NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7600 8.3431 109.7361 45.3148 0.0000 177.3326 *2 G 3.7326 8.8070 108.5844 43.8573 0.0000 172.4910 3 K 3.7647 8.2878 122.1212 59.0607 32.2149 179.1669 4 R 3.6889 7.7511 118.4562 59.6406 30.0088 178.1183 5 D 4.2655 7.8896 118.0252 57.3655 40.8454 178.3041 6 D 4.2149 8.0758 119.4121 57.1660 40.7258 178.8756 7 L 3.2674 7.9372 119.6894 57.6663 41.5389 179.5761 8 I 3.3716 7.2880 119.2989 64.1884 36.9586 178.3340 9 A 3.8652 7.9113 121.6424 55.1434 18.1721 179.5108 10 Q 3.8190 7.8776 118.0239 59.3869 29.0298 177.9102 11 Y 4.2980 7.8188 117.9670 61.1669 37.9308 178.5931 12 A 3.8543 8.1426 121.6836 55.0819 18.4898 179.1613 13 D 4.2384 8.2236 116.5602 57.5442 41.3413 178.0466 14 D 4.4296 8.5488 119.7600 57.5014 40.9610 178.8692 15 L 3.8179 7.9546 119.3590 57.7217 41.6812 179.7322 16 R 3.8802 8.0708 118.4015 59.3739 29.9677 177.7677 17 N 4.7263 8.5173 113.8088 53.8767 39.1406 176.6451 18 K 4.4030 7.8528 118.0802 58.4034 33.6528 177.7669 19 C 4.4325 8.0940 114.2751 58.9757 29.5595 172.6093 20 G 3.4762 7.3512 112.5119 45.4008 0.0000 171.8971 *22 E 4.0868 8.0094 115.6469 55.0039 31.2231 174.7786 23 P 4.4113 0.0000 0.0000 61.6399 32.2275 175.9041 24 D 4.5742 9.3010 121.5410 53.3124 43.0150 176.8128 *26 A 4.2604 8.3650 123.1056 52.1528 20.5149 178.8944 27 L 3.9449 8.4655 117.0956 58.2620 42.0853 178.7488 28 L 4.0470 8.4073 120.6585 58.4194 41.9545 178.8305 29 E 3.9889 8.1699 117.9111 59.2498 29.4252 179.4040 30 K 4.0533 7.8869 118.1662 59.4516 32.3029 179.5416 31 V 3.3063 7.8485 118.8941 66.1994 31.1351 178.2204 32 T 3.9330 7.9156 114.5863 66.4761 68.6473 176.3176 33 K 4.2100 8.2727 120.5724 59.7091 31.9386 179.5159 34 G 3.9111 8.0450 104.3077 48.1793 0.0000 175.1879 35 C 4.3835 7.8467 117.5096 62.0471 28.5047 171.8260 36 G 3.7759 7.7904 104.6695 43.1922 0.0000 171.6343 37 P 4.4047 0.0000 0.0000 61.9636 31.9373 175.7869 38 A 3.9344 8.3334 121.8602 52.5904 18.6881 177.0205 39 I 4.4343 7.9340 122.1284 59.8958 38.8930 175.5667 40 Y 4.0746 8.6565 123.0057 59.6121 38.6716 175.1340 41 N 4.6157 8.2458 121.0276 52.9395 38.5088 175.5296 42 R 4.0882 8.8142 128.7465 61.9774 29.0955 175.4437 43 D 4.5830 8.3189 117.5522 57.2258 40.9112 178.2522 44 A 4.2591 8.0619 119.8109 53.6107 18.9523 178.5940 45 S 4.5842 8.0128 111.4864 57.9380 63.6814 173.4575 46 T 4.9980 7.1123 112.1072 60.0846 71.4649 173.3930 47 V 4.4084 8.4849 122.9056 61.2292 33.5497 175.7031 48 A 4.1778 8.6415 130.1157 50.9417 17.7721 178.1870 49 G 3.5929 8.7408 111.3493 48.9228 0.0000 172.8134 50 S 4.4762 7.9537 112.0885 58.0409 63.6334 173.5323 51 D 4.7137 7.8742 121.8153 53.1796 41.9075 176.5851 52 T 3.8520 8.5218 124.4304 66.9373 68.6079 176.2137 53 A 3.9876 7.9820 121.9176 55.0186 18.4117 179.0328 54 E 3.8991 8.4648 117.8380 59.5821 29.7302 179.1842 55 L 4.0836 7.9056 118.7396 57.8410 41.6005 179.3108 56 E 4.0205 8.4896 118.7354 59.6891 29.2568 179.6231 57 T 3.9332 8.0585 115.9239 66.5350 68.5313 176.9075 58 I 3.7822 7.8695 121.8489 64.1632 36.9260 178.3434 59 K 3.9858 8.1285 121.6655 60.1100 32.1695 179.3974 60 K 4.1305 8.0531 122.5230 59.8017 31.8842 180.1129 61 N 4.7925 8.4250 117.8549 54.9443 38.8677 177.1896 62 F 4.2836 7.8780 121.2632 60.5782 39.9537 177.0898 63 L 3.8517 7.7371 115.3175 56.0154 41.4490 178.9548 *65 K 4.1517 8.0072 118.5460 56.4914 33.8956 177.4621 66 K 3.9617 7.5475 116.3744 59.2267 32.0322 178.5911 67 L 3.8502 7.4804 116.2580 54.8012 41.7832 177.5048 68 G 3.7594 7.7861 105.9358 46.3005 0.0000 173.7471 69 L 4.1400 7.4553 118.3964 53.2695 42.5637 176.6781 70 A 4.1226 8.1020 124.2898 51.2100 19.2124 177.0647 71 D 4.2800 8.6184 122.6746 54.9530 41.6433 175.5148 72 S 4.5924 8.1233 118.8492 57.5232 65.1829 176.3084 73 E 4.0346 8.9862 120.9251 59.4725 29.4287 179.0241 74 S 4.3373 8.2203 113.0324 61.3572 63.2360 