NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 D 4.6829 8.2227 120.3318 52.9378 40.0198 175.7051 13 V 3.7236 8.7121 125.2689 64.4846 31.6857 174.5239 14 S 4.3692 7.3428 113.5396 59.1818 64.4825 173.1549 15 G 3.9486 8.9996 109.0904 44.4171 0.0000 172.2366 16 T 4.8405 8.0848 117.6653 62.5239 69.8872 174.5179 17 W 5.1463 9.2553 124.6067 55.2255 34.4438 173.4853 18 Y 4.9189 9.1970 118.3084 56.1163 41.2895 175.1063 19 L 4.6289 8.7966 125.9106 54.9577 41.7318 176.0625 20 K 4.4900 9.3017 126.7735 57.6062 33.3535 176.8245 21 A 4.7201 7.5402 119.4649 51.4346 22.4258 174.9434 22 M 5.4098 8.1358 114.5376 54.5487 34.8333 174.2960 23 T 4.8184 8.9194 112.3304 61.9328 69.9779 174.1986 24 V 4.5529 8.5233 117.3104 59.7787 34.0779 174.9761 25 D 4.8102 8.6950 123.0794 53.1983 42.7082 177.0081 26 R 4.4947 7.8603 122.0728 52.7068 28.5689 175.3068 27 E 5.0425 7.6269 127.4038 57.1659 31.9222 177.3770 *31 M 4.1446 7.9984 118.0444 55.3784 32.6453 172.6861 32 N 5.0362 8.6556 124.7588 51.1469 42.0552 173.0398 33 L 4.2783 8.6049 128.3253 55.5095 42.1339 175.7447 34 E 4.4640 9.1694 126.7466 58.2939 30.8480 176.3099 35 S 4.9421 7.6807 111.6310 57.2848 66.3433 173.3006 36 V 5.0225 8.6206 122.4736 60.3521 34.8574 175.0323 37 T 5.6720 8.2658 113.7537 59.2326 70.6999 172.3878 38 P 4.2603 0.0000 0.0000 62.9235 32.4483 175.5605 39 M 4.6919 8.8809 121.7182 54.2696 34.5925 174.5520 40 T 4.9533 9.0504 123.1366 61.9887 71.0341 173.3523 41 L 5.0122 9.4668 127.6448 53.3930 44.1230 175.5424 42 T 4.9281 8.7300 121.9314 61.6812 71.0674 173.7665 43 T 4.5160 8.5113 117.5441 61.3559 69.7972 175.0870 44 L 4.4133 8.6880 127.8483 53.2464 43.4188 176.2683 45 E 4.0106 8.7000 116.5328 60.2810 29.3377 178.8539 46 G 3.8791 9.3550 107.6812 45.0942 0.0000 174.0796 47 G 3.9287 8.0024 107.1716 45.0067 0.0000 173.8202 48 N 4.9370 7.8285 117.1391 52.6049 40.5823 173.7716 49 L 4.9453 8.6654 118.8694 53.0292 46.3097 175.4580 50 E 5.0512 9.0657 122.8205 54.3218 32.5382 174.1435 51 A 5.0211 8.8951 129.0618 49.9434 21.8365 174.9250 52 K 5.0641 8.7842 123.9313 54.5927 35.6863 175.3177 53 V 4.6352 8.6383 124.4775 61.1126 35.2720 172.1956 54 T 4.9899 8.6750 119.9486 62.2622 71.0124 173.3299 55 M 5.0760 9.0723 125.6332 53.4481 35.6138 174.9466 56 L 4.7469 9.0054 126.5180 54.2992 42.7846 174.6599 57 I 4.6722 8.5487 127.4788 59.3116 39.2171 176.4532 58 S 4.0509 9.5698 126.1557 59.5275 60.8505 172.7551 59 G 4.1206 8.6778 108.1841 45.0109 0.0000 174.0957 60 R 4.5031 7.5281 117.6172 54.4245 31.9216 174.7673 61 C 4.9010 8.6420 119.6632 56.6338 38.3036 172.8069 62 Q 4.5175 9.1420 127.4211 54.3528 30.3838 174.3250 63 E 4.6030 8.7852 127.1412 55.8666 30.3075 176.1662 64 V 4.3233 9.0311 125.7765 61.3317 33.8920 174.7252 65 K 5.0491 8.3751 127.1525 55.0489 35.1612 174.8060 66 A 4.6869 9.1624 128.9931 50.0468 22.5180 174.7474 67 V 4.4321 8.4178 121.8935 61.2981 33.0723 175.3718 68 L 4.6626 9.2028 130.9493 53.7014 42.7747 175.9087 69 E 4.9413 9.1782 125.4905 54.4740 30.6639 176.8954 70 K 4.0506 8.8513 126.0901 56.8652 33.3745 175.1584 71 T 4.7044 7.5382 112.9728 59.9215 71.6848 173.3015 72 D 4.3147 8.8120 119.8042 56.2367 41.2921 176.1031 73 E 4.4078 7.6261 120.6057 53.4156 30.1420 173.3547 74 P 4.3725 0.0000 0.0000 64.4289 31.8944 176.9779 75 G 4.1166 9.0187 110.8445 44.9292 0.0000 172.0708 76 K 4.7603 7.4782 121.1407 54.9395 33.7194 174.9818 77 Y 5.0261 9.0255 124.1020 56.4912 42.8942 173.9413 78 T 5.2319 8.6802 109.8471 60.5298 72.6643 172.2952 79 A 4.6891 8.9951 121.4948 50.9356 23.1530 175.4437 80 D 4.0710 9.3268 116.5009 55.6251 39.9654 173.8795 81 G 3.9506 8.6652 101.7639 46.9009 0.0000 174.2577 82 G 3.8649 8.1069 102.8961 45.6992 0.0000 173.9893 83 K 4.1080 7.7307 120.7339 57.7638 32.7099 175.3896 84 H 5.0337 8.1153 118.1866 55.1461 32.9885 171.8357 85 V 4.7574 8.7093 125.9152 60.9880 34.2665 174.1598 86 A 4.7487 8.8882 128.1121 50.2101 23.1153 174.2225 87 Y 5.1541 8.7935 117.5071 56.2094 41.4976 174.8012 88 I 5.1220 9.2350 