NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9019 8.3549 109.7173 45.9561 0.0000 175.6833 2 H 4.2822 8.8762 120.4224 55.3004 29.3062 173.2315 3 H 4.4935 8.7061 116.3368 55.4949 29.1189 173.7936 4 H 4.7197 8.6073 121.6160 56.5930 31.0801 174.4803 5 H 4.3968 7.9818 114.4975 55.4895 26.3842 172.9438 6 H 4.6368 8.3380 126.6407 55.7034 29.3506 175.2588 7 H 4.3020 8.5801 124.7457 57.4696 28.6437 177.1261 8 L 3.9011 7.1552 121.9089 57.9217 41.2231 179.2137 9 E 3.6321 8.1373 117.6411 58.9706 29.1886 178.8899 10 A 4.0414 7.8506 120.4324 54.6951 18.5100 179.3937 11 E 3.9921 7.8957 116.6825 59.6102 29.7474 179.6932 12 V 3.4392 8.1328 112.7911 64.3288 31.7006 178.6128 13 E 3.8572 7.6708 118.0033 59.3020 29.4643 179.0782 14 E 3.8869 8.0007 118.7024 59.8242 29.7632 178.8794 15 T 4.0399 7.6164 115.4673 66.2486 68.5737 176.8127 16 L 3.9618 8.3377 123.0015 57.6532 41.8295 178.8797 17 K 3.9211 7.8515 119.2996 59.5845 32.5462 178.8254 18 R 4.0877 7.9493 115.8156 58.9919 28.9837 178.5947 19 L 4.1889 8.1524 120.3176 57.8306 41.4551 178.7742 20 Q 4.2598 7.8215 114.5460 57.1709 28.9677 177.3590 21 S 4.6531 7.8998 115.7408 58.3047 64.7398 174.7951 22 Q 4.3119 7.1591 120.8934 54.5505 27.0274 175.2757 23 K 4.1374 7.7256 126.4230 57.4091 33.7878 176.6059 24 G 4.0418 8.9832 110.6671 45.1576 0.0000 173.1915 25 V 4.3935 7.2762 118.4526 60.5661 32.7653 176.1761 26 Q 4.1858 9.1919 122.8105 58.2289 29.5281 176.6920 27 G 4.0346 7.4592 102.7536 45.5770 0.0000 172.0885 28 I 4.7301 8.1739 123.9701 59.1729 40.4728 174.4684 29 I 4.8926 9.2207 130.1635 59.4750 39.9950 174.2586 30 V 5.2536 8.6884 127.5877 59.2163 33.3762 175.0398 31 V 4.9235 8.2804 124.9968 60.6346 34.9384 174.6420 32 N 4.7272 9.2479 124.5911 53.3358 39.1956 176.4510 33 T 4.2043 9.0577 118.5203 67.0386 68.6346 175.7101 34 E 4.0269 8.0398 118.2903 57.3393 29.7256 177.3590 35 G 3.9526 8.4744 107.9507 45.2950 0.0000 173.5308 36 I 4.0742 7.5513 121.0599 58.7903 37.0217 173.5428 37 P 4.6444 0.0000 0.0000 62.6984 31.0893 176.3788 38 I 4.0439 8.2600 125.0576 62.8969 38.9640 175.9182 39 K 4.4019 7.7937 119.0425 55.9413 35.1608 173.9238 40 S 5.2175 8.6505 121.1624 57.5215 67.0037 174.2275 41 T 4.7109 8.5706 112.0709 61.8622 69.0588 173.6523 42 M 4.8691 7.9945 119.6448 53.8705 35.5809 175.9335 43 D 4.6153 8.3255 120.3232 53.8678 43.0927 177.3255 44 N 4.3080 8.7671 120.4947 56.0733 38.5801 175.6046 45 P 4.2152 0.0000 0.0000 66.5275 31.2076 178.3315 46 T 4.1878 7.7921 116.9785 65.6948 68.4526 176.5453 47 T 3.9831 8.2880 117.8499 67.0267 68.4074 176.8090 48 T 3.8676 8.3206 117.9705 66.6150 68.2327 176.4951 49 Q 3.8691 8.1561 120.0489 59.2902 28.7106 178.9787 50 Y 4.0382 7.7928 116.9832 60.9322 38.0293 177.9834 51 A 3.7347 8.5059 121.9708 55.1132 18.6193 179.1329 52 N 4.1991 8.3088 115.6813 56.9670 39.1057 176.9241 53 L 4.0379 7.5719 121.3700 58.1273 42.1285 178.7379 54 M 4.2242 8.3917 119.4446 58.4325 31.6784 178.3357 55 H 4.2218 7.9828 116.5271 58.7087 28.5188 177.3930 56 N 4.3248 7.9887 118.4301 56.6421 38.8742 176.8226 57 F 4.3756 8.6952 122.3865 61.4544 39.5984 177.2601 58 I 3.6995 8.2161 119.8432 64.4608 36.7822 178.3839 59 L 4.0208 7.8111 119.8291 57.6058 41.3326 179.5484 60 K 3.8910 7.6107 119.6845 59.2535 32.1285 178.6155 61 A 3.6785 7.9913 121.5181 55.0607 18.1780 179.3856 62 R 3.7875 8.4854 117.3206 59.9171 30.0718 178.9696 63 S 4.1237 7.7315 114.4426 61.8672 62.5861 176.7813 64 T 4.6169 8.2453 119.4659 66.0257 68.3091 176.4457 65 V 3.7277 7.9008 120.1552 66.2977 31.1422 178.4655 66 R 3.9731 7.8374 116.9127 58.9636 29.7865 178.8527 67 E 3.8188 8.3180 119.0400 59.2204 29.1313 179.2764 68 I 3.6446 7.4512 119.1362 62.2268 37.5525 175.8925 69 D 4.8748 7.0351 122.8545 53.5580 44.5407 