9204 56.2406 41.4738 174.6767 66 L 5.2032 8.8996 123.5469 53.4792 45.8463 174.7665 67 A 5.0357 8.8135 127.7117 50.3232 22.4768 174.7982 68 T 4.9133 8.3690 117.0744 61.6810 73.0152 173.3259 69 R 4.3644 8.9939 127.6545 55.9117 30.3062 177.1452 70 V 3.6012 8.8854 127.9233 65.1199 31.6924 175.5209 71 T 4.7319 7.2744 107.1102 59.5313 71.7599 173.7121 72 D 4.4214 8.7140 120.2946 56.7064 40.8489 177.1947 73 T 4.5441 7.8770 107.2241 60.8064 71.2573 173.0040 74 E 5.0104 7.9606 124.3985 54.3543 31.9178 174.1432 75 L 5.2092 9.0775 129.0736 53.3594 45.2180 175.2856 76 R 5.4187 9.4263 123.9015 54.6643 34.6186 174.5255 77 L 4.5518 8.5234 121.7653 54.1499 45.7900 174.1221 78 Q 4.9216 9.4769 126.5819 54.3171 30.9773 174.8616 79 V 4.6663 8.8214 124.4696 60.0304 33.4938 174.9269 80 A 4.7710 8.9144 127.6077 49.9354 22.2438 175.6204 81 N 4.2331 8.6568 113.0455 54.2027 36.5040 174.5615 82 M 4.2358 7.9392 118.2066 55.7159 32.7751 176.4470 83 S 4.6427 8.9300 120.8120 58.9137 64.6536 174.0470 84 Q 4.6644 7.6473 117.3704 53.2659 32.3007 174.7273 85 G 4.0228 8.5871 107.4625 46.6402 0.0000 172.3492 86 R 4.7813 7.8625 115.3022 55.9315 33.1766 173.2798 87 T 5.1447 8.1263 109.5704 58.9292 72.1901 173.0213 *90 L 4.6848 8.2846 122.3395 55.1894 43.5834 174.9921 91 Y 5.2909 9.6045 122.1771 56.5462 40.5086 174.2770 92 C 4.8319 9.2645 124.2710 56.1078 45.5249 172.1582 93 T 5.1517 8.9325 115.1255 59.9403 72.2868 172.2555 94 C 5.9536 8.6238 115.9497 55.9693 33.4365 172.7142 95 S 5.2224 8.6256 113.0284 57.3625 65.3433 174.5397 96 A 4.3693 9.0650 125.8571 54.4457 18.6512 176.6740 97 D 4.2811 7.4565 113.7746 53.7195 45.2094 175.3968 98 R 3.4948 7.3678 115.3170 56.8579 29.9679 176.5036 99 V 4.0181 7.3119 118.5206 61.8891 33.0114 176.4859 100 G 3.8537 8.4518 112.7500 47.0509 0.0000 172.8562 *103 N 4.8807 7.5191 115.0047 53.4919 39.7530 173.4221 *105 T 4.0645 7.9793 115.2444 63.4889 69.6760 173.5300 106 L 4.5172 8.0522 124.7528 54.1203 43.0987 175.5492 107 Y 4.8531 8.8302 121.2913 56.2737 40.7564 174.7089 108 F 4.8939 9.1009 122.3381 56.2353 40.6372 177.1130 109 G 4.0382 8.9573 110.9713 46.4681 0.0000 172.7302 110 E 4.5443 9.1781 117.9566 56.1274 30.2352 176.4227 111 G 3.5512 9.0962 108.4871 45.6665 0.0000 173.4343 112 S 4.8408 8.6803 119.2392 56.6055 64.6569 173.3914 113 R 4.1352 9.0394 127.7437 55.7339 31.0084 174.9308 114 L 5.1737 8.8213 127.1326 53.2307 44.1979 175.6861 115 I 4.6843 8.6135 123.9124 59.4117 40.6497 174.6811 116 V 5.0633 8.7806 127.8684 61.7129 32.3183 176.0921 116A V 4.1263 8.1105 126.5053 61.8834 31.1380 175.4085 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 V 8.04 4.06 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 0.92 0.00 0.00 0.91 0.00 0.00 2 T 7.71 4.18 4.22 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 1.21 0.00 0.00 3 L 8.98 4.23 0.00 1.49 1.58 0.66 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.70 5.23 0.00 1.45 1.47 0.95 0.72 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 5 E 9.09 4.73 0.00 2.05 1.73 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 2.18 2.29 0.00 6 Q 8.61 5.31 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.40 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 7 N 9.23 5.14 0.00 2.64 2.80 0.00 0.00 6.34 7.93 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 8 P 0.00 4.71 0.00 2.16 1.98 0.00 3.74 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 1.91 1.89 0.00 9 R 7.90 4.26 0.00 1.62 1.30 0.00 3.34 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.65 0.00 10 W 7.10 5.79 0.00 3.34 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 11 R 9.55 4.89 0.00 1.72 1.85 0.00 3.29 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 12 L 8.60 5.19 0.00 1.56 1.61 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.71 4.56 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 0.97 0.00 0.00 0.94 0.00 0.00 14 P 0.00 4.85 0.00 2.15 2.16 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 15 R 8.48 4.00 0.00 1.77 1.92 0.00 3.23 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 16 G 9.18 3.96 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 0.00 0.00 0.00 17 Q 7.52 4.19 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 18 A 8.68 4.51 1.20 