NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3549 8.4449 120.2258 56.7135 31.3860 175.6678 4 K 4.4171 7.9293 117.1299 54.5952 33.0469 174.3343 5 R 4.2995 8.2902 120.5678 55.6428 32.8205 176.1729 6 N 4.6763 8.4400 119.4429 53.2230 40.2713 174.2172 7 I 4.6364 8.3576 122.2328 59.6628 40.2068 174.5726 8 F 5.6057 8.8624 127.0078 55.8836 41.1843 174.8855 9 L 5.0387 9.2459 125.4813 53.9854 43.0505 176.5747 10 V 4.7673 10.2328 116.8206 58.9350 35.6074 175.3132 11 G 3.7702 8.1883 111.4809 43.1146 0.0000 170.3560 12 P 4.5240 0.0000 0.0000 62.1448 32.0300 175.8338 13 M 4.0994 8.3574 118.8014 57.1156 32.2267 177.2677 14 G 3.8995 8.9558 109.6791 45.6031 0.0000 174.0449 15 A 4.1585 7.0759 121.3112 51.9386 18.8506 178.5660 16 G 3.8962 8.1927 103.9665 46.6322 0.0000 176.1342 17 K 3.9514 8.2873 121.0227 59.2310 32.0359 178.7209 18 S 4.4130 8.1279 112.9574 61.6292 62.5405 176.1263 19 T 3.7212 7.7817 111.8806 65.0894 68.6976 176.4481 20 I 3.8159 8.2050 123.7357 63.4538 36.9223 178.7810 21 G 3.6579 8.2543 107.2041 47.8299 0.0000 176.0815 22 R 3.3218 7.1498 120.6391 58.7417 29.9849 179.2099 23 Q 3.9117 7.6972 117.3637 58.7337 28.7868 178.6147 24 L 3.8987 7.9608 121.0987 58.0388 42.1659 178.8268 25 A 4.0352 8.2465 121.0299 55.4079 17.9916 179.6638 26 Q 3.9815 8.1495 116.5110 59.2683 28.5666 179.0675 27 Q 4.0771 8.0666 117.8817 57.7735 28.8188 177.5104 28 L 4.5069 7.5819 117.1422 53.1271 42.8748 175.6953 29 N 4.1588 7.6583 115.0241 55.0500 36.4828 173.1871 30 M 4.8158 8.1977 115.7974 53.5758 35.8638 176.1731 31 E 4.5093 8.6631 119.1142 55.5536 31.3776 175.4521 32 F 5.4173 8.5352 125.6766 57.0265 41.5234 174.3727 33 Y 4.3682 7.8828 121.6905 56.1598 42.8988 173.4344 34 D 5.1200 8.2529 122.2002 52.0800 43.7772 176.3089 35 S 4.1032 9.1626 122.5528 61.8215 62.8371 176.4372 36 D 4.4046 8.1919 122.0020 57.1338 40.6060 178.5247 37 Q 4.0279 8.7097 118.7790 58.9463 28.6454 178.4849 38 E 3.9368 8.6266 120.6019 59.5495 29.6499 178.9942 39 I 3.6553 7.9076 119.6831 64.5260 37.0706 178.3716 40 E 4.6646 8.4479 120.8758 58.6852 29.0319 179.3406 41 K 3.9929 8.2187 119.4627 59.5515 32.3734 178.9355 42 R 4.0836 8.2140 117.9859 58.7685 30.0386 178.2525 43 T 4.3349 8.0025 108.3824 61.4146 69.6281 176.1324 44 G 3.9041 8.6148 108.4847 45.0655 0.0000 172.6352 45 A 4.8203 7.8781 121.5722 49.1058 22.5474 176.0701 46 D 4.9782 8.6409 119.5424 54.3139 42.8987 178.1278 47 V 3.9222 9.1050 122.1178 66.3880 31.5348 178.8032 48 G 3.6027 8.1885 104.8461 47.7623 0.0000 175.5497 49 W 4.2072 8.2062 120.8686 59.3908 29.0951 178.6831 50 V 3.7655 8.0855 118.1161 65.8827 30.9609 177.8837 51 F 4.0551 8.5037 120.5775 61.2740 39.0044 176.5578 52 D 4.3181 8.0274 116.2824 57.2562 41.1207 177.7149 53 L 4.2062 8.2049 119.6504 58.3375 42.1755 178.3441 54 E 4.3198 8.8470 117.6535 55.8664 29.7464 177.6982 55 G 3.9187 8.3481 107.4937 44.9135 0.0000 173.4645 56 E 4.2602 8.3320 118.0612 59.0035 29.3254 177.7677 57 E 4.0399 8.3293 118.4534 59.5364 29.7976 179.2166 58 G 3.8184 8.1540 106.0746 47.2546 0.0000 175.0154 59 F 3.8365 8.4661 123.9384 60.7823 39.3611 177.3999 60 R 3.9217 8.3943 117.9605 59.1686 29.9404 178.5640 61 D 4.2427 8.2304 118.0272 57.2909 41.1712 178.3295 62 R 3.7334 7.6855 119.1760 59.1399 29.8250 178.0992 63 E 3.5724 7.9095 119.5019 59.2826 29.6511 178.5414 64 E 3.9543 8.4680 118.9321 59.2995 29.4771 179.4434 65 K 3.8679 7.8108 119.2114 59.3048 32.1976 179.1434 66 V 3.4719 7.7856 118.6535 66.1662 31.4342 178.1769 67 I 3.5485 7.8575 119.6767 63.9234 36.5754 177.9824 68 N 4.1657 7.7278 117.3760 56.7303 38.9268 176.3495 69 E 4.0378 8.0323 