NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2268 8.4401 121.4746 55.6877 31.6720 175.7544 2 A 4.3325 7.7620 120.7742 50.4450 19.9209 175.7779 3 A 4.0465 8.8023 123.5038 53.8990 19.8228 175.8294 4 V 4.5887 7.7579 115.4342 61.4489 33.9876 175.0172 5 T 4.5880 9.3866 125.3176 62.0066 70.6143 172.8766 6 Q 5.2926 8.7603 128.3136 54.4250 31.0485 174.7197 7 S 4.9161 9.1714 120.1171 56.1787 66.8455 172.1510 8 P 4.7971 0.0000 0.0000 62.4247 32.2658 176.5710 9 R 4.3778 8.4648 117.3315 58.7648 31.0172 176.4693 10 N 5.5057 7.9622 113.9546 51.5201 43.0968 174.2521 11 K 4.4893 9.0857 122.7742 55.3304 36.0666 174.5486 12 V 4.8980 8.5351 127.2376 61.2002 33.2767 174.4542 13 A 4.9504 9.1157 128.8283 50.2121 23.0264 174.6777 14 V 4.4726 9.1099 119.8241 61.1184 33.8564 175.6094 15 T 4.0801 8.2668 122.9541 65.8210 68.7259 174.4140 16 G 4.1400 8.9687 115.0655 44.3700 0.0000 173.3580 17 E 4.1631 8.0349 121.4894 55.7002 30.9523 175.6313 18 K 4.7075 8.5069 127.8328 56.1905 33.3264 175.9472 19 V 4.4320 8.8447 127.2037 61.2881 34.7327 174.0385 20 T 4.9202 8.4785 123.4841 61.7272 71.0981 173.1172 21 L 4.6528 8.7241 126.7727 52.9815 44.3182 175.3645 22 S 5.3151 9.4515 118.3686 56.9086 65.0459 172.0160 23 C 5.3090 9.3940 125.5573 55.0384 44.8326 172.1232 24 Q 5.4060 9.4152 128.5360 54.2834 31.2077 174.1463 25 Q 5.1814 9.5042 123.6178 53.1404 32.4253 175.5020 26 T 4.3645 8.3351 111.3409 61.7779 69.2548 174.0788 27 N 4.4485 8.1929 117.1436 53.4834 38.6929 174.5379 28 N 4.1582 7.9300 115.0610 54.6613 37.3854 173.6422 29 H 4.5142 8.2282 113.3371 55.3267 29.1564 175.8792 30 N 4.4753 8.9286 121.5588 55.8372 39.1159 174.6691 31 N 5.5330 8.0383 115.1839 51.5231 40.7405 174.5940 32 M 5.2008 7.5183 120.4339 53.9823 37.1268 173.6333 33 Y 5.4229 8.8246 116.9406 56.4820 43.2965 174.1781 34 W 5.5364 9.5954 122.0065 55.3673 32.7020 174.1942 35 Y 5.4583 9.8457 122.1208 56.2275 41.7216 174.4235 36 R 4.8293 9.1254 122.1647 54.5690 32.9813 174.2651 37 Q 4.9467 8.9930 128.5703 55.1139 30.0274 175.4035 38 D 4.7385 9.4241 127.6123 52.1753 41.0054 177.3280 39 T 3.8190 8.3650 108.8017 64.1854 68.7965 175.2536 40 G 3.8516 8.2127 109.5680 45.3246 0.0000 173.4086 41 H 4.0099 8.4534 114.7939 56.0927 27.0715 175.2714 42 G 3.7693 8.3534 107.5985 46.3000 0.0000 173.1352 43 L 5.0710 8.2991 122.3554 53.0703 43.2323 175.9810 44 R 4.7073 9.1896 124.3401 54.3682 32.4711 175.5491 45 L 4.0805 8.6866 126.4159 55.4224 42.9407 176.3804 46 I 4.0633 9.1235 128.4277 63.2579 37.9842 175.2611 47 H 5.6078 7.9890 117.1891 54.8690 33.9104 171.2526 48 Y 5.2878 8.7749 118.0751 56.3661 42.2959 173.4167 49 S 4.5035 8.0367 112.5574 57.4546 65.6947 174.2393 50 Y 4.5211 9.5551 124.4203 57.5391 38.3289 175.5061 51 G 4.0603 7.3722 109.8498 43.4727 0.0000 171.5969 52 A 3.9808 7.1520 119.2706 54.2205 18.3347 178.3363 53 G 3.9829 9.3573 112.7629 44.7081 0.0000 172.5772 54 N 5.1163 7.8964 118.5705 52.0539 40.5422 174.2038 55 T 4.9182 8.3475 114.5575 60.0549 72.2148 172.8448 56 E 4.5505 9.0683 122.6119 54.2064 33.6786 175.1683 57 K 4.3633 8.6609 123.1977 56.4738 32.6564 177.6570 58 G 4.2425 8.6967 116.6260 46.8083 0.0000 173.9920 59 D 4.8150 8.9229 120.7387 55.1232 40.8340 177.4218 60 I 4.7325 7.2063 111.0375 59.2849 37.4706 174.8857 61 P 4.3582 0.0000 0.0000 65.7708 32.1669 177.1807 62 D 4.3444 7.3621 120.5287 55.7929 40.8889 176.7281 63 G 3.5741 8.7292 112.3215 45.3857 0.0000 172.1980 *65 Y 4.7035 7.2293 115.4981 57.9213 39.3365 174.3003 66 K 4.7273 9.0332 122.4010 54.5661 35.9065 174.6219 67 A 5.0013 8.2465 125.4231 50.1207 22.3683 175.4503 68 S 4.4762 8.7596 114.0646 56.6362 66.1369 173.2569 69 R 5.0123 8.8474 127.4176 53.2471 29.1501 173.9389 70 P 4.4433 0.0000 0.0000 64.0772 31.9379 176.7649 71 S 4.5622 7.5588 112.5388 57.1193 65.5541 174.8918 72 Q 3.9851 8.7655 121.8338 58.9677 28.7867 177.1060 73 E 4.4328 7.8719 112.8303 56.3614 30.2169 175.2788 74 Q 5.1190 7.8319 120.8410 