NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 L 4.1051 8.1731 120.7585 53.8821 41.4878 173.2009 5 G 3.9488 8.6086 111.6061 46.6893 0.0000 170.3177 6 S 4.3444 9.5735 124.6347 60.0830 63.6953 170.1219 7 R 4.8619 7.9475 118.9052 53.6765 31.7485 175.6774 8 G 3.2627 7.6638 107.8803 46.4158 0.0000 171.5598 9 R 4.8027 7.4794 118.4350 54.2043 33.2769 175.6558 10 L 5.2639 8.5248 122.1980 53.5522 43.9098 175.5887 11 W 5.4446 8.5127 118.9808 55.0523 32.5142 173.2952 12 L 4.9090 8.8500 121.0174 53.0677 43.6071 175.3374 13 Q 4.8987 8.8790 126.0792 55.1078 30.4756 175.1270 14 S 4.9947 8.6636 122.1320 56.4290 64.9158 172.3065 15 P 4.4092 0.0000 0.0000 62.5971 31.7577 176.3045 16 T 3.8513 8.3968 116.7756 65.6081 68.6437 174.4022 17 G 3.8686 8.9803 113.3332 46.5877 0.0000 173.2695 18 G 4.3404 7.3707 110.4695 42.6416 0.0000 172.2651 19 P 4.3885 0.0000 0.0000 61.9354 31.7908 174.4713 20 P 4.5294 0.0000 0.0000 61.4066 31.9932 174.5083 21 P 4.3808 0.0000 0.0000 64.0152 31.8389 176.6540 22 I 4.4088 8.6476 125.3182 59.9104 37.5491 174.7885 23 F 4.7534 8.9140 125.4720 57.1372 39.8776 174.8865 24 L 4.8336 8.5934 122.4862 52.1429 43.6217 174.9970 25 P 4.2509 0.0000 0.0000 63.7108 31.5983 176.4416 26 S 4.6236 8.7685 118.0074 58.8171 63.1335 174.1588 27 D 4.7003 8.1395 119.0171 52.9484 39.5943 177.2468 28 G 4.0222 8.2237 108.7645 45.4658 0.0000 174.2862 29 Q 4.0974 7.6703 117.8989 55.7473 29.2871 175.9040 30 A 4.5643 8.2952 122.8860 51.7117 19.8927 176.6882 31 L 4.6439 8.8210 122.3701 53.2134 45.0253 175.5932 32 V 4.4959 8.5196 126.7203 62.3630 32.6121 174.9666 33 L 4.8179 8.9896 127.2168 53.0294 45.3835 176.9273 34 G 4.0613 7.8433 106.5665 46.1960 0.0000 172.1602 35 R 3.9313 8.7895 123.5336 56.2349 30.2385 177.4989 36 G 3.9889 7.5264 113.9209 44.8390 0.0000 171.1421 37 P 4.2238 0.0000 0.0000 65.1093 31.5219 177.7132 38 L 4.1051 8.0256 120.8302 57.6398 42.1438 177.4058 39 T 4.2290 7.8096 106.0648 61.0844 69.7228 174.9334 40 Q 3.4955 8.1911 119.4540 56.5256 27.0855 173.2159 41 V 3.6044 7.4184 118.7316 62.6174 31.8612 176.4645 42 T 4.3288 8.0412 115.4522 61.0426 69.6582 173.5884 43 D 4.3817 7.6453 123.5539 54.3440 41.5232 176.8822 44 R 4.0120 8.6225 127.1715 59.0413 30.3811 177.6553 45 K 4.1241 8.2238 116.6594 58.6313 32.2557 176.7385 46 C 4.3833 7.8229 119.8515 58.3251 32.2816 173.2291 47 S 4.3854 8.9117 121.6391 57.9760 62.6565 175.2520 48 R 4.3144 8.5353 124.0983 58.4818 30.1030 176.8489 49 N 4.9108 7.7630 114.7389 51.3887 39.0359 173.3980 50 Q 4.2893 8.2946 123.3769 58.1099 30.6826 175.2988 51 V 4.9785 8.0291 111.1030 59.5181 36.6172 173.7288 52 E 5.0286 9.2350 124.7699 54.5303 31.8738 174.4657 53 L 5.2960 8.9550 126.7966 53.0203 45.1293 175.4881 54 I 4.7726 8.5725 123.1475 59.4762 40.2357 174.6092 55 A 4.6703 8.7207 129.1465 51.4005 20.2546 176.5697 56 D 4.6943 9.0209 120.6821 51.2798 41.6678 174.1420 57 P 4.6399 0.0000 0.0000 65.3085 31.9907 178.0120 58 E 4.1163 8.3689 116.9600 59.0604 29.4340 177.9027 59 S 4.3240 7.6008 110.2842 57.6530 63.9578 173.8661 60 R 3.7327 7.5345 119.5759 57.8155 27.7560 175.2437 61 T 4.9720 7.4664 105.3531 59.9512 73.4576 173.2974 62 V 4.8043 8.4831 120.8063 61.1022 34.9637 174.1393 63 A 4.6424 8.8688 130.4088 51.6582 20.0265 176.1860 64 V 4.6984 8.9152 122.3363 61.0541 34.4730 173.9929 65 K 4.9680 8.7248 130.1111 54.0081 34.2848 174.9446 66 Q 4.6441 8.8414 129.3782 56.0885 29.5777 175.9256 67 L 4.5975 9.0444 125.8273 55.1095 44.1322 177.5482 68 G 3.9030 8.1011 106.9623 44.6436 0.0000 174.0594 69 V 3.7411 8.3421 119.8223 63.9699 31.7722 176.5509 70 N 4.8407 7.7897 116.3843 50.6102 40.1791 172.6914 71 P 4.6489 0.0000 0.0000 63.1986 32.4736 175.9449 72 S 5.1115 9.4479 121.0656 58.1365 65.1178 173.2440 73 T 4.9334 8.8771 118.2325 61.9870 71.9703 173.3342 74 V 4.3297 8.9070 127.7506 60.8923 32.9191 176.9651 75 G 4.0250 9.1036 122.0776 47.0989 0.0000 173.4672 