NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 K 4.3286 8.1727 122.0539 56.2768 33.8697 173.8544 15 E 4.9751 8.8553 127.9813 53.4625 32.3223 173.0686 16 I 4.6289 8.9170 128.1687 59.0740 41.7558 173.4142 17 A 4.9329 8.5928 130.6246 51.3518 20.2742 176.6184 18 I 4.6901 8.6138 122.0574 59.1056 41.6504 175.2241 19 Q 4.3866 8.7558 125.1625 55.9057 29.2970 176.7940 20 E 3.8511 9.2009 123.1629 59.2285 29.6997 179.1170 21 K 3.9934 7.9485 116.0853 59.1495 32.9057 176.9250 22 D 4.7609 8.3037 119.1892 54.0858 41.0201 175.3075 23 L 5.2170 7.9659 119.3983 53.1644 45.0971 176.1377 24 T 4.4551 8.8527 119.8724 62.0716 70.2529 173.5182 25 L 4.4322 8.4048 126.9601 53.2648 43.4420 175.9664 26 Q 4.3695 8.3585 125.2502 54.3145 30.8881 173.9437 27 W 5.2010 8.4600 127.0550 54.6096 31.5704 176.0235 28 R 4.0414 9.1900 126.2608 57.7592 30.0924 177.0783 29 G 3.9637 9.3665 112.3514 45.6184 0.0000 175.2586 30 N 4.6692 8.7772 116.7752 53.8092 38.0906 174.9901 31 T 4.4410 7.8089 104.7472 60.8045 71.2557 175.2625 32 G 4.1761 8.1327 116.3097 44.9928 0.0000 173.9075 33 K 4.6958 8.6676 125.3075 56.4363 33.5810 175.7844 34 L 3.8589 9.0484 129.7383 55.1964 41.8392 176.4845 35 V 4.1224 8.7806 128.1532 65.0261 32.8741 175.6388 36 K 4.7765 7.2496 116.9408 55.8818 35.9443 174.7902 37 V 4.7090 8.5963 113.5900 59.5167 36.0549 174.6673 38 R 4.8340 8.5188 124.2333 54.1117 32.8629 174.7343 39 L 4.6127 8.4935 126.7871 54.4751 42.3443 177.4177 40 K 4.0424 9.1192 123.1344 56.7825 32.9164 177.9278 41 N 4.2764 8.9564 120.5762 57.1005 38.8348 176.8542 42 T 4.0439 8.0732 112.7295 66.8009 68.7662 175.5396 43 R 4.0036 8.1916 119.2158 59.4982 30.0946 178.1973 44 A 4.0254 8.1443 117.0186 53.2696 18.0929 177.1867 *46 E 4.3396 8.1352 117.7019 57.3952 30.7650 177.3036 *48 W 4.8022 8.0150 127.9282 57.1991 32.3826 176.8224 49 Y 3.7720 8.2015 113.8760 61.0445 37.3274 177.2239 50 N 4.5255 8.2273 114.5530 53.2411 39.0072 175.3384 51 K 3.8717 7.5369 115.6870 57.3255 30.3703 176.9800 52 Q 4.1551 8.5282 120.7177 58.5849 29.2940 176.1744 53 I 4.9477 7.6668 116.3273 59.2122 40.8873 175.1574 54 T 4.8473 9.3972 114.2284 59.0226 73.0089 174.6103 55 E 3.8518 8.4959 122.1505 59.7110 29.5567 178.5091 56 E 4.1520 8.1660 117.8694 57.8796 30.1635 177.0382 57 N 4.8954 8.0230 115.1150 52.7194 38.2374 176.3774 58 I 3.8791 7.8171 122.1037 64.4730 37.9799 176.9924 59 Q 4.4125 8.0135 115.5715 57.2201 28.8684 177.3889 60 E 4.2105 8.1671 119.9685 57.6877 29.7482 177.1611 61 I 4.1537 7.3307 120.5740 61.3699 37.8164 175.6441 62 T 4.6212 9.0557 114.8592 62.0287 71.1896 174.1578 63 T 5.1104 7.6086 118.5942 61.9728 73.4019 172.3931 64 L 4.8032 8.9369 126.2115 53.0207 44.3411 175.0732 65 N 5.1847 9.0771 123.7932 52.1017 40.1272 173.4415 66 I 4.5147 8.8686 128.9277 60.8799 38.7842 175.2150 67 I 5.0175 7.7760 127.5003 59.4223 40.0560 174.6918 68 K 4.2682 9.4194 124.1203 56.5342 36.3371 174.2631 69 N 4.2640 9.9643 122.0444 54.4986 36.2051 175.0067 70 G 3.9543 8.5101 101.7692 46.0453 0.0000 173.8344 71 K 4.7652 8.1936 118.9895 54.2404 35.2815 175.0026 72 S 5.2925 8.2064 113.5700 56.9782 66.2923 173.4263 73 L 4.6754 9.1082 123.8548 53.4700 45.0308 174.8368 74 A 4.8228 8.7276 128.8822 51.6217 19.6860 176.2962 75 L 4.7786 9.0676 122.0600 52.7302 45.6593 176.2953 76 E 4.5501 9.3764 123.9209 56.5309 30.7545 176.5046 77 V 4.6240 8.0995 115.5798 59.8764 35.2749 175.5519 78 Y 4.4781 8.8248 120.2533 56.3442 37.5349 175.1022 79 P 4.4328 0.0000 0.0000 65.4888 31.7473 178.8849 80 E 4.1383 8.2889 115.9499 58.1549 29.5595 177.4660 81 K 4.2468 7.9426 116.7669 56.6613 33.0669 177.0609 82 S 4.6189 7.7120 