NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4091 8.4401 118.7908 56.3780 31.1055 174.6620 3 A 4.4732 8.4285 122.0126 51.4274 22.7294 173.0690 4 K 4.9377 8.6726 114.5750 55.7290 36.7363 173.6748 5 A 4.7380 8.2048 124.1216 50.7826 22.6598 175.6427 6 I 5.0178 7.4282 115.1585 62.4540 41.3394 170.5654 7 A 4.2772 7.9086 123.3913 51.4911 20.9577 175.7987 8 R 4.7974 8.4213 130.9728 56.9073 28.7065 179.2376 9 Y 3.7301 8.1822 108.4126 59.1536 34.6640 174.9807 10 V 4.1181 8.1441 123.1472 60.9029 31.3022 174.7787 11 R 3.9925 8.7579 127.0096 57.1626 29.8750 176.7988 12 I 3.9333 7.7244 125.9330 60.0023 39.8504 175.0353 13 S 4.2946 7.9369 116.5061 58.7297 60.3335 173.1260 14 P 3.9412 0.0000 0.0000 65.1730 31.8003 177.8573 15 R 3.2538 8.4052 111.0281 59.6089 30.4074 179.2386 16 K 3.9247 9.1068 115.8953 58.7416 32.7205 180.1377 17 V 3.0471 8.2900 116.4775 64.3680 32.9286 178.3978 18 R 3.8653 9.0797 117.8815 59.2584 29.9587 178.4301 19 L 4.0285 8.2562 117.5724 58.6507 41.9576 180.5753 20 V 2.5958 8.2107 108.2641 64.3390 33.0357 176.7729 21 V 3.4552 9.5681 110.6397 64.7063 32.7913 178.8258 22 D 4.3985 7.5495 121.9634 56.0753 42.1065 177.0056 23 L 4.3742 12.0000 119.9403 54.9689 41.4981 179.6461 24 I 3.4509 9.1363 113.0595 63.5122 38.8289 174.6483 25 R 3.6885 9.7649 119.1722 51.2583 32.8916 174.4861 26 G 4.6826 7.6882 106.7508 45.1157 0.0000 173.1899 27 K 4.4351 8.5687 124.8939 54.6963 36.9835 174.4201 28 S 4.2352 8.3698 116.2202 57.6976 63.1649 173.8419 29 L 4.3072 9.1054 123.6727 55.3659 41.8104 180.7322 30 E 3.3352 8.7110 113.4384 58.4365 31.0275 176.3802 31 E 3.7615 9.2464 118.7383 59.4227 29.8915 178.1637 32 A 4.0008 7.6079 120.2123 55.5163 18.8053 179.7499 33 R 3.8418 7.1817 113.7104 58.5196 30.9160 177.2221 34 N 4.9449 8.2990 115.3988 53.3823 40.5825 176.0691 35 I 3.7121 9.3817 121.5312 64.6893 37.0244 178.2653 36 L 3.8289 7.7485 118.9024 57.4185 42.1408 178.8469 37 R 3.8746 8.0611 118.2415 58.9851 30.0211 176.5752 38 Y 5.0409 8.0484 111.7301 57.8600 39.7831 177.6103 39 T 4.6932 8.2529 119.4678 61.2916 67.9999 172.8021 40 N 5.0399 8.7552 119.5115 53.1154 40.3365 177.4458 41 K 4.7801 8.4888 110.2466 53.1235 33.8450 174.3241 42 R 4.0916 8.3598 114.9122 54.2712 29.8829 179.8209 43 G 3.7193 9.2201 98.3284 47.2184 0.0000 175.6345 44 A 3.1690 10.6000 112.1955 51.9933 20.1412 180.7912 45 Y 3.1924 9.2227 117.9910 55.1507 41.9908 175.3888 46 F 3.6814 10.0514 110.1485 60.4614 39.7876 179.1078 47 V 3.3788 7.0804 122.9656 66.4141 32.7884 176.3739 48 A 3.7175 8.8767 119.5284 56.2005 17.6998 180.4201 49 K 4.0027 8.3657 111.5361 57.6810 33.2971 177.6721 50 V 3.6647 7.4228 117.5547 64.4591 32.1366 177.2025 51 L 4.4969 9.1116 118.4207 55.8238 42.6419 178.4957 52 E 3.9734 9.0646 119.7301 59.2233 29.6839 178.8311 53 S 4.3298 7.9095 113.1839 60.6403 62.7114 175.6584 54 A 4.1107 7.8695 124.2290 53.9424 18.3321 178.7296 55 A 3.8953 8.5206 119.1470 54.5671 19.0738 179.3808 56 A 3.7940 9.4274 117.6880 53.8704 17.9636 181.3391 57 N 3.7097 6.0083 117.4357 54.8565 43.2154 176.1402 58 A 4.3261 8.1873 116.1263 53.2381 17.7605 181.5071 59 V 3.2442 8.1882 118.0573 67.1215 33.6155 175.5599 60 N 4.4870 7.9249 114.5453 55.9248 38.3599 175.9032 61 N 5.0068 9.0777 112.0084 53.0035 40.4790 174.7240 62 H 4.6372 8.9529 114.3561 54.3496 30.1808 173.6633 63 D 3.7518 7.9153 117.6523 55.0339 39.8784 173.0099 *65 L 4.0499 8.0159 117.4026 54.4513 42.1304 178.1291 66 E 4.0689 8.7797 127.7038 57.5383 29.4575 179.1266 67 D 3.6352 9.1939 110.8171 53.7842 42.8679 176.6599 68 R 3.6190 8.4674 122.2834 57.1317 30.4215 176.3309 69 L 5.3756 12.0000 119.6263 53.1570 44.5565 174.7348 70 Y 4.9325 6.8069 115.2942 58.4939 41.1110 174.1389 71 V 4.8733 8.2234 105.3179 57.3823 32.4974 175.3717 72 K 4.4966 8.1907 125.0047 59.6952 32.3181 176.2326 73 A 4.7383 7.7104 116.3608 51.3224 22.3743 175.1233 74 A 5.0597 8.5689 120.4824 51.0947 22.3517 175.1523 75 Y 5.1015 8.8397 118.7259 56.0450 42.1234 