125.9235 59.6778 39.3669 174.9596 89 I 4.7565 8.5226 121.3462 58.6033 40.2713 175.2743 90 R 3.7462 8.7482 125.5641 56.4836 30.5880 175.8989 91 S 4.5924 8.2239 120.5872 57.8004 62.9403 173.8654 92 H 4.2484 9.3723 124.5983 58.3137 30.2216 175.6095 93 V 3.9650 7.7939 120.3744 60.6041 32.2351 174.8889 94 K 3.7905 8.5965 127.8776 58.4403 32.5134 175.4148 95 D 4.6155 8.9224 123.0323 55.7139 38.4035 172.7061 96 H 5.7673 7.7871 113.3844 54.5646 33.5365 172.3109 97 Y 5.2085 9.3320 117.8711 56.4832 42.6578 174.1516 98 I 5.0941 8.9700 123.8094 59.7657 39.7472 174.2537 99 F 5.4240 9.8345 129.8092 56.6018 41.8447 173.4584 100 Y 5.4170 8.3871 126.7556 56.0451 42.3153 174.1029 101 S 4.4528 7.2871 117.7932 57.0098 66.9101 172.8092 102 E 4.9066 8.3448 120.8797 54.9132 33.1863 176.1387 103 G 3.9868 8.2987 109.9595 45.3660 0.0000 171.5017 104 E 5.2188 8.4253 119.5035 53.0694 32.9075 175.6410 *108 K 4.1510 8.1517 119.6182 55.1455 33.2228 173.9689 109 P 4.7104 0.0000 0.0000 62.9688 32.1968 176.0352 110 V 4.7706 8.9239 119.9455 60.6376 35.0031 173.6523 111 R 5.4536 7.7966 117.5246 55.7989 32.5491 173.8370 112 G 4.2643 8.1685 106.1167 45.9432 0.0000 171.7405 113 V 5.3010 8.5589 119.9719 60.9817 34.4442 174.5608 114 K 5.4080 9.9069 126.1297 54.7013 36.6395 174.6560 115 L 5.3111 9.0847 126.1066 53.6223 44.2434 175.5380 116 V 5.6835 8.3992 118.6313 59.0052 35.8150 174.8266 117 G 5.1437 8.8045 109.0567 45.2580 0.0000 173.7626 118 R 3.6863 8.6013 119.3485 57.8324 30.8100 176.7306 119 D 4.7165 7.7897 118.2985 51.2031 42.8261 174.2002 120 P 4.0125 0.0000 0.0000 65.0819 31.4437 176.9768 121 K 3.9361 7.7882 119.7439 55.9159 32.5714 176.0265 122 N 4.2892 8.6254 123.0148 53.3871 39.0248 174.5903 123 N 4.8287 8.4854 120.8392 51.4646 41.1191 174.7074 124 L 3.9983 8.4271 129.2977 57.8569 41.6632 179.2932 125 E 4.0524 8.2808 117.9817 59.0318 29.4425 178.9445 126 A 4.0053 8.2327 121.1797 54.8852 18.3858 179.4128 127 L 4.0230 8.0789 119.0808 58.2100 42.1075 178.8567 128 E 3.9944 8.3827 119.4847 59.2033 29.5544 178.3408 129 D 4.3435 7.9559 118.1004 57.2296 41.2871 177.9438 130 F 4.1614 8.7881 121.7199 61.3739 39.4026 176.7590 131 E 3.8443 8.8625 119.3627 59.0122 29.4001 178.7239 132 K 3.9207 8.0499 119.7581 59.2114 32.2540 178.7815 133 A 3.8595 7.8765 121.0415 54.9661 18.2975 179.4309 134 A 3.8310 7.8172 119.5392 55.0267 18.3257 180.1635 135 G 3.4311 7.9684 104.0621 47.9523 0.0000 175.9029 136 A 3.9787 7.6896 122.2037 54.3878 18.4393 178.4639 137 R 3.8118 7.5861 113.9523 56.0789 30.3785 176.8323 138 G 3.8134 7.8443 106.1262 46.7881 0.0000 174.2107 139 L 4.7803 8.2525 117.1479 53.8989 42.6386 178.9825 140 S 4.1590 8.2541 115.8608 60.9555 62.7824 174.9851 141 T 4.3427 7.6771 108.6692 61.4803 69.2941 174.6480 142 E 4.2614 7.7720 122.1055 56.1375 30.3151 176.6990 143 S 4.5065 8.4302 116.2709 58.8849 64.3969 173.2500 144 I 5.0393 8.2841 121.9689 59.4886 40.3120 174.6163 145 L 4.5921 9.0280 128.7685 53.4957 44.5708 175.2839 146 I 4.3714 8.3506 128.0981 58.4169 36.8333 173.4486 147 P 4.2977 0.0000 0.0000 62.6563 31.9518 176.6344 148 R 4.1224 8.4271 120.7723 56.6116 31.2183 174.9973 149 Q 5.0816 8.6124 125.0486 55.0187 30.4299 175.0035 150 S 4.6721 8.9394 116.9781 56.6277 65.7518 174.5677 151 E 4.0415 9.0553 126.3802 58.5530 29.7963 175.9458 152 T 4.6997 7.4938 106.3816 60.1427 72.1157 172.7984 153 C 4.9585 8.6140 120.7901 54.8378 45.5743 173.5445 154 S 4.2871 8.5291 121.7160 58.8007 63.3323 173.7491 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 12 D 8.22 4.68 0.00 2.97 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 13 V 8.71 3.72 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 0.33 0.00 0.00 0.91 0.00 0.00 14 S 7.34 4.37 0.00 4.04 3.86 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 0.00 0.00 0.00 15 G 9.00 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 16 T 8.08 4.84 4.07 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 0.00 0.00 0.00 0.76 0.00 0.00 17 W 9.26 5.15 0.00 