NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2375 8.3344 116.7849 58.4962 65.3289 173.6861 -7 D 5.0923 7.5066 125.4295 51.6580 40.7019 174.4820 -6 P 4.0008 0.0000 0.0000 65.4373 32.2663 177.8880 -5 S 5.0432 8.3336 111.8407 58.9554 62.9288 174.8938 -4 S 4.7620 8.6450 116.6969 58.3688 63.5380 175.9466 -3 I 4.4177 7.7051 122.9351 63.0175 37.6869 177.5457 -2 N 4.6853 7.5739 115.8017 51.8984 39.7887 176.2482 -1 G 3.9960 7.8720 106.0225 44.7669 0.0000 172.3114 -7 G 4.4123 7.4966 113.8295 42.5580 0.0000 173.0820 -6 I 3.7508 9.2727 128.7385 63.2373 38.9663 176.9880 -5 V 4.6932 8.0536 115.3407 62.8554 32.0288 176.5938 -4 V 4.4120 8.3650 120.1969 62.2688 32.6380 177.6466 -3 A 4.5677 7.9451 126.8351 54.4175 17.9869 178.9457 -2 M 4.4253 7.4539 116.7017 54.1984 33.7887 177.3482 -1 T 4.3860 7.6920 110.8225 61.4669 68.1188 172.1114 8 G 3.9111 8.7385 110.6094 44.3663 0.0000 171.3420 9 K 4.1122 8.5777 121.1398 57.3506 31.2766 176.1658 10 D 4.4928 8.8181 126.0502 54.6931 38.4908 173.3172 11 C 4.7203 7.5729 112.2190 57.3801 32.7049 172.5738 12 V 5.0128 7.8669 111.8775 59.8266 35.5458 174.9056 13 A 4.6100 8.3318 122.6152 50.3853 22.0138 175.3773 14 I 5.0486 8.2262 121.1154 59.2637 40.9080 174.2295 15 A 4.8938 8.4558 128.8776 50.9803 22.3424 174.4269 16 C 5.3741 8.3156 113.1606 57.2981 32.9741 173.0916 17 D 4.7373 8.5200 119.7922 52.7735 40.8586 175.8377 18 L 5.0078 8.0478 115.5210 53.5486 43.3984 176.8960 19 R 4.6508 8.1568 119.8248 56.3663 31.2841 175.7020 20 L 4.4744 8.8107 126.3638 53.9152 45.2561 174.9473 21 G 4.6514 8.4266 113.9289 44.7089 0.0000 172.1980 22 S 4.6465 8.5519 113.0100 56.1319 62.7559 176.2996 23 Q 3.6299 8.6542 128.6242 56.4482 26.6654 176.6896 24 S 4.1649 8.7953 120.3866 61.7111 63.2569 174.2293 25 L 4.0690 7.8525 124.1141 54.2285 42.0725 175.9777 26 G 4.0024 8.5775 115.8713 45.5001 0.0000 172.6572 27 V 4.2093 8.5498 122.2404 63.3946 33.9492 175.8742 28 S 4.7182 7.6960 112.1892 56.6193 65.3612 173.1292 29 N 4.9959 8.8505 121.9129 52.6379 37.3936 174.4821 30 K 4.5888 8.0909 115.4841 56.6521 33.9111 177.0235 31 F 4.6171 8.5879 125.7634 57.2680 38.6351 173.8932 32 E 4.0289 8.2120 123.3979 55.5688 30.3048 176.4960 33 K 4.2317 8.3420 121.0515 55.9311 34.0122 174.9534 34 I 4.6945 6.9702 120.9484 59.4796 39.3880 174.8022 35 F 4.9914 9.2882 124.7408 56.0326 43.8224 173.5494 36 H 4.8443 7.3983 112.7235 54.1640 30.5571 172.4926 *38 Y 4.7230 7.8227 117.8743 58.7611 38.9971 174.9861 39 G 4.0025 8.2521 116.6242 47.2612 0.0000 173.2204 40 H 4.6324 8.8406 120.6508 55.2355 29.1698 174.6613 41 V 4.2042 7.3289 121.8744 61.8353 32.9960 174.5405 42 F 5.0510 9.2274 126.6723 55.7212 41.9799 174.5587 43 L 5.2890 9.4617 124.3048 53.5558 45.2846 175.1779 44 G 4.5406 9.5321 114.0570 44.8589 0.0000 172.3653 45 I 5.1751 8.8687 123.9154 59.6475 40.4401 175.1533 46 T 4.5393 8.8058 117.4807 60.3864 71.6887 172.7755 47 G 4.1080 8.7711 106.4700 44.1668 0.0000 173.1332 48 L 4.1532 8.8233 124.3648 54.8483 42.6649 178.3118 49 A 4.1884 10.2038 128.6656 55.9939 18.1808 179.0353 50 T 3.8140 8.0405 110.6857 65.4900 67.3271 175.6401 51 D 4.4370 8.1579 120.2870 56.7884 41.1004 178.6426 52 V 3.6590 7.9043 118.9218 66.3072 31.5767 178.2064 53 T 3.7995 8.3519 115.5686 67.0407 68.3179 176.5825 54 T 3.7762 7.9675 117.5435 66.8474 68.4089 176.6352 55 L 3.3503 8.1270 120.9527 57.4577 41.5347 179.0708 56 N 4.3281 7.7422 118.3802 56.1369 38.7931 176.8363 57 E 3.9619 8.0127 120.0564 59.3593 29.4066 179.0373 58 M 3.7171 7.8023 118.3797 58.7076 32.3029 178.4494 59 F 4.3023 7.8399 118.0247 60.1315 38.9594 177.8321 60 R 3.9760 7.9373 120.1300 58.8886 30.0301 177.7213 61 Y 4.0456 7.9230 119.2089 60.8753 38.8001 178.4992 62 K 4.2575 8.5485 119.7506 59.7818 32.3736 179.6230 63 T 4.0071 8.5008 110.3660 64.4937 68.5746 176.4973 64 N 4.4450 8.3315 119.6409 56.4551 38.7960 177.3345 65 L 4.0280 7.8221 119.7549 57.8609 41.6241 179.0885 66 Y 3.9999 8.2864 119.7225 60.5413 38.7698 178.0015 67 K 4.5473 8.2873 