175.8967 75 L 4.3652 8.1195 118.3487 55.9299 41.2786 178.5995 *77 G 3.9250 8.1885 109.8982 45.6311 0.0000 175.9124 78 G 3.4664 8.6257 107.4577 47.4481 0.0000 175.8474 79 I 3.8140 7.9397 122.4881 64.3094 37.1361 178.5490 80 Q 4.0405 8.0963 118.3209 58.9273 28.4784 178.7027 81 S 4.0607 8.1998 114.1247 61.6342 62.4191 176.7518 82 V 3.6612 7.8570 114.9944 64.2222 31.2758 178.7304 83 I 3.8130 7.9426 119.8680 64.2401 36.7054 178.0290 84 E 3.9638 8.1924 119.2870 59.5736 29.5681 178.5999 85 T 4.0362 7.9743 114.8815 66.9154 68.6113 175.5784 86 Y 4.3527 8.0523 120.4225 60.1411 39.4052 175.7414 87 G 4.0542 8.1273 110.3917 44.5159 0.0000 175.7295 88 R 3.9507 8.6971 122.7721 59.2556 29.5493 175.5672 89 S 4.2934 7.8933 111.2604 59.5928 63.2194 173.6029 90 E 4.1109 7.7325 122.6469 55.5353 29.1712 176.2882 91 R 4.1969 8.3726 124.9754 56.9162 31.1371 176.7075 92 N 4.4941 8.0055 115.7156 51.1348 38.2666 173.8220 93 K 3.2109 7.1478 118.2211 54.7277 32.1268 176.1497 94 Y 4.6570 8.4370 123.3756 57.6778 39.2939 177.2269 95 R 3.7328 9.0977 125.0093 59.2158 30.0757 178.6688 96 A 3.7200 7.5214 120.2757 54.9163 18.0260 179.6577 97 V 3.3107 7.1533 115.2511 65.8936 31.7812 177.8849 98 V 3.8633 7.6495 116.8124 66.4908 31.7042 177.3235 99 Y 4.2413 8.4364 116.8282 61.0063 37.5733 178.2670 100 Y 4.2017 8.1715 117.0146 58.5233 38.5975 177.4903 *102 L 4.4267 7.8445 120.0029 54.8445 44.0457 179.2635 103 T 4.0338 8.3865 115.0917 66.7809 68.9100 176.7820 104 K 3.8301 8.1275 120.7190 59.7076 32.2583 178.7458 105 H 3.8855 8.3073 116.8108 58.9455 29.6093 175.5410 106 F 4.6018 8.1387 114.7854 56.6062 39.0313 175.7919 107 G 3.9879 7.7909 108.6359 47.0779 0.0000 174.9811 108 K 4.5720 8.1205 116.6209 55.9123 32.8404 177.7031 109 E 4.1062 8.4154 122.5053 59.8792 29.3350 179.0885 110 S 4.2238 8.1232 113.3589 61.2248 62.8010 176.6760 111 V 3.6004 7.5905 115.3351 63.9486 31.2567 177.0027 112 Y 4.2584 7.7622 114.0776 57.6156 38.0669 175.6838 113 G 4.1981 8.0168 114.6300 45.9561 0.0000 173.5935 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 0 G 8.34 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 *2 G 8.81 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 3 K 8.29 3.76 0.00 1.47 1.29 0.00 1.44 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.80 1.18 7.81 4 R 7.75 3.69 0.00 1.87 1.83 0.00 3.28 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 5 D 7.89 4.27 0.00 2.65 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 6 D 8.08 4.21 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 7 L 7.94 3.27 0.00 1.37 0.74 0.79 0.35 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 8 I 7.29 3.37 1.73 0.00 0.00 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 1.44 0.59 0.86 0.00 0.00 9 A 7.91 3.87 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 10 Q 7.88 3.82 0.00 2.07 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 11 Y 7.82 4.30 0.00 2.98 2.71 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 12 A 8.14 3.85 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 13 D 8.22 4.24 0.00 2.84 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 14 D 8.55 4.43 0.00 3.02 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 15 L 7.95 3.82 0.00 1.65 1.57 0.07 0.77 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 16 R 8.07 3.88 0.00 1.95 1.89 0.00 3.06 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 17 N 8.52 4.73 0.00 2.92 2.86 0.00 0.00 7.03 7.60 0.00 0.00 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 K 7.85 4.40 0.00 1.98 1.98 0.00 2.08 0.00 0.00 1.99 0.00 0.00 3.14 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.58 7.81 19 C 8.09 4.43 0.00 3.07 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 20 G 7.35 3.48 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 0.00 0.00 0.00 0.00 *22 E 8.01 4.09 0.00 2.03 