54.1802 32.1087 173.9147 75 F 5.3488 9.3262 128.1716 57.0010 41.8671 173.8040 76 S 5.1237 9.2353 123.2463 56.8506 65.6905 173.0272 77 L 4.5369 8.3341 125.2914 53.0595 44.3367 175.0015 78 I 4.7526 8.7309 126.9075 59.4928 40.4546 174.4875 79 L 4.5114 8.8485 128.3309 52.8704 42.1190 177.0590 80 E 3.7823 8.7081 126.1150 58.9337 29.8963 176.9294 81 S 4.5007 7.5336 113.7237 56.2389 64.1131 172.4185 82 A 4.5214 9.0729 128.4309 52.3405 19.4816 176.2519 83 T 4.7930 8.6914 110.7324 59.0189 72.0797 173.3037 84 P 4.4106 0.0000 0.0000 65.9106 31.5038 178.8089 85 S 4.2717 8.0245 110.9965 60.5990 62.9181 174.7508 86 Q 4.4361 8.1276 119.1780 56.4623 28.9026 175.8449 87 T 4.1439 7.7822 116.0424 64.7112 68.9111 173.4586 88 S 4.5142 8.6369 120.2228 58.0388 67.2244 175.2702 89 V 4.5778 7.5627 122.3488 61.9783 33.0592 173.9819 90 Y 5.3279 9.0843 125.0194 56.3011 41.3423 174.6286 91 F 5.3781 9.5997 121.1228 55.9496 43.0014 172.0244 92 C 5.1140 8.7397 117.0474 54.0377 45.3922 172.1001 93 A 5.2181 8.4930 120.1171 50.9855 22.6891 175.2300 94 S 5.1453 8.9884 113.2912 57.0158 67.3060 173.2368 95 G 4.2282 7.7826 107.7811 46.4505 0.0000 171.9238 96 G 4.4580 8.0341 106.6121 44.0263 0.0000 175.6801 97 G 3.8363 8.7892 110.2883 47.0624 0.0000 174.9555 98 G 3.9590 8.7255 113.5420 45.4090 0.0000 173.0436 99 T 4.1137 7.8407 118.2884 63.1887 69.7575 173.6489 100 L 4.6891 8.3022 125.2090 53.2071 44.4738 175.5932 101 Y 4.2644 9.3464 123.9115 56.3729 39.3468 175.2546 *108 F 4.8973 8.5809 122.7230 57.0565 40.4640 175.4610 109 G 4.0964 9.2660 109.6734 46.0757 0.0000 173.4085 110 A 4.4963 8.7826 121.1607 52.4009 19.0979 178.7073 111 G 3.3413 8.6143 101.2537 45.2210 0.0000 173.0488 112 T 4.7975 8.5046 116.3177 61.5792 72.2494 173.3770 113 R 4.6657 8.9501 126.4797 55.1954 31.6422 175.0958 114 L 5.1269 9.0294 127.4109 53.2668 44.5925 174.8743 115 S 5.0069 9.0113 120.8359 56.4730 65.2301 172.4536 116 V 4.7456 8.5328 127.7275 61.2758 32.8733 175.4460 117 L 4.3628 8.8533 127.7855 54.8963 41.8100 176.7308 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 E 8.44 4.23 0.00 1.97 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 0.00 2.22 2.34 0.00 2 A 7.76 4.33 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 3 A 8.80 4.05 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 4 V 7.76 4.59 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 0.91 0.00 0.00 1.04 0.00 0.00 5 T 9.39 4.59 4.27 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 1.25 0.00 0.00 6 Q 8.76 5.29 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.73 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 7 S 9.17 4.92 0.00 3.91 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 8 P 0.00 4.80 0.00 2.40 2.11 0.00 3.77 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 2.05 1.98 0.00 9 R 8.46 4.38 0.00 1.78 2.04 0.00 3.32 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 10 N 7.96 5.51 0.00 2.55 2.66 0.00 0.00 6.61 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 11 K 9.09 4.49 0.00 1.80 1.58 0.00 1.46 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.40 7.81 12 V 8.54 4.90 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 0.85 0.00 0.00 0.94 0.00 0.00 13 A 9.12 4.95 1.16 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 0.00 0.00 14 V 9.11 4.47 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 0.94 0.00 0.00 0.92 0.00 0.00 15 T 8.27 4.08 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 1.23 0.00 0.00 16 G 8.97 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 17 E 8.03 4.16 0.00 2.09 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 2.26 2.22 0.00 18 K 8.51 4.71 0.00 1.87 1.65 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.47 7.81 19 V 8.84 4.43 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 0.63 0.00 0.00 0.86 0.00 0.00 20 T 8.48 4.92 4.18 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 1.13 0.00 