76 V 4.1403 8.8129 116.3368 60.8588 31.8890 174.6579 77 H 4.6916 7.9839 118.8012 53.7759 29.2490 173.2682 78 E 4.5340 8.6591 126.6270 56.0649 30.1578 176.4080 79 L 4.6673 8.7113 127.6700 53.7136 44.1062 175.2698 80 K 4.7821 8.1612 117.5581 53.8746 37.0758 174.5928 81 P 4.5551 0.0000 0.0000 64.3900 31.5130 177.1662 82 G 3.9930 9.0000 112.2612 44.9083 0.0000 173.3400 83 L 4.6877 7.7961 119.4240 53.7988 43.6042 175.8678 84 S 5.2556 8.4948 115.4288 57.0289 67.5971 173.2317 85 G 4.2393 8.9773 108.7612 44.6430 0.0000 170.8790 86 S 5.2463 8.5261 113.1224 56.2931 65.5753 172.9170 87 L 4.7046 8.8739 126.3881 53.2994 43.8909 176.3994 88 S 4.8712 9.3406 120.3331 56.3134 65.8660 173.7681 89 L 4.0876 8.1982 121.2335 56.6624 41.6107 177.9014 90 G 3.9574 8.7453 112.4337 45.2485 0.0000 173.6755 91 D 4.6571 7.9464 119.7312 54.2666 42.2188 175.7072 92 V 4.5944 8.2077 120.4111 59.9047 34.5145 174.1430 93 L 4.8685 8.6937 125.9079 53.7228 44.0716 174.6579 94 Y 4.6934 8.9112 125.8694 56.8378 38.5087 176.6680 95 L 4.0863 8.5988 125.6967 57.4349 42.2008 178.4358 96 V 4.6710 8.0290 114.8695 61.8641 34.2574 173.3726 97 N 4.1621 9.5572 119.1331 54.4904 36.6077 174.9341 98 G 3.5194 8.3668 101.3822 46.1358 0.0000 173.8203 99 L 4.4987 7.4636 118.5044 53.1525 45.6169 174.8508 100 Y 3.9924 7.7410 116.4753 58.5164 34.3522 167.4920 101 P 4.6081 0.0000 0.0000 62.3318 33.3415 177.2326 102 L 4.8724 8.7435 122.3206 53.3799 45.2386 175.4010 103 T 4.7536 8.5108 121.0179 61.7495 70.8329 173.8028 104 L 4.3385 8.2977 128.7676 54.9234 43.4481 175.8944 105 R 4.8803 8.4840 124.3079 53.9142 35.0078 173.7926 106 W 5.4211 8.5038 128.8561 55.9151 33.4251 173.5311 107 E 4.6658 8.8882 128.9689 54.3659 30.5019 175.5668 108 E 4.2891 8.6127 126.2381 56.2106 30.6144 177.7501 109 L 4.0285 8.4305 122.7983 57.9663 42.4383 178.0784 110 S 4.3346 7.9417 117.8004 58.2906 62.2512 175.5403 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 *4 L 8.17 4.11 0.00 1.68 1.57 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.61 3.95 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 0.00 0.00 0.00 6 S 9.57 4.34 0.00 3.64 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 0.00 7 R 7.95 4.86 0.00 1.85 1.93 0.00 3.32 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 8 G 7.66 3.26 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 0.00 0.00 0.00 0.00 9 R 7.48 4.80 0.00 1.93 2.11 0.00 2.98 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 10 L 8.52 5.26 0.00 1.73 1.65 1.07 1.07 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 11 W 8.51 5.44 0.00 2.77 1.74 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 0.00 0.00 0.00 0.00 12 L 8.85 4.91 0.00 1.59 1.55 0.91 0.59 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 13 Q 8.88 4.90 0.00 1.52 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 14 S 8.66 4.99 0.00 3.99 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 15 P 0.00 4.41 0.00 2.22 2.01 0.00 3.66 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 16 T 8.40 3.85 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 1.24 0.00 0.00 17 G 8.98 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 18 G 7.37 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 0.00 0.00 0.00 0.00 19 P 0.00 4.39 0.00 2.09 2.03 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 2.11 2.14 0.00 20 P 0.00 4.53 0.00 2.06 2.00 0.00 3.74 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 2.04 2.11 0.00 21 P 0.00 4.38 0.00 2.02 1.64 0.00 3.66 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 1.86 2.00 0.00 22 I 8.65 4.41 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.02 0.98 0.00 0.00 23 F 8.91 4.75 0.00 2.89 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 24 L 8.59 4.83 0.00 1.59 1.63 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.25 0.00 2.23 2.13 0.00 3.72 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 