176.3645 70 P 4.6159 0.0000 0.0000 62.9187 30.6252 177.7303 71 Q 4.1680 8.4206 120.6789 58.2528 28.8074 175.9310 72 N 5.1077 7.7741 113.5010 50.7928 40.4890 172.8304 73 D 4.7629 8.2429 117.6555 51.7356 44.5079 174.9174 74 L 3.9771 8.6047 126.3675 56.3136 42.4479 175.8666 75 T 4.3503 8.7365 120.3528 64.4892 70.9042 174.2422 76 F 4.7341 8.1260 117.2768 55.5714 42.7220 174.6524 77 L 4.8048 9.4225 126.2300 52.9578 43.4733 173.7655 78 R 4.8520 8.5786 120.7918 54.1484 31.6200 175.4626 79 I 4.4082 8.9540 126.1653 59.7206 39.0126 174.7138 80 R 4.9713 8.5970 126.8176 54.5688 31.6838 175.9234 81 S 4.7089 8.5959 117.5695 56.1720 66.2284 174.1948 82 K 3.9266 9.0454 118.5200 59.8826 31.9501 178.5853 83 K 4.1219 8.0962 118.0170 58.5735 32.7224 176.0141 84 N 5.1861 7.6432 114.9383 50.9604 41.6625 172.3685 85 E 4.8753 9.2075 120.6170 54.5148 32.2402 174.5638 86 I 4.7276 8.9425 128.7059 59.8889 39.6894 174.0695 87 M 4.6894 9.1121 128.9717 54.0339 33.8955 174.9067 88 V 4.7685 8.7509 126.3242 61.2801 34.4036 174.0471 89 A 4.7066 9.1742 131.9421 49.7861 20.4486 173.9293 90 P 4.1123 0.0000 0.0000 62.2575 32.0132 175.8946 91 D 4.6900 7.8317 124.3486 51.6899 43.3780 175.9938 92 K 3.8972 8.4621 121.6755 59.3990 32.3596 177.4050 93 D 4.6469 9.2475 115.1151 55.0668 44.9357 175.5290 94 Y 4.7054 8.3742 115.2023 56.9275 40.8073 174.7359 95 F 4.9368 8.9314 118.1535 56.1539 42.7632 174.8539 96 L 4.8426 9.0119 126.0094 53.5679 42.0110 175.0615 97 I 5.6890 8.4761 124.5763 58.7072 40.1954 175.1992 98 V 4.7775 8.2902 119.0278 59.6166 35.8496 174.3594 99 I 4.8405 8.8238 126.6186 60.1553 38.8808 175.0505 100 Q 4.8232 9.1230 126.0955 53.8768 32.6631 174.4146 101 N 4.8817 8.6439 117.7910 52.7790 39.2889 173.8625 102 P 4.2699 0.0000 0.0000 62.2635 29.5572 175.9337 103 T 4.0140 8.8232 123.1389 63.6720 69.2697 175.9293 *104 E 4.1468 8.5111 118.0821 56.3415 30.4450 176.8748 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 G 8.35 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 2 H 8.88 4.28 0.00 3.21 3.38 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 H 8.71 4.49 0.00 3.18 3.30 0.00 5.46 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.61 4.72 0.00 3.14 3.35 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 7.98 4.40 0.00 3.26 3.38 0.00 5.51 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.34 4.64 0.00 3.38 3.27 0.00 5.86 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.58 4.30 0.00 3.12 3.40 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.16 3.90 0.00 1.66 1.62 0.61 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.14 3.63 0.00 1.99 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 2.42 2.45 0.00 10 A 7.85 4.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.90 3.99 0.00 2.08 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 0.00 2.28 2.37 0.00 12 V 8.13 3.44 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 0.29 0.00 0.00 0.49 0.00 0.00 13 E 7.67 3.86 0.00 2.02 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 2.26 2.22 0.00 14 E 8.00 3.89 0.00 2.06 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 0.00 2.38 2.47 0.00 15 T 7.62 4.04 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 16 L 8.34 3.96 0.00 1.75 1.69 0.95 0.19 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 17 K 7.85 3.92 0.00 1.96 2.08 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.45 7.81 18 R 7.95 4.09 0.00 2.13 2.18 0.00 2.88 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.71 0.00 19 L 8.15 4.19 0.00 1.90 1.79 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 7.82 4.26 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 21 S 7.90 4.65 0.00 4.01 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 