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 2.13 1.88 0.00 23 P 0.00 4.41 0.00 2.05 1.89 0.00 3.70 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 24 D 9.30 4.57 0.00 2.76 2.81 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 *26 A 8.36 4.26 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.47 3.94 0.00 1.91 1.98 0.81 0.08 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 28 L 8.41 4.05 0.00 1.71 1.62 0.70 0.89 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 29 E 8.17 3.99 0.00 2.32 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 2.40 1.97 0.00 30 K 7.89 4.05 0.00 1.89 2.01 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.54 1.68 7.81 31 V 7.85 3.31 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 1.12 0.00 0.00 0.41 0.00 0.00 32 T 7.92 3.93 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 1.32 0.00 0.00 33 K 8.27 4.21 0.00 2.09 1.95 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.71 7.81 34 G 8.04 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 35 C 7.85 4.38 0.00 3.16 2.97 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 36 G 7.79 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.40 0.00 2.22 2.10 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 38 A 8.33 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.93 4.43 1.87 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 1.43 0.79 0.99 0.00 0.00 40 Y 8.66 4.07 0.00 2.97 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 41 N 8.25 4.62 0.00 2.86 2.79 0.00 0.00 7.32 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 42 R 8.81 4.09 0.00 1.85 1.96 0.00 3.32 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.32 0.00 43 D 8.32 4.58 0.00 2.75 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.06 4.26 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 45 S 8.01 4.58 0.00 4.28 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 0.00 46 T 7.11 5.00 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 0.94 0.00 0.00 47 V 8.48 4.41 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 0.78 0.00 0.00 0.88 0.00 0.00 48 A 8.64 4.18 1.24 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 49 G 8.74 3.59 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 0.00 0.00 0.00 50 S 7.95 4.48 0.00 3.97 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 51 D 7.87 4.71 0.00 2.82 2.69 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 52 T 8.52 3.85 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 53 A 7.98 3.99 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 54 E 8.46 3.90 0.00 2.30 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 2.46 2.44 0.00 55 L 7.91 4.08 0.00 1.92 1.74 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.49 4.02 0.00 2.14 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 0.00 2.58 2.51 0.00 57 T 8.06 3.93 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 1.27 0.00 0.00 58 I 7.87 3.78 2.10 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 1.66 1.15 1.00 0.00 0.00 59 K 8.13 3.99 0.00 1.78 2.03 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 60 K 8.05 4.13 0.00 1.89 1.71 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.35 7.81 61 N 8.43 4.79 0.00 2.92 2.94 0.00 0.00 6.69 8.71 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 62 F 7.88 4.28 0.00 2.78 2.97 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 63 L 7.74 3.85 0.00 1.80 1.34 0.97 0.65 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 *65 K 8.01 4.15 0.00 1.93 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.56 7.81 66 K 7.55 3.96 0.00 1.50 1.56 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.47 7.81 67 L 7.48 3.85 0.00 1.44 1.43 0.72 0.69 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 68 G 7.79 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.46 