122.0052 59.0821 32.1040 178.8616 68 L 4.0213 7.8104 118.4667 57.2221 41.5234 179.2414 69 K 4.1428 7.5944 117.2144 59.1453 31.4235 178.9379 70 E 3.9030 8.3189 118.3434 56.6925 29.1025 177.2695 71 E 3.8783 8.0412 117.3116 56.4375 27.8018 174.1936 72 R 4.5514 7.1529 109.3916 55.1032 32.5065 173.6953 73 A 4.4094 8.4267 122.2982 51.3851 19.3291 177.6472 74 I 3.7054 8.2042 122.0489 61.1437 38.7380 175.7191 75 E 4.6338 8.3250 124.9523 54.0741 32.6465 175.3794 76 P 4.3476 0.0000 0.0000 66.2168 31.3638 178.7491 77 E 3.9842 8.1747 116.2943 59.7871 29.4613 179.4642 78 T 3.8634 7.8648 115.1857 66.5469 68.5835 176.2583 79 F 4.0039 8.5211 122.9154 61.5662 39.3491 176.9978 80 T 3.6692 8.0200 115.3079 66.9395 68.1897 176.3939 81 Q 3.9109 7.7698 119.2965 58.8117 28.6463 178.6794 82 L 3.8503 7.5941 121.3396 57.9683 42.0070 179.1710 83 V 3.3438 7.4774 118.5277 65.8447 31.3650 177.7985 84 S 4.0688 8.0020 113.0582 61.5716 62.1738 176.3163 85 S 4.1682 8.2867 117.0868 61.6303 62.4146 176.5788 86 S 4.1740 8.1475 118.0931 61.2654 62.8722 176.3931 87 L 4.2444 8.3081 121.9740 58.0565 41.4409 178.9485 88 Y 3.8251 8.2695 119.2622 60.2090 38.4187 177.4950 89 E 3.9987 7.9570 119.3107 58.0317 29.8877 177.1089 90 R 4.4257 7.5669 118.2644 55.2598 30.9161 178.1009 91 R 3.1848 7.2114 120.7724 59.0158 29.7530 177.0905 92 F 4.9268 7.1675 113.3829 56.8030 39.7351 176.2231 93 G 4.0575 7.5071 103.8655 43.9021 0.0000 172.5595 94 P 4.0283 0.0000 0.0000 62.5378 32.2642 175.6610 95 Y 4.1965 7.7935 116.9331 57.6455 38.9353 176.6958 96 F 4.6912 8.9214 124.4843 56.4412 37.9186 174.8305 97 V 4.9946 7.8964 114.7272 59.7303 36.6700 175.7179 98 G 4.1737 9.0739 108.4007 43.8143 0.0000 170.3688 99 P 4.9364 0.0000 0.0000 62.8542 32.9754 175.7786 100 V 4.4828 8.8843 121.6503 61.4108 35.0055 173.9224 101 V 5.1135 8.6299 127.0427 61.2260 33.7553 174.4049 102 A 4.7720 9.2707 128.0934 49.8201 22.9236 175.4279 103 G 4.4250 7.8286 107.8507 46.7439 0.0000 171.6640 104 I 4.6257 8.0697 120.2476 59.0286 39.5511 175.7291 105 N 5.0365 8.6869 121.2199 53.4550 38.8041 174.4576 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 -8 S 8.33 4.24 0.00 3.84 3.89 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 -7 D 7.51 5.09 0.00 2.75 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.00 0.00 1.35 1.47 0.00 3.25 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.54 0.00 -5 S 8.33 5.04 0.00 4.17 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 -4 S 8.65 4.76 0.00 3.79 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 -3 I 7.71 4.42 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.28 0.88 0.00 0.00 -2 N 7.57 4.69 0.00 2.93 2.78 0.00 0.00 7.56 7.59 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 -1 G 7.87 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.50 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 0.00 0.00 0.00 0.00 -6 I 9.27 3.75 1.87 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 1.41 1.12 0.91 0.00 0.00 -5 V 8.05 4.69 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 0.53 0.00 0.00 0.93 0.00 0.00 -4 V 8.37 4.41 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 0.93 0.00 0.00 -3 A 7.95 4.57 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.45 4.43 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 -1 T 7.69 4.39 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 8 G 8.74 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 9 K 8.58 4.11 0.00 1.70 1.77 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.51 7.81 10 D 8.82 4.49 0.00 2.83 2.72 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 11 C 7.57 4.72 0.00 2.96 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 12 V 7.87 5.01 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 0.88 0.00 0.00 13 A 8.33 4.61 1.10 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 14 I 8.23 5.05 1.80 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 1.30 0.84 0.70 0.00 0.00 15 A 8.46 4.