173.9449 76 V 4.5285 8.2574 118.1778 60.2558 34.2836 174.0679 77 D 5.0891 8.3772 121.7950 52.6927 45.0905 174.3757 78 E 4.4580 8.5251 121.1658 54.3931 31.8250 176.2117 79 G 3.8714 8.6664 115.1605 46.5987 0.0000 173.0834 80 P 3.7582 0.0000 0.0000 60.2477 31.7096 175.3316 81 A 4.7219 8.0942 127.7048 51.6929 20.5672 177.9584 82 L 4.4779 8.4622 116.5988 57.4325 43.3365 176.9387 83 K 4.8750 6.7488 117.7297 53.2103 29.4587 174.9154 84 R 4.6792 9.5346 124.4656 54.2055 32.8958 175.9278 85 V 4.2341 8.3998 117.3265 61.2093 32.7374 175.5151 86 L 4.8554 7.8562 123.6485 52.5324 45.7543 173.6989 87 P 4.0343 0.0000 0.0000 63.5209 31.3423 175.5799 88 R 3.7403 9.4013 122.2922 58.0101 29.5096 178.0788 89 A 3.9629 10.6000 127.5194 55.9787 16.8553 178.0832 90 R 4.1103 12.0000 114.0915 57.7369 28.1694 176.5149 91 G 4.3458 7.4964 106.5691 46.1429 0.0000 173.8183 92 R 4.5635 7.5680 119.8893 53.0619 32.3521 176.0200 93 A 4.1962 8.3516 124.1924 52.6022 18.7539 177.3902 94 D 4.6897 8.3913 120.0723 52.8119 43.8179 174.1402 95 I 5.0572 8.5320 123.5511 59.2146 39.6846 175.8874 96 I 4.4943 7.8442 118.8642 60.1033 41.2075 174.3020 97 K 4.4752 8.2891 122.6680 55.8137 34.8084 176.8892 98 K 4.1118 8.6893 126.0993 56.3821 29.9649 177.0156 99 R 4.1406 8.6890 124.0498 58.3172 27.5626 174.9301 100 T 3.1478 6.6605 109.6026 57.6982 74.3555 172.7140 101 S 4.5739 7.3726 111.2487 58.6148 67.1893 176.7914 102 H 4.8107 9.7103 123.6014 55.9583 30.6489 175.3109 103 I 4.7625 7.9399 119.4146 61.0496 40.0004 174.4899 104 T 5.2113 7.7835 117.4431 59.5623 71.9255 174.5722 105 V 4.6847 7.5711 111.7917 61.0793 35.6137 172.0774 106 I 4.3727 9.1409 127.7897 61.5450 38.8493 175.4093 107 L 5.5020 8.3772 125.9489 54.4077 43.6522 174.4489 108 G 4.2970 7.7078 110.9613 43.5505 0.0000 169.1507 109 E 4.4159 8.6768 118.9754 56.3152 30.6637 176.2959 110 K 5.0368 10.5737 125.1748 56.1817 33.3085 173.8648 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 E 8.44 4.41 0.00 1.99 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 2.30 0.00 3 A 8.43 4.47 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 4 K 8.67 4.94 0.00 1.60 1.68 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.42 7.81 5 A 8.20 4.74 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 6 I 7.43 5.02 1.83 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 1.24 1.03 0.88 0.00 0.00 7 A 7.91 4.28 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 8 R 8.42 4.80 0.00 2.12 1.37 0.00 4.05 0.00 0.00 3.56 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.66 0.00 9 Y 8.18 3.73 0.00 2.94 3.25 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 0.00 10 V 8.14 4.12 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 1.47 0.00 0.00 1.15 0.00 0.00 11 R 8.76 3.99 0.00 1.87 1.86 0.00 3.55 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 12 I 7.72 3.93 1.75 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.12 0.81 0.00 0.00 13 S 7.94 4.29 0.00 3.85 3.74 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 14 P 0.00 3.94 0.00 2.07 2.00 0.00 3.59 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 2.14 2.40 0.00 15 R 8.41 3.25 0.00 1.85 1.79 0.00 3.16 0.00 0.00 3.33 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 16 K 9.11 3.92 0.00 1.90 1.66 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 17 V 8.29 3.05 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 1.15 0.00 0.00 1.04 0.00 0.00 18 R 9.08 3.87 0.00 2.07 2.00 0.00 3.23 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 19 L 8.26 4.03 0.00 1.76 1.78 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.21 2.60 2.17 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 0.87 0.00 0.00 1.02 0.00 0.00 21 V 9.57 3.46 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 0.82 0.00 0.00 1.03 0.00 0.00 22 D 7.55 4.40 0.00 2.89 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 23 L 12.00 4.37 0.00 1.68 1.26 0.95 0.91 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 