0.00 21 L 8.72 4.65 0.00 0.77 1.42 0.26 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.45 5.32 0.00 3.91 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 23 C 9.39 5.31 0.00 2.95 3.17 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 0.00 0.00 0.00 0.00 24 Q 9.42 5.41 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 25 Q 9.50 5.18 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.65 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 26 T 8.34 4.36 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 1.23 0.00 0.00 27 N 8.19 4.45 0.00 2.10 2.44 0.00 0.00 7.06 8.00 0.00 0.00 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 N 7.93 4.16 0.00 2.78 2.83 0.00 0.00 7.13 7.89 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 29 H 8.23 4.51 0.00 3.23 3.38 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.93 4.48 0.00 2.77 3.04 0.00 0.00 7.08 6.92 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 31 N 8.04 5.53 0.00 2.76 2.26 0.00 0.00 6.37 6.94 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 32 M 7.52 5.20 0.00 1.73 1.15 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 33 Y 8.82 5.42 0.00 2.90 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 34 W 9.60 5.54 0.00 3.27 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 35 Y 9.85 5.46 0.00 3.36 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 36 R 9.13 4.83 0.00 1.75 1.72 0.00 3.18 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.70 0.00 37 Q 8.99 4.95 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 38 D 9.42 4.74 0.00 2.90 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 39 T 8.37 3.82 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 40 G 8.21 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 41 H 8.45 4.01 0.00 3.22 3.37 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.35 3.77 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 0.00 0.00 0.00 43 L 8.30 5.07 0.00 1.24 1.35 0.21 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.19 4.71 0.00 1.78 1.92 0.00 3.15 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 45 L 8.69 4.08 0.00 1.83 1.60 0.52 0.96 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 46 I 9.12 4.06 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.71 0.52 0.00 0.00 47 H 7.99 5.61 0.00 3.16 3.26 0.00 5.58 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.77 5.29 0.00 2.56 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 S 8.04 4.50 0.00 3.21 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 50 Y 9.56 4.52 0.00 3.06 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 51 G 7.37 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 0.00 0.00 0.00 0.00 52 A 7.15 3.98 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 53 G 9.36 3.98 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 0.00 0.00 0.00 54 N 7.90 5.12 0.00 2.75 2.87 0.00 0.00 6.91 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 55 T 8.35 4.92 4.27 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 1.41 0.00 0.00 56 E 9.07 4.55 0.00 1.16 1.12 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 1.88 1.73 0.00 57 K 8.66 4.36 0.00 1.67 1.79 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.49 7.81 58 G 8.70 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 0.00 0.00 0.00 0.00 59 D 8.92 4.81 0.00 2.65 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 60 I 7.21 4.73 1.98 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 1.60 0.99 0.97 0.00 0.00 61 P 0.00 4.36 0.00 2.26 2.19 0.00 3.89 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 62 D 7.36 4.34 0.00 2.92 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 63 G 8.73 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 0.00 0.00 0.00 *65 Y 7.23 4.70 0.00 3.05 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 66 K 9.03 4.73 0.00 1.73 1.53 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.23 