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.32 5.37 0.00 3.04 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.52 4.74 0.00 2.82 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 18 L 8.05 5.01 0.00 1.63 1.82 0.97 0.98 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 19 R 8.16 4.65 0.00 1.86 2.03 0.00 3.21 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 20 L 8.81 4.47 0.00 1.59 1.37 0.74 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.43 4.65 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 0.00 0.00 0.00 22 S 8.55 4.65 0.00 3.78 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 23 Q 8.65 3.63 0.00 2.24 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 24 S 8.80 4.16 0.00 3.97 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 25 L 7.85 4.07 0.00 1.74 1.74 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.58 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.55 4.21 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 0.77 0.00 0.00 0.96 0.00 0.00 28 S 7.70 4.72 0.00 3.84 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 29 N 8.85 5.00 0.00 2.85 2.86 0.00 0.00 5.87 7.13 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 30 K 8.09 4.59 0.00 1.69 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.59 4.62 0.00 3.16 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 32 E 8.21 4.03 0.00 1.60 1.59 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 2.22 2.24 0.00 33 K 8.34 4.23 0.00 1.61 1.95 0.00 1.73 0.00 0.00 1.92 0.00 0.00 3.00 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.51 7.81 34 I 6.97 4.69 1.72 0.00 0.00 0.83 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 0.78 1.00 0.00 0.00 35 F 9.29 4.99 0.00 2.76 2.68 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 36 H 7.40 4.84 0.00 1.97 1.90 0.00 5.85 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.82 4.72 0.00 2.72 2.87 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 39 G 8.25 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.84 4.63 0.00 3.34 3.41 0.00 5.52 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.33 4.20 1.77 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 0.66 0.00 0.00 0.68 0.00 0.00 42 F 9.23 5.05 0.00 3.15 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 43 L 9.46 5.29 0.00 2.05 1.80 1.11 1.51 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 44 G 9.53 4.54 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 0.00 0.00 0.00 45 I 8.87 5.18 2.11 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 1.69 1.18 1.04 0.00 0.00 46 T 8.81 4.54 4.32 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 1.29 0.00 0.00 47 G 8.77 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.82 4.15 0.00 2.01 1.76 0.98 1.34 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 49 A 10.20 4.19 1.11 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 0.00 0.00 0.00 0.00 0.00 50 T 8.04 3.81 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 1.29 0.00 0.00 51 D 8.16 4.44 0.00 3.09 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 52 V 7.90 3.66 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 1.35 0.00 0.00 1.21 0.00 0.00 53 T 8.35 3.80 4.48 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 1.26 0.00 0.00 54 T 7.97 3.78 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 55 L 8.13 3.35 0.00 1.53 1.54 0.82 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.74 4.33 0.00 1.52 2.39 0.00 0.00 6.86 7.72 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 57 E 8.01 3.96 0.00 2.14 1.95 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 2.31 2.40 0.00 58 M 7.80 3.72 0.00 1.42 1.61 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.10 0.00 59 F 7.84 4.30 0.00 2.87 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 60 R 7.94 3.98 0.00 2.24 2.16 0.00 3.20 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 61 Y 7.92 4.05 0.00 3.18 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 