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 0.00 0.00 19 V 8.69 4.48 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 0.89 0.00 0.00 0.90 0.00 0.00 20 N 8.75 5.42 0.00 2.59 2.74 0.00 0.00 6.77 7.85 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 21 L 8.71 4.98 0.00 1.26 1.50 0.68 0.71 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 22 R 9.26 5.27 0.00 1.87 1.75 0.00 3.16 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 23 C 9.77 5.44 0.00 2.86 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 24 I 8.83 5.00 1.86 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 1.11 1.07 0.90 0.00 0.00 25 L 9.15 4.49 0.00 1.56 1.56 1.06 0.29 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 26 K 9.24 4.35 0.00 1.68 1.84 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.36 7.81 27 N 8.07 4.90 0.00 2.74 2.83 0.00 0.00 6.98 8.17 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 28 S 8.73 4.62 0.00 4.00 3.94 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 29 Q 8.34 4.20 0.00 2.01 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 7.33 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 30 Y 7.46 5.02 0.00 2.92 2.95 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 0.00 0.00 0.00 30A P 0.00 4.31 0.00 1.95 2.10 0.00 3.92 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 31 W 8.21 4.22 0.00 3.57 3.36 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 0.00 0.00 0.00 0.00 32 M 8.38 5.24 0.00 1.72 1.81 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.41 0.00 33 S 9.05 5.31 0.00 3.99 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 34 W 8.67 5.52 0.00 3.30 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 35 Y 9.94 5.14 0.00 3.17 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 36 Q 9.20 5.25 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 37 Q 9.25 5.23 0.00 2.48 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 38 D 8.76 5.04 0.00 2.96 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 39 L 8.45 4.34 0.00 1.68 1.80 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.15 4.42 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 5.92 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 41 K 8.57 4.11 0.00 1.92 2.19 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.52 7.81 42 Q 8.11 4.16 0.00 2.26 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 43 L 8.58 5.06 0.00 1.65 1.76 1.10 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 9.30 4.76 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 45 W 9.06 3.22 0.00 3.01 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 46 L 7.20 3.58 0.00 0.95 0.30 -0.05 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 47 F 6.46 4.59 0.00 2.98 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 48 T 8.94 5.27 4.71 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 1.66 0.00 0.00 49 L 9.25 4.63 0.00 1.50 1.52 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.87 3.72 0.00 0.67 1.49 0.00 2.37 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 51 S 7.97 4.69 0.00 3.94 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 52 P 0.00 4.47 0.00 2.00 2.11 0.00 3.57 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 53 G 9.11 3.96 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 0.00 0.00 0.00 54 D 8.35 4.46 0.00 2.71 2.62 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 0.00 0.00 0.00 0.00 55 K 8.22 5.03 0.00 1.70 1.61 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.36 7.81 56 E 8.48 4.83 0.00 2.09 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.45 0.00 57 V 8.20 5.52 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 1.00 0.00 0.00 1.00 0.00 0.00 58 K 8.48 4.26 0.00 1.63 1.35 0.00 1.49 0.00 0.00 1.39 0.00 0.00 2.90 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.97 1.38 7.81 59 S 8.88 4.81 0.00 3.80 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 60 L 8.35 4.69 0.00 1.89 1.57 0.96 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 61 P 0.00 4.26 0.00 2.09 2.02 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 62 G 10.23 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 0.00 0.00 0.00 63 A 7.69 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.48 