4.14 0.00 1.44 1.30 -0.23 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.10 4.12 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 71 D 8.62 4.28 0.00 2.61 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 72 S 8.12 4.59 0.00 3.99 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 73 E 8.99 4.03 0.00 2.00 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 2.34 2.32 0.00 74 S 8.22 4.34 0.00 4.23 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 75 L 8.12 4.37 0.00 1.76 1.71 0.84 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 *77 G 8.19 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.63 3.47 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 0.00 0.00 0.00 79 I 7.94 3.81 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.15 0.98 0.00 0.00 80 Q 8.10 4.04 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 81 S 8.20 4.06 0.00 3.92 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 82 V 7.86 3.66 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 0.70 0.00 0.00 1.08 0.00 0.00 83 I 7.94 3.81 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.22 0.92 0.00 0.00 84 E 8.19 3.96 0.00 2.31 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 2.32 2.22 0.00 85 T 7.97 4.04 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 1.22 0.00 0.00 86 Y 8.05 4.35 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 87 G 8.13 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 0.00 0.00 0.00 0.00 88 R 8.70 3.95 0.00 1.84 1.87 0.00 3.27 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 89 S 7.89 4.29 0.00 3.84 3.92 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 0.00 0.00 0.00 90 E 7.73 4.11 0.00 1.85 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 1.79 1.85 0.00 91 R 8.37 4.20 0.00 1.75 1.87 0.00 3.16 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 92 N 8.01 4.49 0.00 2.50 2.04 0.00 0.00 6.96 8.47 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 93 K 7.15 3.21 0.00 1.68 1.42 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.38 1.14 7.81 94 Y 8.44 4.66 0.00 3.08 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 95 R 9.10 3.73 0.00 1.65 1.63 0.00 2.69 0.00 0.00 2.65 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 96 A 7.52 3.72 0.59 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 0.00 0.00 97 V 7.15 3.31 2.29 0.00 0.00 0.00 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 0.80 0.00 0.00 98 V 7.65 3.86 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 1.08 0.00 0.00 1.13 0.00 0.00 99 Y 8.44 4.24 0.00 2.79 2.71 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 0.00 100 Y 8.17 4.20 0.00 3.00 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 *102 L 7.84 4.43 0.00 2.27 2.16 1.10 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.39 4.03 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 1.42 0.00 0.00 104 K 8.13 3.83 0.00 1.63 1.74 0.00 1.56 0.00 0.00 1.53 0.00 0.00 2.55 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.84 0.97 7.81 105 H 8.31 3.89 0.00 2.91 3.25 0.00 5.91 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 0.00 106 F 8.14 4.60 0.00 3.11 2.97 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 0.00 107 G 7.79 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 0.00 108 K 8.12 4.57 0.00 1.78 1.75 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.52 7.81 109 E 8.42 4.11 0.00 2.07 2.06 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 2.37 2.39 0.00 110 S 8.12 4.22 0.00 4.05 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 0.00 111 V 7.59 3.60 1.81 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 0.62 0.00 0.00 0.63 0.00 0.00 112 Y 7.76 4.26 0.00 3.24 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 0.00 113 G 8.02 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.