116.5622 58.7687 63.1256 173.8559 83 I 4.7219 8.3483 116.6784 59.8221 41.3259 173.2574 84 Y 4.6799 8.6740 120.9320 57.2021 39.1376 175.1551 85 V 4.6339 8.5997 123.4250 60.6722 34.8957 174.9816 86 K 4.7596 8.9219 125.3218 57.1827 33.6538 174.3369 87 P 4.2756 0.0000 0.0000 63.0085 31.5731 176.6684 *90 G 3.7339 9.0411 108.8158 45.8545 0.0000 172.6817 91 R 4.3834 8.4936 114.2964 56.7563 31.9787 171.9529 92 I 4.4828 7.1134 116.3819 58.6430 40.3597 174.9522 93 N 4.8266 8.2823 118.9342 53.6364 39.9086 174.4769 94 V 4.7345 8.7453 114.7592 58.6368 35.4025 173.6553 95 P 3.7862 0.0000 0.0000 62.5355 32.7391 175.2027 96 V 4.5987 8.0802 121.6184 61.0408 34.9965 174.0507 97 F 5.0988 8.8390 125.4480 55.6591 42.6711 173.9541 98 F 4.9006 8.9747 120.9545 56.0276 40.9474 174.8392 99 I 4.2311 8.5469 125.5581 60.9941 37.3127 175.6030 100 K 3.6612 8.7884 128.7488 58.4842 33.1047 177.3410 101 T 3.9593 7.6736 116.0964 63.1251 68.8348 172.5159 102 P 4.5158 0.0000 0.0000 62.6036 32.2563 175.8224 103 I 4.6703 8.3874 123.4117 60.0402 41.7472 173.1737 104 N 5.6001 8.8647 125.6503 51.5858 41.4315 175.8194 105 R 2.5100 8.3820 120.2765 58.9335 29.7521 179.1325 106 G 3.4887 7.7769 105.0225 47.8983 0.0000 175.7862 107 V 3.5889 7.7187 120.8739 65.2237 31.6382 177.5154 108 F 4.1726 8.3570 120.5659 61.5820 39.2154 176.9737 109 E 4.1283 8.6164 118.2928 59.3907 29.0002 179.1312 110 E 3.9010 8.0702 117.7057 59.5008 29.6657 178.9180 111 I 3.5141 7.5819 118.5603 64.6195 37.2436 178.0729 112 F 4.3521 7.6376 116.1552 57.4035 39.0686 176.1886 113 G 4.2316 8.5136 112.0498 45.9660 0.0000 173.2333 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 14 K 8.17 4.33 0.00 1.87 1.99 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.46 7.81 15 E 8.86 4.98 0.00 2.03 1.75 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 2.13 2.46 0.00 16 I 8.92 4.63 1.84 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 1.12 1.36 0.73 0.00 0.00 17 A 8.59 4.93 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 18 I 8.61 4.69 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.08 nan 0.00 0.00 19 Q 8.76 4.39 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 20 E 9.20 3.85 0.00 1.58 1.83 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 2.37 2.40 0.00 21 K 7.95 3.99 0.00 1.90 1.92 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.46 7.81 22 D 8.30 4.76 0.00 2.87 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 23 L 7.97 5.22 0.00 1.52 1.47 0.88 1.05 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 24 T 8.85 4.46 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 1.17 0.00 0.00 25 L 8.40 4.43 0.00 1.35 0.75 0.72 0.70 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 26 Q 8.36 4.37 0.00 1.97 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 27 W 8.46 5.20 0.00 3.33 3.08 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 0.00 0.00 0.00 28 R 9.19 4.04 0.00 1.88 1.92 0.00 3.23 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 29 G 9.37 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 30 N 8.78 4.67 0.00 2.88 3.02 0.00 0.00 6.67 7.09 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 31 T 7.81 4.44 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 1.16 0.00 0.00 32 G 8.13 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 0.00 0.00 0.00 0.00 33 K 8.67 4.70 0.00 1.95 1.78 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.54 7.81 34 L 9.05 3.86 0.00 0.78 1.33 -0.49 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.78 4.12 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 1.00 0.00 0.00 0.96 0.00 