2.07 2.17 0.00 26 S 8.77 4.62 0.00 3.90 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 27 D 8.14 4.70 0.00 2.79 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 28 G 8.22 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 29 Q 7.67 4.10 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 30 A 8.30 4.56 1.23 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 31 L 8.82 4.64 0.00 1.75 1.52 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.52 4.50 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 0.91 0.00 0.00 0.94 0.00 0.00 33 L 8.99 4.82 0.00 1.58 1.52 0.94 0.60 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 34 G 7.84 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 35 R 8.79 3.93 0.00 1.71 1.85 0.00 3.36 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 36 G 7.53 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 0.00 0.00 0.00 37 P 0.00 4.22 0.00 2.19 2.19 0.00 3.77 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 1.99 1.95 0.00 38 L 8.03 4.11 0.00 1.62 1.74 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.81 4.23 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 1.22 0.00 0.00 40 Q 8.19 3.50 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 41 V 7.42 3.60 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 0.39 0.00 0.00 0.64 0.00 0.00 42 T 8.04 4.33 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 1.17 0.00 0.00 43 D 7.65 4.38 0.00 2.66 2.57 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 44 R 8.62 4.01 0.00 1.82 1.96 0.00 3.30 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 45 K 8.22 4.12 0.00 1.98 1.91 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.41 7.81 46 C 7.82 4.38 0.00 3.00 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 47 S 8.91 4.39 0.00 3.92 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 48 R 8.54 4.31 0.00 1.84 1.98 0.00 3.20 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 49 N 7.76 4.91 0.00 2.65 2.73 0.00 0.00 6.84 7.69 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 50 Q 8.29 4.29 0.00 2.38 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 51 V 8.03 4.98 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 0.69 0.00 0.00 0.95 0.00 0.00 52 E 9.23 5.03 0.00 2.01 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 0.00 2.22 2.27 0.00 53 L 8.96 5.30 0.00 1.61 1.54 0.93 0.57 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 54 I 8.57 4.77 1.88 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 1.18 1.06 0.97 0.00 0.00 55 A 8.72 4.67 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 56 D 9.02 4.69 0.00 2.77 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 57 P 0.00 4.64 0.00 2.26 2.45 0.00 3.82 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 2.29 2.28 0.00 58 E 8.37 4.12 0.00 1.97 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 2.35 2.35 0.00 59 S 7.60 4.32 0.00 3.74 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 0.00 60 R 7.53 3.73 0.00 1.72 1.73 0.00 2.65 0.00 0.00 2.38 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 61 T 7.47 4.97 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 1.16 0.00 0.00 62 V 8.48 4.80 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 1.09 0.00 0.00 0.94 0.00 0.00 63 A 8.87 4.64 1.26 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 0.00 0.00 0.00 64 V 8.92 4.70 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 1.02 0.00 0.00 0.98 0.00 0.00 65 K 8.72 4.97 0.00 1.88 1.65 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.21 7.81 66 Q 8.84 4.64 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.35 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 67 L 9.04 4.60 0.00 1.70 1.68 0.93 0.95 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 68 G 8.10 3.90 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 0.00 