3.09 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 18 Y 9.20 4.92 0.00 2.97 2.86 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 0.00 0.00 0.00 19 L 8.80 4.63 0.00 1.65 1.65 1.02 0.62 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 20 K 9.30 4.49 0.00 1.65 1.85 0.00 1.97 0.00 0.00 1.97 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.63 7.81 21 A 7.54 4.72 0.46 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 22 M 8.14 5.41 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.64 0.00 23 T 8.92 4.82 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 1.33 0.00 0.00 24 V 8.52 4.55 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 0.78 0.00 0.00 0.97 0.00 0.00 25 D 8.70 4.81 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.86 4.49 0.00 1.95 1.95 0.00 3.17 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 27 E 7.63 5.04 0.00 1.93 1.92 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 2.05 2.11 0.00 *31 M 8.00 4.14 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 32 N 8.66 5.04 0.00 2.82 2.62 0.00 0.00 6.64 6.20 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 33 L 8.60 4.28 0.00 1.69 1.59 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 34 E 9.17 4.46 0.00 2.00 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 2.28 2.42 0.00 35 S 7.68 4.94 0.00 3.86 3.65 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 36 V 8.62 5.02 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 0.74 0.00 0.00 0.94 0.00 0.00 37 T 8.27 5.67 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 1.25 0.00 0.00 38 P 0.00 4.26 0.00 1.83 1.65 0.00 3.63 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 39 M 8.88 4.69 0.00 2.11 1.83 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 40 T 9.05 4.95 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 1.20 0.00 0.00 41 L 9.47 5.01 0.00 1.84 1.59 0.23 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.73 4.93 4.22 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 0.00 0.00 0.00 1.20 0.00 0.00 43 T 8.51 4.52 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 44 L 8.69 4.41 0.00 1.61 1.68 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.70 4.01 0.00 2.19 2.20 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 2.37 2.38 0.00 46 G 9.35 3.88 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 0.00 0.00 0.00 47 G 8.00 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 0.00 0.00 0.00 48 N 7.83 4.94 0.00 2.72 2.78 0.00 0.00 6.80 6.74 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 49 L 8.67 4.95 0.00 1.31 1.29 0.51 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.07 5.05 0.00 1.97 1.72 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 2.23 2.18 0.00 51 A 8.90 5.02 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 52 K 8.78 5.06 0.00 1.74 1.57 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.42 7.81 53 V 8.64 4.64 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 0.55 0.00 0.00 0.97 0.00 0.00 54 T 8.67 4.99 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 1.20 0.00 0.00 55 M 9.07 5.08 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 56 L 9.01 4.75 0.00 1.76 1.80 0.92 0.90 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 57 I 8.55 4.67 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 1.23 0.95 0.92 0.00 0.00 58 S 9.57 4.05 0.00 4.01 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 59 G 8.68 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.53 4.50 0.00 1.87 1.82 0.00 3.12 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 61 C 8.64 4.90 0.00 2.85 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 62 Q 9.14 4.52 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 63 E 8.79 4.60 0.00 1.88 1.87 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 2.28 2.29 0.00 64 V 9.03 4.32 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 0.86 0.00 0.00 0.90 0.00 0.00 65 K 8.38 5.05 0.00 1.71 1.58 