119.8123 59.5306 29.4443 179.5048 70 L 3.7715 8.0017 119.3316 57.7587 41.4694 179.2820 71 T 4.2221 7.7641 107.7271 63.6344 68.9483 176.0544 72 E 4.1677 7.6826 121.0530 57.8299 29.7201 177.0525 73 K 4.2876 7.1754 117.8010 56.2647 32.8402 175.9545 74 Q 4.7008 8.1256 118.4252 55.3130 31.9037 175.7946 75 G 3.8839 8.8350 108.8555 47.0253 0.0000 172.8117 76 I 5.1348 8.4169 111.9874 58.6968 41.6000 174.5030 77 V 4.8714 9.1148 123.7412 61.3833 33.5621 173.8942 78 L 5.2388 9.3886 131.0036 53.3581 44.4530 174.7873 79 A 5.1278 9.0779 129.2444 50.7812 20.3746 176.7564 80 T 5.0518 7.7988 112.6276 60.8036 71.0476 174.6937 81 G 4.1121 8.7699 111.0434 43.9795 0.0000 175.2531 82 G 3.7873 8.9205 108.7370 48.1359 0.0000 174.8790 83 G 4.0753 8.1160 106.4578 45.1862 0.0000 175.3355 84 S 4.4422 7.8748 116.8198 60.9680 62.9065 176.5514 85 V 4.0103 7.7215 110.7927 62.2986 31.6460 177.2584 86 K 3.9524 7.8489 119.8724 58.8474 32.2601 177.7477 87 S 4.3600 7.6858 113.1255 57.3513 63.0260 174.5701 88 R 3.8730 8.6180 129.7168 59.4088 29.7817 178.0314 89 E 3.9190 8.0969 117.9300 59.8229 29.6007 179.1447 90 T 3.7988 7.6569 114.9892 66.7291 68.5022 176.7166 91 R 3.9120 8.0620 119.8070 59.6177 30.1402 178.9644 92 N 4.4449 8.3745 116.0622 56.0109 38.5892 177.9177 93 R 3.8950 8.2679 120.1022 59.1357 29.7398 178.8790 94 L 3.8638 8.2877 119.0541 58.1716 41.4749 179.9129 95 S 4.0569 7.9602 113.1935 61.4487 62.8005 176.2130 96 A 4.3430 7.9627 122.2478 53.4855 18.3832 178.2278 97 R 4.5560 7.8200 114.2361 54.9239 30.7847 175.3220 98 G 3.3828 6.8867 105.1000 45.9712 0.0000 172.8319 99 V 4.1731 7.7263 120.7728 62.0804 32.7148 175.0438 100 V 4.5626 9.5599 129.3486 62.1030 32.9578 174.5700 101 V 4.8144 8.9411 128.8231 61.3943 33.7802 173.4808 102 Y 5.0741 9.1690 130.6348 56.7690 40.1353 174.5330 103 L 4.5951 8.9041 128.8131 52.9627 41.0886 174.5516 104 E 3.4075 7.9643 123.7263 56.0979 30.1506 175.9372 105 T 4.6140 8.2744 123.2949 61.2099 72.0879 173.8359 106 T 4.1136 8.1807 115.7957 61.5760 71.0451 175.8215 107 I 3.7516 8.3039 123.4571 64.3159 37.1626 178.5436 108 E 3.9628 8.1090 118.1978 59.5232 29.2303 179.3378 109 K 3.9936 7.7253 118.1640 58.9304 32.1588 179.0744 110 Q 4.1419 7.9916 117.4370 58.8621 28.7572 178.2742 111 L 4.0805 8.0736 120.0390 57.8162 43.1289 179.3394 112 A 4.3743 7.7381 120.2138 50.1787 15.8436 176.4994 *128 P 4.1048 0.0000 0.0000 61.5847 32.9131 176.7718 129 P 4.3529 0.0000 0.0000 65.0947 31.7606 178.4390 130 R 3.9239 8.2669 118.6680 59.7679 29.8464 178.2707 131 E 4.0091 8.0464 117.7298 59.2668 29.1808 179.6401 132 V 3.5867 7.7926 118.4925 66.0128 31.5363 178.0499 133 L 4.0949 7.7639 117.9186 57.2225 41.5937 179.1075 134 E 3.9585 8.2061 118.8592 59.3697 29.2826 179.1360 135 A 4.0173 7.8661 120.4235 54.9231 18.3959 179.4941 136 L 3.8961 7.7541 118.7887 58.2185 42.1119 179.0637 137 A 4.1353 8.4100 121.1640 55.3278 18.1148 179.3916 138 N 4.2654 8.1706 113.9865 55.8467 38.5649 176.8932 139 E 4.1401 7.5315 120.0908 59.0136 30.3862 178.2452 140 R 3.7905 8.3205 118.1881 58.5867 30.2028 178.4755 141 N 4.5150 8.3683 116.7773 56.1810 38.5990 175.6002 142 P 4.3135 0.0000 0.0000 65.1873 31.4980 178.7189 143 L 3.9029 7.4011 117.7675 57.6781 41.4260 178.8102 144 Y 4.0275 7.2919 116.6143 61.0874 37.4475 178.4200 145 E 4.0633 7.8399 118.3903 59.2824 29.6089 178.8637 146 E 4.1258 8.1543 117.1932 58.6822 29.6596 178.3071 147 I 4.3041 7.0258 109.6627 59.3189 38.5393 175.5921 148 A 4.2194 7.3480 125.2214 52.7878 18.6532 177.1328 149 D 4.7917 9.0476 123.3563 55.5598 42.4426 177.4493 150 V 4.5643 7.6695 117.3640 61.5450 35.3045 173.6366 