0.00 36 K 7.25 4.78 0.00 1.21 1.03 0.00 0.93 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.18 1.19 7.81 37 V 8.60 4.71 1.98 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 0.49 0.00 0.00 0.96 0.00 0.00 38 R 8.52 4.83 0.00 1.71 1.74 0.00 3.01 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 39 L 8.49 4.61 0.00 1.54 1.59 1.03 0.97 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 40 K 9.12 4.04 0.00 1.67 1.74 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.51 7.81 41 N 8.96 4.28 0.00 2.71 2.88 0.00 0.00 6.98 7.54 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 42 T 8.07 4.04 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 43 R 8.19 4.00 0.00 1.77 1.99 0.00 3.36 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 44 A 8.14 4.03 1.39 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 0.00 0.00 0.00 *46 E 8.14 4.34 0.00 2.26 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 0.00 2.37 2.38 0.00 *48 W 8.02 4.80 0.00 3.45 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 49 Y 8.20 3.77 0.00 3.29 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 50 N 8.23 4.53 0.00 2.79 2.89 0.00 0.00 7.11 7.64 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 51 K 7.54 3.87 0.00 1.90 1.86 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.44 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.41 7.81 52 Q 8.53 4.16 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.68 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 53 I 7.67 4.95 2.05 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.90 1.13 0.00 0.00 54 T 9.40 4.85 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 1.27 0.00 0.00 55 E 8.50 3.85 0.00 1.61 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 2.19 2.11 0.00 56 E 8.17 4.15 0.00 1.98 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 0.00 2.29 2.44 0.00 57 N 8.02 4.90 0.00 3.08 3.05 0.00 0.00 6.46 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 58 I 7.82 3.88 2.28 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 1.12 0.00 0.00 59 Q 8.01 4.41 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.89 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 60 E 8.17 4.21 0.00 2.08 2.05 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 2.39 2.53 0.00 61 I 7.33 4.15 2.20 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 0.73 0.00 0.00 62 T 9.06 4.62 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 1.23 0.00 0.00 63 T 7.61 5.11 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 1.22 0.00 0.00 64 L 8.94 4.80 0.00 1.40 1.38 0.59 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 65 N 9.08 5.18 0.00 2.96 2.69 0.00 0.00 6.84 7.50 0.00 0.00 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 I 8.87 4.51 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.60 0.74 0.00 0.00 67 I 7.78 5.02 1.84 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 1.22 0.91 0.91 0.00 0.00 68 K 9.42 4.27 0.00 1.37 0.90 0.00 1.86 0.00 0.00 1.46 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.24 7.81 69 N 9.96 4.26 0.00 3.00 2.91 0.00 0.00 6.95 7.65 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 70 G 8.51 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 71 K 8.19 4.77 0.00 1.99 1.59 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.41 7.81 72 S 8.21 5.29 0.00 4.08 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 73 L 9.11 4.68 0.00 1.78 1.82 0.92 1.24 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 74 A 8.73 4.82 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 75 L 9.07 4.78 0.00 1.48 1.51 