22 Q 7.16 4.31 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.55 2.32 0.00 23 K 7.73 4.14 0.00 1.74 1.74 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.43 7.81 24 G 8.98 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 25 V 7.28 4.39 2.28 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 0.86 0.00 0.00 1.00 0.00 0.00 26 Q 9.19 4.19 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 27 G 7.46 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 28 I 8.17 4.73 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.44 0.92 0.00 0.00 29 I 9.22 4.89 1.83 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 1.28 0.64 0.93 0.00 0.00 30 V 8.69 5.25 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 0.92 0.00 0.00 1.25 0.00 0.00 31 V 8.28 4.92 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 1.18 0.00 0.00 0.95 0.00 0.00 32 N 9.25 4.73 0.00 2.70 2.61 0.00 0.00 6.75 7.32 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 33 T 9.06 4.20 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 1.33 0.00 0.00 34 E 8.04 4.03 0.00 1.94 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 0.00 2.30 2.29 0.00 35 G 8.47 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 36 I 7.55 4.07 1.81 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 1.40 0.78 0.88 0.00 0.00 37 P 0.00 4.64 0.00 2.05 2.03 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 38 I 8.26 4.04 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.70 1.00 0.00 0.00 39 K 7.79 4.40 0.00 1.86 1.62 0.00 1.85 0.00 0.00 1.86 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.40 7.81 40 S 8.65 5.22 0.00 3.77 3.71 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 0.00 41 T 8.57 4.71 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 1.22 0.00 0.00 42 M 7.99 4.87 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 43 D 8.33 4.62 0.00 2.71 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 44 N 8.77 4.31 0.00 2.73 2.89 0.00 0.00 6.69 8.04 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 45 P 0.00 4.22 0.00 2.25 2.31 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 46 T 7.79 4.19 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 1.44 0.00 0.00 47 T 8.29 3.98 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 1.24 0.00 0.00 48 T 8.32 3.87 4.37 0.00 0.00 0.00 0.00 0.00 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 49 Q 8.16 3.87 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.59 0.00 50 Y 7.79 4.04 0.00 3.00 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 51 A 8.51 3.73 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.31 4.20 0.00 2.86 2.84 0.00 0.00 6.90 6.52 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 53 L 7.57 4.04 0.00 1.67 1.76 0.81 0.87 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 54 M 8.39 4.22 0.00 1.77 1.84 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 2.61 2.95 0.00 55 H 7.98 4.22 0.00 3.33 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.99 4.32 0.00 2.90 3.04 0.00 0.00 6.98 7.08 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 57 F 8.70 4.38 0.00 3.10 3.11 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 58 I 8.22 3.70 2.21 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.59 1.24 0.00 0.00 59 L 7.81 4.02 0.00 1.66 1.73 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.61 3.89 0.00 1.90 1.84 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.42 7.81 61 A 7.99 3.68 1.01 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 0.00 0.00 62 R 8.49 3.79 0.00 1.95 2.14 0.00 3.24 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 63 S 7.73 4.12 0.00 4.00 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 64 