151 T 5.0297 8.6449 123.3851 61.8881 71.0075 173.2781 152 I 4.1670 8.3014 128.9236 61.8578 41.0146 175.3394 *158 S 4.4050 9.0572 118.1057 59.3707 64.7912 176.1245 159 A 3.8996 8.4219 120.4310 54.4351 19.0785 179.5930 160 K 3.8622 8.0643 116.5871 59.7476 32.1254 179.4517 161 V 3.5268 7.6503 117.6368 65.9530 31.5295 178.0552 162 V 3.6696 7.7435 117.7163 66.0827 31.5243 177.8328 163 A 3.9780 8.9506 121.5133 55.1711 18.0836 179.2725 164 N 4.3105 8.1715 115.0463 56.1207 38.6567 177.7624 165 Q 3.9218 8.0078 119.6248 58.8444 28.7352 178.7393 166 I 3.6929 7.8635 120.8471 64.4023 37.3307 178.4946 167 I 3.7008 7.5789 120.2533 64.9447 36.7922 178.3824 168 H 4.3897 8.4392 115.7277 58.7292 28.5224 177.1203 169 M 4.2370 8.0104 119.3968 57.5152 32.2134 177.1279 170 L 4.3330 7.8978 116.8027 53.6592 42.1901 176.4339 171 E 4.1289 7.6301 123.4096 56.9209 30.2545 174.3254 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 3 E 8.44 4.35 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 2.21 2.34 0.00 4 K 7.93 4.42 0.00 1.77 1.71 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.49 7.81 5 R 8.29 4.30 0.00 1.78 1.76 0.00 3.20 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 6 N 8.44 4.68 0.00 2.18 2.21 0.00 0.00 6.60 7.29 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 7 I 8.36 4.64 1.89 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 0.73 0.94 0.00 0.00 8 F 8.86 5.61 0.00 3.00 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 9 L 9.25 5.04 0.00 1.69 1.68 1.08 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 10 V 10.23 4.77 2.26 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 0.85 0.00 0.00 1.08 0.00 0.00 11 G 8.19 3.77 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 0.00 0.00 0.00 12 P 0.00 4.52 0.00 2.41 2.36 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 13 M 8.36 4.10 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 14 G 8.96 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 15 A 7.08 4.16 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 16 G 8.19 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 17 K 8.29 3.95 0.00 1.89 1.98 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.57 1.53 7.81 18 S 8.13 4.41 0.00 4.15 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 19 T 7.78 3.72 4.19 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 1.19 0.00 0.00 20 I 8.21 3.82 1.95 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 1.42 0.98 0.90 0.00 0.00 21 G 8.25 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.15 3.32 0.00 1.66 1.68 0.00 2.96 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 23 Q 7.70 3.91 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 24 L 7.96 3.90 0.00 1.92 1.85 0.95 1.11 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 25 A 8.25 4.04 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.15 3.98 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 27 Q 8.07 4.08 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 28 L 7.58 4.51 0.00 1.71 1.68 0.93 0.94 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 29 N 7.66 4.16 0.00 2.87 2.89 0.00 0.00 6.76 7.33 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 30 M 8.20 4.82 0.00 2.03 2.02 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 2.75 2.51 0.00 31 E 8.66 4.51 0.00 2.13 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 2.31 2.31 0.00 32 F 8.54 5.42 0.00 2.94 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 33 Y 7.88 4.37 0.00 2.82 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 34 D 8.25 5.12 0.00 2.58 2.45 