0.00 0.00 69 V 8.34 3.74 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 0.77 0.00 0.00 0.94 0.00 0.00 70 N 7.79 4.84 0.00 2.87 2.80 0.00 0.00 6.92 8.02 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 71 P 0.00 4.65 0.00 2.12 2.20 0.00 3.85 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 2.07 2.00 0.00 72 S 9.45 5.11 0.00 3.83 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 73 T 8.88 4.93 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 74 V 8.91 4.33 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 0.98 0.00 0.00 0.95 0.00 0.00 75 G 9.10 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.81 4.14 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 0.77 0.00 0.00 0.85 0.00 0.00 77 H 7.98 4.69 0.00 3.42 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.66 4.53 0.00 1.98 1.86 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 2.30 2.34 0.00 79 L 8.71 4.67 0.00 1.78 1.62 0.94 0.80 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 K 8.16 4.78 0.00 1.65 1.65 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.45 7.81 81 P 0.00 4.56 0.00 2.04 2.01 0.00 3.67 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 2.03 2.30 0.00 82 G 9.00 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 0.00 0.00 0.00 83 L 7.80 4.69 0.00 1.73 1.59 0.93 0.60 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 84 S 8.49 5.26 0.00 3.71 3.69 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 85 G 8.98 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 86 S 8.53 5.25 0.00 3.82 3.66 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 0.00 0.00 0.00 0.00 87 L 8.87 4.70 0.00 1.67 1.50 0.88 0.73 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 88 S 9.34 4.87 0.00 3.80 3.72 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 89 L 8.20 4.09 0.00 1.55 1.56 0.74 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.75 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 91 D 7.95 4.66 0.00 2.70 2.56 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 0.00 0.00 0.00 0.00 92 V 8.21 4.59 1.85 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 0.64 0.00 0.00 0.03 0.00 0.00 93 L 8.69 4.87 0.00 1.67 1.63 0.95 0.92 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 94 Y 8.91 4.69 0.00 3.01 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 95 L 8.60 4.09 0.00 1.90 1.86 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.03 4.67 2.19 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 0.88 0.00 0.00 1.06 0.00 0.00 97 N 9.56 4.16 0.00 2.86 2.88 0.00 0.00 6.99 7.81 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 98 G 8.37 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.46 4.50 0.00 0.96 0.13 0.73 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.74 3.99 0.00 3.35 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 0.00 101 P 0.00 4.61 0.00 1.81 1.59 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 102 L 8.74 4.87 0.00 1.45 1.50 0.93 0.65 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 0.00 103 T 8.51 4.75 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 1.10 0.00 0.00 104 L 8.30 4.34 0.00 1.68 1.41 0.89 0.82 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 0.00 105 R 8.48 4.88 0.00 0.67 1.20 0.00 2.89 0.00 0.00 2.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.91 0.00 106 W 8.50 5.42 0.00 3.28 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 0.00 107 E 8.89 4.67 0.00 2.28 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 2.17 2.29 0.00 108 E 8.61 4.29 0.00 2.09 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 2.67 2.52 0.00 109 L 8.43 4.03 0.00 1.62 1.68 0.91 0.75 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 0.00 110 S 7.94 4.33 0.00 3.63 3.63 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 * Residues marked with a * may have inaccurate shift predictions.