NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8013 8.4244 119.4721 53.7863 39.4218 171.5632 3 T 4.6672 8.0889 116.7313 59.1120 70.7004 170.3678 4 L 4.7362 10.1399 132.9500 53.3481 44.8990 174.0912 5 E 5.2179 8.7720 125.3745 54.5264 31.8567 175.1716 6 L 4.7923 8.9653 126.3390 53.3269 45.9430 174.9366 7 S 5.0488 8.8017 120.6082 57.7900 63.9840 173.0502 8 A 4.8806 8.3619 122.9560 51.1859 22.8155 174.7452 9 R 4.8152 8.8358 118.1380 54.1703 33.9600 175.7982 10 V 3.9557 8.4362 122.8556 63.1252 31.8033 176.3440 11 L 4.4591 8.9941 128.8828 56.2143 43.0362 177.2353 12 E 4.7591 7.9306 116.5165 54.6345 34.2157 174.1620 13 C 4.8986 8.6088 123.1216 57.3348 34.0321 173.8862 14 G 3.6023 8.9995 114.1574 47.3507 0.0000 172.7119 15 A 3.8560 8.7493 124.0593 54.1952 17.9982 179.7471 *17 R 4.2086 8.4962 119.7659 55.3332 33.0302 174.8049 18 H 5.4888 8.4438 114.5544 54.7748 33.0973 174.0542 19 T 4.2400 9.0537 111.4405 60.5476 69.5526 173.8987 20 P 4.3627 0.0000 0.0000 65.6499 31.3433 177.2397 21 A 4.2717 8.0020 118.1401 52.1363 18.7300 177.7327 22 G 3.9201 8.6182 105.1796 45.1462 0.0000 173.6029 23 L 4.3382 7.8910 122.3922 53.5473 43.5141 174.4239 24 P 4.6929 0.0000 0.0000 63.5590 32.4187 174.9648 25 A 5.0954 8.6153 124.4709 50.3601 22.5964 175.3107 26 L 4.6477 8.8704 122.7775 53.4819 45.9983 174.6114 27 E 5.1086 8.8158 125.0311 54.7234 32.1364 174.8589 28 L 5.1938 9.0429 123.4774 52.8030 46.0910 174.9875 29 L 4.8996 8.6914 123.7034 53.5110 44.0422 175.0648 30 L 5.4022 9.0747 126.8116 52.8026 45.1099 175.6914 31 V 4.8645 8.6464 122.3473 60.1381 34.2584 173.7905 32 H 5.1768 9.5715 124.8684 54.3539 32.4386 172.5668 33 E 5.1631 8.3341 124.1065 54.8426 32.9634 174.7106 34 S 4.5735 8.9983 118.4003 57.7689 67.1600 172.6773 35 E 5.1526 8.6806 118.5818 54.9415 32.0549 176.0174 36 V 4.5534 8.7993 116.4711 59.6079 35.8631 174.7366 37 V 4.0652 8.2876 120.8391 61.4539 31.9777 174.6227 38 E 4.3511 8.4860 127.9713 53.6901 30.6515 174.3774 39 A 4.0369 8.5936 129.8411 53.8233 19.1384 177.7561 40 G 4.0066 8.6905 112.0356 46.2699 0.0000 172.1490 *43 R 4.1526 8.1091 116.9473 56.0697 31.4775 174.7730 44 R 4.9353 8.4453 120.3718 55.3152 31.3949 175.6334 45 V 4.6229 9.2506 126.4628 59.6917 34.3069 174.1409 46 E 5.0832 8.8985 122.4135 54.3737 31.8093 174.7799 47 L 4.7842 9.2941 126.9356 53.3264 45.2885 174.8727 48 T 5.0465 8.5918 122.5868 61.9508 70.5891 173.8036 49 I 4.6468 8.8532 126.0821 59.4299 42.0495 174.1715 50 S 4.9112 8.7470 124.6498 58.3874 64.3767 172.9173 51 A 5.2414 9.2774 125.1650 50.0483 22.7037 175.2625 52 V 4.8607 8.7074 119.5429 59.7807 34.9401 174.2964 53 A 4.9930 8.8564 125.5752 50.0723 21.7194 175.1333 54 L 5.0571 8.3247 120.2366 53.1046 45.3930 178.7055 55 G 3.8564 9.0609 109.4100 47.0753 0.0000 176.7386 56 D 4.3768 8.6873 120.9513 57.1113 40.6941 177.8869 57 L 3.9221 7.9400 120.3328 57.8311 41.9844 178.6660 58 A 3.9727 7.9409 120.3690 55.1597 18.1769 179.4060 59 L 3.9313 7.5263 115.6780 57.9941 41.7817 179.4141 60 L 4.1302 7.9283 117.8661 57.5053 41.7730 178.8188 61 L 4.2954 8.0509 116.5662 53.8203 42.0147 176.5992 62 A 3.9533 7.0811 122.4917 54.0413 18.6172 176.9844 63 D 4.4378 8.8568 120.3726 55.3034 38.4609 174.1800 64 T 3.9031 7.5120 116.1962 63.0008 68.7743 172.8840 65 P 4.3399 0.0000 0.0000 62.3175 32.0401 175.8994 66 L 4.0494 8.2512 122.2486 56.4295 42.0086 177.6160 67 G 3.9986 9.1125 112.1851 45.2038 0.0000 174.0539 68 T 3.9277 7.5491 117.4634 64.3135 69.3442 173.9647 69 E 4.9754 8.6202 125.1435 54.7661 32.2591 175.1943 *71 Q 4.4852 8.3241 118.8544 56.1749 30.3510 175.0073 72 V 4.9755 8.8437 116.9960 59.7029 36.0936 174.4599 73 Q 4.8971 8.7409 122.5979 54.9109 33.0858 174.7753 74 G 3.8410 8.1931 111.5528 46.6894 0.0000 171.5779 75 F 5.4390 7.3716 113.8125 55.3023 40.4904 175.1329 76 L 5.0412 8.9417 120.5700 54.2971 42.9720 176.0348 77 A 4.9126 8.7434 123.0027 49.6717 23.0227 174.0678 78 P 4.7051 0.0000 0.0000 62.8765 31.5377 176.4642 79 A 4.3040 9.1686 124.3832 55.1950 19.1297 177.3561 80 R 4.3675 7.6458 109.6630 54.9217 31.9279 173.6507 81 K 3.9348 8.6186 119.2816 58.1981 32.1623 175.7196 82 D 4.4372 8.9440 123.5253 54.9064 38.6619 173.7686 83 S 4.2937 8.0402 114.3116 58.2502 62.7764 174.5897 84 V 3.9291 8.1731 125.1051 62.7318 32.3286 176.0388 85 K 4.2222 8.1228 124.0707 56.3314 32.9332 176.3703 86 V 4.8415 8.3683 120.0887 59.8853 34.4434 175.2567 87 K 4.7478 9.1069 121.2557 54.5981 36.4156 175.3687 88 L 4.4661 8.6835 127.1652 54.8403 43.5237 175.4035 89 H 4.6513 8.9990 125.3356 54.1336 29.1822 174.6975 90 L 