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 0.00 35 S 9.16 4.10 0.00 4.02 4.06 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 0.00 0.00 0.00 36 D 8.19 4.40 0.00 2.96 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 37 Q 8.71 4.03 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 38 E 8.63 3.94 0.00 2.17 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 2.25 2.38 0.00 39 I 7.91 3.66 2.07 0.00 0.00 0.55 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 0.50 0.90 0.00 0.00 40 E 8.45 4.66 0.00 2.18 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 2.60 2.54 0.00 41 K 8.22 3.99 0.00 1.85 2.01 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.50 7.81 42 R 8.21 4.08 0.00 1.79 1.95 0.00 3.15 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 43 T 8.00 4.33 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 1.27 0.00 0.00 44 G 8.61 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 45 A 7.88 4.82 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 46 D 8.64 4.98 0.00 3.07 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 47 V 9.10 3.92 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 1.25 0.00 0.00 1.12 0.00 0.00 48 G 8.19 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 49 W 8.21 4.21 0.00 3.62 3.28 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 50 V 8.09 3.77 2.51 0.00 0.00 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 0.00 0.00 1.12 0.00 0.00 51 F 8.50 4.06 0.00 3.16 2.70 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 52 D 8.03 4.32 0.00 2.68 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 53 L 8.20 4.21 0.00 1.88 2.04 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.85 4.32 0.00 2.26 2.03 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 2.36 2.49 0.00 55 G 8.35 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 56 E 8.33 4.26 0.00 2.20 1.99 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 2.46 2.57 0.00 57 E 8.33 4.04 0.00 2.10 1.99 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 2.40 2.43 0.00 58 G 8.15 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 0.00 0.00 0.00 59 F 8.47 3.84 0.00 2.84 2.72 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 60 R 8.39 3.92 0.00 2.01 1.98 0.00 3.46 0.00 0.00 3.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.89 0.00 61 D 8.23 4.24 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 62 R 7.69 3.73 0.00 1.76 1.69 0.00 2.90 0.00 0.00 2.90 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.46 0.00 63 E 7.91 3.57 0.00 1.44 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 2.21 2.22 0.00 64 E 8.47 3.95 0.00 2.07 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 2.28 2.52 0.00 65 K 7.81 3.87 0.00 1.78 1.88 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.37 7.81 66 V 7.79 3.47 2.05 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 0.96 0.00 0.00 0.82 0.00 0.00 67 I 7.86 3.55 1.74 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 0.39 0.69 0.00 0.00 68 N 7.73 4.17 0.00 2.82 2.92 0.00 0.00 7.24 7.21 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 69 E 8.03 4.04 0.00 2.13 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 2.26 2.39 0.00 70 L 8.00 3.77 0.00 1.50 1.52 0.81 0.60 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 71 T 7.76 4.22 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 0.63 0.00 0.00 72 E 7.68 4.17 0.00 2.07 2.03 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 2.33 2.55 0.00 73 K 7.18 4.29 0.00 1.79 1.76 0.00 1.29 0.00 0.00 1.39 0.00 0.00 2.62 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.28 