4.98 0.00 2.44 2.47 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 0.00 65 Y 8.61 5.36 0.00 3.32 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 66 L 8.90 5.20 0.00 1.72 1.43 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.81 5.04 0.32 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 68 T 8.37 4.91 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 69 R 8.99 4.36 0.00 1.86 1.91 0.00 3.06 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 70 V 8.89 3.60 2.20 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 0.85 0.00 0.00 0.93 0.00 0.00 71 T 7.27 4.73 4.22 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 1.19 0.00 0.00 72 D 8.71 4.42 0.00 2.65 2.73 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 73 T 7.88 4.54 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 1.23 0.00 0.00 74 E 7.96 5.01 0.00 2.05 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 2.22 2.22 0.00 75 L 9.08 5.21 0.00 1.59 1.23 0.92 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 76 R 9.43 5.42 0.00 1.76 1.82 0.00 3.19 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 77 L 8.52 4.55 0.00 0.27 0.69 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 9.48 4.92 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 79 V 8.82 4.67 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 0.73 0.00 0.00 0.78 0.00 0.00 80 A 8.91 4.77 1.15 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 0.00 0.00 0.00 0.00 0.00 81 N 8.66 4.23 0.00 2.87 2.84 0.00 0.00 6.89 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 82 M 7.94 4.24 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 83 S 8.93 4.64 0.00 4.01 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 84 Q 7.65 4.66 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 85 G 8.59 4.02 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 0.00 0.00 0.00 86 R 7.86 4.78 0.00 2.00 2.05 0.00 2.95 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 87 T 8.13 5.14 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 1.27 0.00 0.00 *90 L 8.28 4.68 0.00 1.62 1.61 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 9.60 5.29 0.00 3.30 3.18 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 92 C 9.26 4.83 0.00 2.67 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 93 T 8.93 5.15 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 -0.18 0.00 0.00 94 C 8.62 5.95 0.00 3.34 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 95 S 8.63 5.22 0.00 4.14 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 96 A 9.07 4.37 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 97 D 7.46 4.28 0.00 2.57 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 98 R 7.37 3.49 0.00 1.26 0.66 0.00 2.35 0.00 0.00 3.04 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.20 0.00 99 V 7.31 4.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.80 0.00 0.00 100 G 8.45 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 *103 N 7.52 4.88 0.00 2.78 2.87 0.00 0.00 7.59 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 *105 T 7.98 4.06 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 106 L 8.05 4.52 0.00 1.44 1.35 0.85 0.80 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 0.00 107 Y 8.83 4.85 0.00 2.80 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 0.00 108 F 9.10 4.89 0.00 2.82 3.01 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 0.00 109 G 8.96 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 0.00 0.00 0.00 110 E 9.18 4.54 0.00 2.03 2.11 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 2.33 2.44 0.00 111 G 9.10 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.68 4.84 0.00 3.74 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 0.00 113 R 9.04 4.14 0.00 1.93 1.97 0.00 3.11 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 114 L 8.82 5.17 0.00 1.73 1.57 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.61 4.68 1.94 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 1.14 1.04 0.90 0.00 0.00 116 V 8.78 5.06 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 0.83 0.00 0.00 0.93 0.00 0.00 116A V 8.11 4.13 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 0.76 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.