24 I 9.14 3.45 1.90 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 1.33 0.73 0.94 0.00 0.00 25 R 9.76 3.69 0.00 2.01 1.96 0.00 3.33 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 26 G 7.69 4.68 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 0.00 0.00 0.00 27 K 8.57 4.44 0.00 1.98 2.06 0.00 1.71 0.00 0.00 1.94 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.49 7.81 28 S 8.37 4.24 0.00 3.95 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 29 L 9.11 4.31 0.00 1.82 0.88 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.71 3.34 0.00 2.12 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 2.35 2.33 0.00 31 E 9.25 3.76 0.00 2.06 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 0.00 2.34 2.30 0.00 32 A 7.61 4.00 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.18 3.84 0.00 2.08 2.03 0.00 3.12 0.00 0.00 3.24 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 34 N 8.30 4.94 0.00 2.95 2.91 0.00 0.00 6.91 8.23 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 35 I 9.38 3.71 1.94 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 1.55 1.09 0.94 0.00 0.00 36 L 7.75 3.83 0.00 1.64 1.74 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.06 3.87 0.00 1.86 1.88 0.00 3.01 0.00 0.00 2.74 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.40 0.00 38 Y 8.05 5.04 0.00 3.10 2.82 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 39 T 8.25 4.69 4.36 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 1.31 0.00 0.00 40 N 8.76 5.04 0.00 2.67 1.87 0.00 0.00 6.90 6.68 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 41 K 8.49 4.78 0.00 1.82 1.78 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.53 7.81 42 R 8.36 4.09 0.00 1.77 1.20 0.00 3.08 0.00 0.00 2.99 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 43 G 9.22 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 0.00 0.00 0.00 44 A 10.60 3.17 1.37 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 0.00 0.00 0.00 45 Y 9.22 3.19 0.00 3.23 2.92 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 46 F 10.05 3.68 0.00 3.31 2.92 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 47 V 7.08 3.38 2.27 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 0.84 0.00 0.00 1.05 0.00 0.00 48 A 8.88 3.72 1.26 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 49 K 8.37 4.00 0.00 1.61 1.65 0.00 1.39 0.00 0.00 1.42 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.48 7.81 50 V 7.42 3.66 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 0.95 0.00 0.00 0.90 0.00 0.00 51 L 9.11 4.50 0.00 2.01 1.65 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 52 E 9.06 3.97 0.00 1.73 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 2.34 2.41 0.00 53 S 7.91 4.33 0.00 3.80 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 54 A 7.87 4.11 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 55 A 8.52 3.90 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 56 A 9.43 3.79 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 57 N 6.01 3.71 0.00 3.02 2.76 0.00 0.00 7.33 8.43 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 58 A 8.19 4.33 1.05 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 59 V 8.19 3.24 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 0.81 0.00 0.00 0.92 0.00 0.00 60 N 7.92 4.49 0.00 3.00 2.86 0.00 0.00 6.92 7.89 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 61 N 9.08 5.01 0.00 2.62 2.79 0.00 0.00 6.96 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 62 H 8.95 4.64 0.00 3.08 3.26 0.00 5.82 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.92 3.75 0.00 2.72 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 *65 L 8.02 4.05 0.00 1.93 1.70 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.78 4.07 0.00 1.92 1.84 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 2.29 2.30 0.00 67 D 9.19 3.64 0.00 3.04 3.02 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 