T 8.25 4.62 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 1.19 0.00 0.00 65 V 7.90 3.73 2.22 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 1.06 0.00 0.00 1.00 0.00 0.00 66 R 7.84 3.97 0.00 2.02 1.95 0.00 3.16 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 67 E 8.32 3.82 0.00 2.18 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 2.32 2.51 0.00 68 I 7.45 3.64 2.00 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 1.18 0.71 0.91 0.00 0.00 69 D 7.04 4.87 0.00 2.61 2.52 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 70 P 0.00 4.62 0.00 2.07 2.04 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 71 Q 8.42 4.17 0.00 2.13 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.61 2.29 0.00 72 N 7.77 5.11 0.00 2.79 2.77 0.00 0.00 5.71 8.06 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 73 D 8.24 4.76 0.00 2.55 2.49 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 74 L 8.60 3.98 0.00 1.60 1.56 0.92 0.91 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 75 T 8.74 4.35 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 76 F 8.13 4.73 0.00 2.84 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 77 L 9.42 4.80 0.00 1.77 1.76 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.58 4.85 0.00 1.89 2.03 0.00 3.01 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 79 I 8.95 4.41 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.84 0.94 0.00 0.00 80 R 8.60 4.97 0.00 1.69 1.86 0.00 3.15 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 81 S 8.60 4.71 0.00 3.84 3.83 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 82 K 9.05 3.93 0.00 1.77 1.94 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.40 7.81 83 K 8.10 4.12 0.00 1.72 1.84 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.43 7.81 84 N 7.64 5.19 0.00 2.93 2.87 0.00 0.00 6.51 7.67 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 85 E 9.21 4.88 0.00 2.00 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 2.19 2.25 0.00 86 I 8.94 4.73 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.65 0.81 0.00 0.00 87 M 9.11 4.69 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.69 0.00 88 V 8.75 4.77 2.37 0.00 0.00 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 0.00 0.00 0.99 0.00 0.00 89 A 9.17 4.71 0.74 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 0.00 0.00 90 P 0.00 4.11 0.00 1.85 2.11 0.00 3.61 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 2.04 2.23 0.00 91 D 7.83 4.69 0.00 2.40 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 92 K 8.46 3.90 0.00 1.69 1.81 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.36 7.81 93 D 9.25 4.65 0.00 2.66 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 94 Y 8.37 4.71 0.00 2.82 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 95 F 8.93 4.94 0.00 3.27 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 96 L 9.01 4.84 0.00 1.61 1.67 0.88 0.58 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 97 I 8.48 5.69 2.10 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 1.32 1.29 0.84 0.00 0.00 98 V 8.29 4.78 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 0.73 0.00 0.00 0.96 0.00 0.00 99 I 8.82 4.84 1.77 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.67 0.88 0.00 0.00 100 Q 9.12 4.82 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 101 N 8.64 4.88 0.00 2.63 2.76 0.00 0.00 7.32 7.98 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 0.00 102 P 0.00 4.27 0.00 2.05 2.01 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.33 0.00 103 T 8.82 4.01 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 1.20 0.00 0.00 *104 E 8.51 4.15 0.00 1.73 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.