7.81 74 Q 8.13 4.70 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 75 G 8.84 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 76 I 8.42 5.13 2.26 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.13 1.11 0.00 0.00 77 V 9.11 4.87 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 1.15 0.00 0.00 1.02 0.00 0.00 78 L 9.39 5.24 0.00 1.95 1.83 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 79 A 9.08 5.13 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.80 5.05 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 1.18 0.00 0.00 81 G 8.77 4.11 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 0.00 82 G 8.92 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.12 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.87 4.44 0.00 4.05 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 85 V 7.72 4.01 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 0.82 0.00 0.00 0.58 0.00 0.00 86 K 7.85 3.95 0.00 1.89 1.88 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.45 7.81 87 S 7.69 4.36 0.00 3.96 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 88 R 8.62 3.87 0.00 1.89 1.90 0.00 3.22 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 89 E 8.10 3.92 0.00 1.98 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 2.38 2.33 0.00 90 T 7.66 3.80 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 91 R 8.06 3.91 0.00 2.02 1.97 0.00 3.22 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 92 N 8.37 4.44 0.00 2.80 2.86 0.00 0.00 7.09 7.18 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 93 R 8.27 3.89 0.00 1.97 1.90 0.00 3.07 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 94 L 8.29 3.86 0.00 1.82 1.85 0.90 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 95 S 7.96 4.06 0.00 3.90 3.98 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 96 A 7.96 4.34 1.41 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 0.00 0.00 0.00 97 R 7.82 4.56 0.00 2.16 2.23 0.00 3.29 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 98 G 6.89 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.73 4.17 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 0.96 0.00 0.00 0.87 0.00 0.00 100 V 9.56 4.56 2.35 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 1.07 0.00 0.00 1.10 0.00 0.00 101 V 8.94 4.81 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 1.01 0.00 0.00 0.96 0.00 0.00 102 Y 9.17 5.07 0.00 3.01 2.93 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 0.00 103 L 8.90 4.60 0.00 1.49 1.54 0.93 0.75 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 0.00 104 E 7.96 3.41 0.00 1.26 1.65 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 2.19 2.12 0.00 105 T 8.27 4.61 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 1.19 0.00 0.00 106 T 8.18 4.11 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 1.19 0.00 0.00 107 I 8.30 3.75 1.88 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 1.72 0.62 0.92 0.00 0.00 108 E 8.11 3.96 0.00 2.19 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 2.36 2.40 0.00 109 K 7.73 3.99 0.00 1.95 1.90 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.61 7.81 110 Q 7.99 4.14 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.93 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 111 L 8.07 4.08 0.00 1.84 1.79 0.92 0.98 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 0.00 112 A 7.74 4.37 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 *128 P 0.00 4.10 0.00 2.21 2.05 0.00 3.60 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 129 P 0.00 4.35 0.00 