1.29 7.81 67 A 8.25 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.76 4.48 0.00 3.82 3.61 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 69 R 8.85 5.01 0.00 2.17 1.91 0.00 3.67 0.00 0.00 3.11 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 70 P 0.00 4.44 0.00 2.24 2.19 0.00 4.23 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 2.04 1.99 0.00 71 S 7.56 4.56 0.00 3.99 3.99 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 72 Q 8.77 3.99 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.06 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 73 E 7.87 4.43 0.00 2.38 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 0.00 2.27 2.21 0.00 74 Q 7.83 5.12 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 75 F 9.33 5.35 0.00 2.87 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 76 S 9.24 5.12 0.00 3.71 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 77 L 8.33 4.54 0.00 0.27 0.13 0.64 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.73 4.75 1.76 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 1.12 0.55 0.87 0.00 0.00 79 L 8.85 4.51 0.00 1.44 1.46 0.74 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.71 3.78 0.00 1.83 1.91 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 2.25 2.31 0.00 81 S 7.53 4.50 0.00 3.84 3.61 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 82 A 9.07 4.52 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 83 T 8.69 4.79 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 1.21 0.00 0.00 84 P 0.00 4.41 0.00 2.20 2.17 0.00 3.59 0.00 0.00 3.81 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 85 S 8.02 4.27 0.00 3.99 4.01 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 86 Q 8.13 4.44 0.00 2.20 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 87 T 7.78 4.14 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 1.27 0.00 0.00 88 S 8.64 4.51 0.00 3.77 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 89 V 7.56 4.58 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 0.73 0.00 0.00 0.93 0.00 0.00 90 Y 9.08 5.33 0.00 3.03 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 91 F 9.60 5.38 0.00 3.18 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 5.11 0.00 1.91 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 93 A 8.49 5.22 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.99 5.15 0.00 3.99 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 95 G 7.78 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 0.00 0.00 0.00 0.00 96 G 8.03 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.79 3.84 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 0.00 0.00 0.00 98 G 8.73 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 99 T 7.84 4.11 4.41 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 1.25 0.00 0.00 100 L 8.30 4.69 0.00 1.27 0.80 0.76 0.11 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 0.00 101 Y 9.35 4.26 0.00 2.97 2.92 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 *108 F 8.58 4.90 0.00 2.91 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 0.00 109 G 9.27 4.10 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 0.00 0.00 0.00 110 A 8.78 4.50 1.38 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 0.00 0.00 111 G 8.61 3.34 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 0.00 112 T 8.50 4.80 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 1.28 0.00 0.00 113 R 8.95 4.67 0.00 1.78 1.89 0.00 3.10 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 114 L 9.03 5.13 0.00 1.81 1.94 0.94 0.97 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 0.00 115 S 9.01 5.01 0.00 3.92 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 0.00 116 V 8.53 4.75 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 0.85 0.00 0.00 0.98 0.00 0.00 117 L 8.85 4.36 0.00 1.61 1.53 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.