4.3829 8.4743 124.8339 55.1945 40.9878 177.4038 91 Q 4.6579 9.5172 122.1270 56.3609 31.9783 175.6126 92 Q 4.7249 7.8916 116.0421 54.2623 33.5197 174.0076 93 A 5.0768 8.3819 122.9361 50.8275 22.3401 175.7765 94 R 4.6784 8.8112 120.4407 54.3335 34.1825 175.6381 95 R 4.2207 8.6219 122.0368 56.2975 31.1962 177.1895 96 I 4.1311 8.5486 124.2447 60.3988 36.4765 175.3248 97 A 4.1128 8.4610 130.0398 51.7079 19.0240 176.8394 98 G 4.2951 8.3820 110.3460 43.9058 0.0000 172.9533 99 S 4.6577 8.2639 111.2844 56.1654 63.8645 173.8999 *101 G 3.7986 8.3200 115.0405 45.1584 0.0000 170.9748 102 R 4.0885 9.3778 120.9849 56.6916 30.3339 175.8947 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 2 N 8.42 4.80 0.00 2.76 2.85 0.00 0.00 6.69 6.82 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 3 T 8.09 4.67 4.29 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 0.00 0.00 0.00 1.23 0.00 0.00 4 L 10.14 4.74 0.00 1.74 1.49 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.77 5.22 0.00 1.86 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 2.21 2.27 0.00 6 L 8.97 4.79 0.00 1.65 1.41 0.71 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.80 5.05 0.00 3.94 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 8 A 8.36 4.88 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 9 R 8.84 4.82 0.00 1.72 1.79 0.00 3.25 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 10 V 8.44 3.96 2.07 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 0.98 0.00 0.00 0.97 0.00 0.00 11 L 8.99 4.46 0.00 1.65 1.69 0.92 0.73 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 12 E 7.93 4.76 0.00 1.84 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 2.28 0.00 13 C 8.61 4.90 0.00 2.91 2.76 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 14 G 9.00 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.75 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 *17 R 8.50 4.21 0.00 1.91 1.94 0.00 3.07 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 18 H 8.44 5.49 0.00 2.95 3.15 0.00 5.89 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 9.05 4.24 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 1.23 0.00 0.00 20 P 0.00 4.36 0.00 2.07 2.19 0.00 3.69 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 2.05 2.12 0.00 21 A 8.00 4.27 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 22 G 8.62 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 23 L 7.89 4.34 0.00 1.84 1.56 0.94 1.02 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 P 0.00 4.69 0.00 2.27 1.95 0.00 3.63 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 2.13 2.15 0.00 25 A 8.62 5.10 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 26 L 8.87 4.65 0.00 1.70 1.42 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.82 5.11 0.00 1.92 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 2.39 2.27 0.00 28 L 9.04 5.19 0.00 1.52 1.57 0.89 0.35 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 29 L 8.69 4.90 0.00 1.73 1.59 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 30 L 9.07 5.40 0.00 1.56 1.50 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.65 4.86 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 0.91 0.00 0.00 1.02 0.00 0.00 32 H 9.57 5.18 0.00 3.29 3.30 0.00 5.72 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 33 E 8.33 5.16 0.00 1.76 1.74 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 2.17 2.24 0.00 34 S 9.00 4.57 0.00 3.83 3.85 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 35 E 8.68 5.15 0.00 1.83 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 2.29 0.00 36 V 8.80 4.55 2.09 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 0.67 0.00 0.00 1.01 0.00 0.00 37 V 8.29 4.07 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 0.79 0.00 0.00 0.93 0.00 0.00 38 E 8.49 4.35 0.00 1.99 1.78 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 2.25 2.26 0.00 39 A 8.59 4.04 1.27 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 0.00 0.00 0.00 40 G 8.69 4.01 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 0.00 *43 R 8.11 4.15 0.00 1.93 2.12 0.00 2.97 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 44 R 8.45 4.94 0.00 1.84 1.86 0.00 3.17 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 45 V 9.25 4.62 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 0.93 0.00 0.00 0.98 0.00 0.00 46 E 8.90 5.08 0.00 1.94 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 2.16 2.26 0.00 47 L 9.29 4.78 0.00 1.72 1.56 0.92 0.63 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 48 T 