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.40 7.81 66 A 9.16 4.69 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 67 V 8.42 4.43 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 0.84 0.00 0.00 0.91 0.00 0.00 68 L 9.20 4.66 0.00 1.39 1.48 0.62 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 69 E 9.18 4.94 0.00 1.93 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 0.00 2.46 2.12 0.00 70 K 8.85 4.05 0.00 1.76 1.66 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.11 7.81 71 T 7.54 4.70 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 1.14 0.00 0.00 72 D 8.81 4.31 0.00 2.66 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 73 E 7.63 4.41 0.00 2.01 1.80 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 2.28 2.29 0.00 74 P 0.00 4.37 0.00 2.10 2.01 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 75 G 9.02 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.48 4.76 0.00 1.77 1.75 0.00 2.01 0.00 0.00 1.64 0.00 0.00 2.61 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.08 0.71 7.81 77 Y 9.03 5.03 0.00 2.83 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 78 T 8.68 5.23 4.22 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 0.00 0.00 0.00 1.14 0.00 0.00 79 A 9.00 4.69 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 80 D 9.33 4.07 0.00 2.83 2.65 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 81 G 8.67 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 82 G 8.11 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.73 4.11 0.00 1.81 1.87 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.38 7.81 84 H 8.12 5.03 0.00 3.23 3.28 0.00 5.78 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.71 4.76 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 0.72 0.00 0.00 0.86 0.00 0.00 86 A 8.89 4.75 0.82 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 0.00 0.00 87 Y 8.79 5.15 0.00 2.96 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 88 I 9.24 5.12 1.98 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.70 0.80 0.00 0.00 89 I 8.52 4.76 1.96 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 1.23 1.04 1.01 0.00 0.00 90 R 8.75 3.75 0.00 1.89 1.83 0.00 3.36 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.96 0.00 91 S 8.22 4.59 0.00 4.00 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 92 H 9.37 4.25 0.00 3.14 3.51 0.00 5.81 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.79 3.97 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 0.95 0.00 0.00 0.90 0.00 0.00 94 K 8.60 3.79 0.00 1.74 1.72 0.00 1.95 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.49 7.81 95 D 8.92 4.62 0.00 2.91 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.79 5.77 0.00 3.39 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.33 5.21 0.00 2.74 2.74 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 98 I 8.97 5.09 2.01 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.07 1.05 0.00 0.00 99 F 9.83 5.42 0.00 3.06 3.07 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 0.00 0.00 0.00 0.00 100 Y 8.39 5.42 0.00 3.04 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 0.00 101 S 7.29 4.45 0.00 3.62 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 0.00 102 E 8.34 4.91 0.00 1.79 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 2.25 2.21 0.00 103 G 8.30 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 0.00 104 E 8.43 5.22 0.00 1.88 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 2.18 2.45 0.00 *108 K 8.15 4.15 0.00 1.89 1.89 0.00 1.66 0.00 0.00 2.30 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.44 7.81 109 P 0.00 4.71 0.00 2.19 2.06 0.00 3.76 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 2.00 1.96 0.00 110 V 8.92 4.77 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 0.98 0.00 0.00 1.01 0.00 0.00 111 R 7.80 5.45 0.00 1.90 1.88 0.00 2.89 0.00 0.00 3.97 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 112 G 8.17 4.26 