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 76 E 9.38 4.55 0.00 1.77 1.75 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 2.28 2.25 0.00 77 V 8.10 4.62 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 1.04 0.00 0.00 78 Y 8.82 4.48 0.00 3.02 3.08 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 0.00 0.00 0.00 79 P 0.00 4.43 0.00 2.25 2.45 0.00 3.70 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 80 E 8.29 4.14 0.00 1.93 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 0.00 2.34 2.45 0.00 81 K 7.94 4.25 0.00 2.01 1.39 0.00 1.39 0.00 0.00 1.10 0.00 0.00 2.55 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.13 1.28 7.81 82 S 7.71 4.62 0.00 3.75 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 83 I 8.35 4.72 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.96 0.95 0.00 0.00 84 Y 8.67 4.68 0.00 2.82 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 85 V 8.60 4.63 2.03 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 1.01 0.00 0.00 0.91 0.00 0.00 86 K 8.92 4.76 0.00 1.78 1.84 0.00 1.17 0.00 0.00 1.18 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.26 7.81 87 P 0.00 4.28 0.00 2.00 1.82 0.00 3.51 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 1.84 2.00 0.00 *90 G 9.04 3.73 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 0.00 0.00 0.00 91 R 8.49 4.38 0.00 1.80 1.79 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.17 0.00 92 I 7.11 4.48 1.47 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.30 0.54 0.00 0.00 93 N 8.28 4.83 0.00 2.75 2.97 0.00 0.00 6.60 7.68 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 94 V 8.75 4.73 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 0.81 0.00 0.00 0.90 0.00 0.00 95 P 0.00 3.79 0.00 1.68 1.38 0.00 3.52 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 1.98 1.83 0.00 96 V 8.08 4.60 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 0.46 0.00 0.00 0.74 0.00 0.00 97 F 8.84 5.10 0.00 2.96 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 98 F 8.97 4.90 0.00 3.19 3.23 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 99 I 8.55 4.23 2.02 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 0.99 0.60 0.91 0.00 0.00 100 K 8.79 3.66 0.00 0.79 1.42 0.00 1.71 0.00 0.00 1.28 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.15 0.97 7.81 101 T 7.67 3.96 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 0.00 102 P 0.00 4.52 0.00 1.98 2.05 0.00 3.71 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 2.12 0.00 103 I 8.39 4.67 2.02 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.21 1.10 0.00 0.00 104 N 8.86 5.60 0.00 2.81 2.73 0.00 0.00 6.77 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 0.00 105 R 8.38 2.51 0.00 0.73 1.49 0.00 2.36 0.00 0.00 2.75 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 106 G 7.78 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 0.00 0.00 0.00 107 V 7.72 3.59 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 1.04 0.00 0.00 0.94 0.00 0.00 108 F 8.36 4.17 0.00 3.60 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 0.00 109 E 8.62 4.13 0.00 2.16 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 0.00 2.49 2.44 0.00 110 E 8.07 3.90 0.00 2.02 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 2.44 2.47 0.00 111 I 7.58 3.51 1.13 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.42 -0.12 0.00 0.00 112 F 7.64 4.35 0.00 2.88 3.03 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 0.00 113 G 8.51 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 * Residues marked with a * may have inaccurate shift predictions.