8.59 5.05 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 49 I 8.85 4.65 1.86 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 1.20 1.49 0.89 0.00 0.00 50 S 8.75 4.91 0.00 3.79 3.72 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 51 A 9.28 5.24 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 52 V 8.71 4.86 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 0.39 0.00 0.00 0.86 0.00 0.00 53 A 8.86 4.99 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 54 L 8.32 5.06 0.00 1.52 1.56 0.97 0.92 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 55 G 9.06 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 56 D 8.69 4.38 0.00 2.71 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 57 L 7.94 3.92 0.00 1.75 1.65 0.91 1.07 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 58 A 7.94 3.97 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 59 L 7.53 3.93 0.00 1.80 1.74 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.93 4.13 0.00 1.76 1.73 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.05 4.30 0.00 1.83 1.67 0.97 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.08 3.95 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 63 D 8.86 4.44 0.00 2.83 2.76 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 64 T 7.51 3.90 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 65 P 0.00 4.34 0.00 2.17 1.97 0.00 3.59 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 66 L 8.25 4.05 0.00 1.63 1.60 0.97 1.04 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 67 G 9.11 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 68 T 7.55 3.93 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 1.21 0.00 0.00 69 E 8.62 4.98 0.00 1.92 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 2.35 2.17 0.00 *71 Q 8.32 4.49 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 72 V 8.84 4.98 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 0.72 0.00 0.00 0.96 0.00 0.00 73 Q 8.74 4.90 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 74 G 8.19 3.84 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 0.00 0.00 0.00 75 F 7.37 5.44 0.00 3.30 3.27 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 0.00 76 L 8.94 5.04 0.00 1.63 1.68 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.74 4.91 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 78 P 0.00 4.71 0.00 2.30 2.09 0.00 3.82 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 2.01 2.00 0.00 79 A 9.17 4.30 1.32 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 0.00 0.00 0.00 80 R 7.65 4.37 0.00 1.96 2.03 0.00 2.99 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 81 K 8.62 3.93 0.00 1.74 1.79 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.48 7.81 82 D 8.94 4.44 0.00 2.87 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 83 S 8.04 4.29 0.00 3.83 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 84 V 8.17 3.93 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 0.76 0.00 0.00 0.93 0.00 0.00 85 K 8.12 4.22 0.00 1.88 1.72 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.42 7.81 86 V 8.37 4.84 2.09 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 0.78 0.00 0.00 0.93 0.00 0.00 87 K 9.11 4.75 0.00 1.60 1.54 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.65 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.34 7.81 88 L 8.68 4.47 0.00 1.72 1.47 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 89 H 9.00 4.65 0.00 1.40 2.35 0.00 5.87 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.47 4.38 0.00 1.45 1.57 0.87 1.11 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 91 Q 9.52 4.66 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 92 Q 7.89 4.72 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 93 A 8.38 5.08 1.16 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 0.00 0.00 94 R 8.81 4.68 0.00 1.63 1.77 0.00 3.33 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 95 R 8.62 4.22 0.00 1.69 1.85 0.00 3.20 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 96 I 8.55 4.13 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 1.16 0.47 0.91 0.00 0.00 97 A 8.46 4.11 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 98 G 8.38 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 0.00 0.00 0.00 0.00 99 S 8.26 4.66 0.00 3.94 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 *101 G 8.32 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 0.00 0.00 0.00 102 R 9.38 4.09 0.00 1.93 1.88 0.00 3.40 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.