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 0.00 113 V 8.56 5.30 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 0.88 0.00 0.00 0.99 0.00 0.00 114 K 9.91 5.41 0.00 1.93 1.76 0.00 1.71 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.66 7.81 115 L 9.08 5.31 0.00 1.77 1.43 1.12 0.72 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 0.00 116 V 8.40 5.68 2.30 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 0.78 0.00 0.00 0.95 0.00 0.00 117 G 8.80 5.14 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 0.00 118 R 8.60 3.69 0.00 1.54 1.76 0.00 2.71 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.31 0.00 119 D 7.79 4.72 0.00 2.50 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.01 0.00 1.85 0.96 0.00 3.42 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.39 0.00 121 K 7.79 3.94 0.00 1.67 1.86 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.37 7.81 122 N 8.63 4.29 0.00 2.73 2.73 0.00 0.00 6.69 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 0.00 123 N 8.49 4.83 0.00 2.74 2.61 0.00 0.00 7.22 6.66 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 0.00 124 L 8.43 4.00 0.00 1.73 1.71 0.92 0.95 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 0.00 125 E 8.28 4.05 0.00 2.13 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 2.41 2.44 0.00 126 A 8.23 4.01 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 0.00 127 L 8.08 4.02 0.00 1.85 1.84 0.76 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.38 3.99 0.00 2.25 2.15 0.00 0.00 0.00 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 2.34 0.00 129 D 7.96 4.34 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 0.00 130 F 8.79 4.16 0.00 3.20 3.30 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 0.00 131 E 8.86 3.84 0.00 2.39 2.12 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 2.32 2.41 0.00 132 K 8.05 3.92 0.00 1.98 1.94 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.58 7.81 133 A 7.88 3.86 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 0.00 134 A 7.82 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 7.97 3.43 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 0.00 136 A 7.69 3.98 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 0.00 137 R 7.59 3.81 0.00 1.55 1.45 0.00 2.21 0.00 0.00 2.64 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.12 0.00 138 G 7.84 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 0.00 0.00 0.00 139 L 8.25 4.78 0.00 1.58 1.62 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.25 4.16 0.00 3.95 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 0.00 141 T 7.68 4.34 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 0.00 142 E 7.77 4.26 0.00 2.19 2.12 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 2.37 2.46 0.00 143 S 8.43 4.51 0.00 3.82 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 0.00 144 I 8.28 5.04 1.95 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.74 0.96 0.00 0.00 145 L 9.03 4.59 0.00 1.74 1.51 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.35 4.37 1.84 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 1.30 0.68 0.99 0.00 0.00 147 P 0.00 4.30 0.00 2.19 2.08 0.00 3.89 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 2.11 1.98 0.00 148 R 8.43 4.12 0.00 1.92 2.00 0.00 3.16 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 149 Q 8.61 5.08 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.52 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 150 S 8.94 4.67 0.00 3.85 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 0.00 151 E 9.06 4.04 0.00 1.97 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 0.00 2.31 2.38 0.00 152 T 7.49 4.70 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 1.22 0.00 0.00 153 C 8.61 4.96 0.00 2.91 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 0.00 154 S 8.53 4.29 0.00 3.84 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 * Residues marked with a * may have inaccurate shift predictions.