62 K 8.55 4.26 0.00 1.98 1.97 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.56 1.65 7.81 63 T 8.50 4.01 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 1.01 0.00 0.00 64 N 8.33 4.44 0.00 2.99 2.87 0.00 0.00 6.87 6.23 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 65 L 7.82 4.03 0.00 1.80 1.75 0.95 0.58 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 66 Y 8.29 4.00 0.00 3.18 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 67 K 8.29 4.55 0.00 2.16 1.99 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.55 7.81 68 L 7.81 4.02 0.00 1.83 1.70 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.59 4.14 0.00 1.61 1.76 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.62 7.81 70 E 8.32 3.90 0.00 1.61 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 1.59 1.47 0.00 71 E 8.04 3.88 0.00 2.09 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 2.23 2.19 0.00 72 R 7.15 4.55 0.00 1.97 2.00 0.00 2.82 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 73 A 8.43 4.41 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 74 I 8.20 3.71 1.08 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.23 0.65 0.00 0.00 75 E 8.32 4.63 0.00 2.05 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 2.40 2.38 0.00 76 P 0.00 4.35 0.00 2.19 2.18 0.00 3.65 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 2.17 2.23 0.00 77 E 8.17 3.98 0.00 2.07 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 2.42 2.48 0.00 78 T 7.86 3.86 4.32 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 1.24 0.00 0.00 79 F 8.52 4.00 0.00 3.01 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 80 T 8.02 3.67 4.39 0.00 0.00 0.00 0.00 0.00 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 81 Q 7.77 3.91 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 82 L 7.59 3.85 0.00 1.66 1.48 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.48 3.34 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 0.88 0.00 0.00 -0.47 0.00 0.00 84 S 8.00 4.07 0.00 3.94 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 85 S 8.29 4.17 0.00 4.09 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 86 S 8.15 4.17 0.00 4.21 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 87 L 8.31 4.24 0.00 1.88 1.76 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.27 3.83 0.00 3.16 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 89 E 7.96 4.00 0.00 2.08 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 0.00 2.28 2.33 0.00 90 R 7.57 4.43 0.00 1.71 1.67 0.00 2.89 0.00 0.00 2.82 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.15 0.00 91 R 7.21 3.18 0.00 0.67 0.97 0.00 2.65 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 0.50 0.00 92 F 7.17 4.93 0.00 3.00 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 93 G 7.51 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 94 P 0.00 4.03 0.00 1.83 1.81 0.00 3.57 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.80 0.00 95 Y 7.79 4.20 0.00 2.90 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 96 F 8.92 4.69 0.00 3.09 3.06 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 97 V 7.90 4.99 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 0.81 0.00 0.00 1.01 0.00 0.00 98 G 9.07 4.17 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 0.00 0.00 0.00 99 P 0.00 4.94 0.00 1.98 2.06 0.00 3.68 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 2.09 2.17 0.00 100 V 8.88 4.48 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 0.87 0.00 0.00 0.97 0.00 0.00 101 V 8.63 5.11 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 1.00 0.00 0.00 1.06 0.00 0.00 102 A 9.27 4.77 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 0.00 103 G 7.83 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.07 4.63 1.90 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 1.32 0.99 0.92 0.00 0.00 105 N 8.69 5.04 0.00 2.71 2.72 0.00 0.00 7.19 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.