0.00 0.00 0.00 68 R 8.47 3.62 0.00 2.09 1.98 0.00 3.13 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 69 L 12.00 5.38 0.00 1.66 1.61 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 6.81 4.93 0.00 3.39 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 4.87 2.18 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 1.17 0.00 0.00 1.19 0.00 0.00 72 K 8.19 4.50 0.00 1.80 1.88 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.60 7.81 73 A 7.71 4.74 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 74 A 8.57 5.06 1.26 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 75 Y 8.84 5.10 0.00 2.99 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 76 V 8.26 4.53 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 0.77 0.00 0.00 0.97 0.00 0.00 77 D 8.38 5.09 0.00 2.68 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 78 E 8.53 4.46 0.00 1.96 1.82 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 2.19 2.26 0.00 79 G 8.67 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 0.00 0.00 0.00 80 P 0.00 3.76 0.00 1.85 1.72 0.00 3.62 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 1.87 2.04 0.00 81 A 8.09 4.72 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 82 L 8.46 4.48 0.00 1.63 1.57 0.84 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 83 K 6.75 4.88 0.00 1.76 1.80 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.49 7.81 84 R 9.53 4.68 0.00 1.76 1.78 0.00 3.70 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 85 V 8.40 4.23 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 0.67 0.00 0.00 0.92 0.00 0.00 86 L 7.86 4.86 0.00 1.69 1.55 0.91 1.28 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 87 P 0.00 4.03 0.00 2.03 2.03 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 88 R 9.40 3.74 0.00 1.86 2.02 0.00 3.14 0.00 0.00 3.53 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 89 A 10.60 3.96 1.37 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 0.00 0.00 0.00 90 R 12.00 4.11 0.00 1.99 2.07 0.00 3.20 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 1.55 1.56 0.00 91 G 7.50 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.57 4.56 0.00 1.86 1.82 0.00 3.13 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 93 A 8.35 4.20 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 94 D 8.39 4.69 0.00 2.54 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.53 5.06 1.70 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.96 0.88 0.00 0.00 96 I 7.84 4.49 1.85 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 1.33 0.75 0.90 0.00 0.00 97 K 8.29 4.48 0.00 1.59 1.72 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.45 7.81 98 K 8.69 4.11 0.00 1.60 1.76 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.68 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.39 7.81 99 R 8.69 4.14 0.00 1.65 2.10 0.00 3.35 0.00 0.00 3.35 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 100 T 6.66 3.15 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 1.09 0.00 0.00 101 S 7.37 4.57 0.00 4.02 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 0.00 102 H 9.71 4.81 0.00 3.26 3.10 0.00 5.64 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.94 4.76 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.80 0.89 0.00 0.00 104 T 7.78 5.21 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 0.50 0.00 0.00 105 V 7.57 4.68 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 0.72 0.00 0.00 1.00 0.00 0.00 106 I 9.14 4.37 2.12 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 1.12 1.18 0.85 0.00 0.00 107 L 8.38 5.50 0.00 1.60 1.40 0.89 1.05 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 0.00 108 G 7.71 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 0.00 109 E 8.68 4.42 0.00 1.97 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 2.20 2.30 0.00 110 K 10.57 5.04 0.00 2.07 2.06 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.