2.20 2.30 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 130 R 8.27 3.92 0.00 1.87 2.05 0.00 3.13 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 1.73 1.75 0.00 131 E 8.05 4.01 0.00 1.93 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 2.45 2.46 0.00 132 V 7.79 3.59 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 1.01 0.00 0.00 0.91 0.00 0.00 133 L 7.76 4.09 0.00 1.86 1.72 0.93 0.98 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 0.00 134 E 8.21 3.96 0.00 2.14 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 2.49 2.61 0.00 135 A 7.87 4.02 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 0.00 136 L 7.75 3.90 0.00 1.95 1.79 0.91 1.11 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 0.00 137 A 8.41 4.14 1.45 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 0.00 0.00 0.00 138 N 8.17 4.27 0.00 2.88 2.90 0.00 0.00 6.98 7.15 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 0.00 139 E 7.53 4.14 0.00 1.89 2.05 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 2.21 2.29 0.00 140 R 8.32 3.79 0.00 1.93 1.25 0.00 3.25 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 141 N 8.37 4.51 0.00 2.90 3.01 0.00 0.00 6.92 8.75 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 0.00 142 P 0.00 4.31 0.00 2.09 2.07 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 143 L 7.40 3.90 0.00 1.36 1.47 0.80 0.83 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 0.00 144 Y 7.29 4.03 0.00 2.15 1.43 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 0.00 145 E 7.84 4.06 0.00 2.10 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 0.00 2.60 2.67 0.00 146 E 8.15 4.13 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 2.40 2.30 0.00 147 I 7.03 4.30 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.72 0.96 0.00 0.00 148 A 7.35 4.22 1.46 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 0.00 149 D 9.05 4.79 0.00 2.73 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 0.00 150 V 7.67 4.56 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 1.03 0.00 0.00 0.95 0.00 0.00 151 T 8.64 5.03 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 1.05 0.00 0.00 152 I 8.30 4.17 1.81 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 1.26 0.99 0.88 0.00 0.00 *158 S 9.06 4.41 0.00 4.00 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 0.00 159 A 8.42 3.90 1.29 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 0.00 0.00 0.00 160 K 8.06 3.86 0.00 1.82 1.86 0.00 1.53 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.74 7.81 161 V 7.65 3.53 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 1.00 0.00 0.00 0.93 0.00 0.00 162 V 7.74 3.67 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 0.92 0.00 0.00 0.93 0.00 0.00 163 A 8.95 3.98 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 0.00 164 N 8.17 4.31 0.00 2.86 2.64 0.00 0.00 6.92 7.28 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 0.00 165 Q 8.01 3.92 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.59 0.00 166 I 7.86 3.69 2.01 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 1.52 0.73 0.92 0.00 0.00 167 I 7.58 3.70 2.03 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 1.53 1.04 0.96 0.00 0.00 168 H 8.44 4.39 0.00 3.17 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 M 8.01 4.24 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 170 L 7.90 4.33 0.00 1.65 1.68 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 171 E 7.63 4.13 0.00 2.17 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 2.26 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.