NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.2810 8.4293 121.4689 55.8917 31.5048 176.3984 7 T 4.1737 7.5610 107.2564 61.2142 69.9285 172.6047 8 A 4.5332 7.1863 123.2403 50.9926 22.7416 176.7630 9 N 4.6060 8.5491 117.7009 52.6728 38.3175 174.3639 10 V 4.6086 8.1614 118.6999 61.1777 33.5896 174.4868 11 L 4.8843 8.9264 127.9170 52.6950 44.6407 175.5404 12 K 3.8604 8.6626 124.9275 55.8666 33.3334 175.9790 13 L 4.4531 8.4197 128.2029 53.0420 42.2644 177.2872 14 E 3.9130 8.8641 125.0875 58.8219 29.6543 178.3339 15 T 4.3074 7.7418 106.3905 61.1854 69.3081 174.8190 16 G 3.9104 7.6001 111.8647 45.8162 0.0000 173.1480 17 S 4.6197 8.3427 111.6303 58.0802 65.1459 175.4498 18 V 3.5668 8.5429 111.0297 64.5081 31.3803 176.9398 19 T 4.3433 7.7278 107.3603 62.2011 69.1635 175.7169 20 S 4.2211 7.8798 118.6175 60.8367 62.9501 174.5670 21 A 4.3080 7.7726 123.7991 50.9736 19.0310 176.7946 22 K 4.1174 8.6063 122.0854 57.9072 32.6019 177.1838 23 G 3.8560 9.0274 111.1897 45.6952 0.0000 172.7110 24 F 5.2548 7.5826 117.3771 55.8732 41.0711 175.3943 25 S 5.0376 9.0282 117.4874 57.1750 67.4643 172.6453 26 A 5.1516 8.7868 122.2009 51.4926 23.0893 175.4573 27 V 4.7158 8.6827 117.1254 61.1768 35.0778 172.7014 28 G 4.6920 8.6582 108.0090 44.8107 0.0000 171.5192 29 I 4.8913 9.1908 115.6395 59.2453 42.0699 173.6845 30 H 5.0252 8.8369 122.3086 54.9629 29.9718 174.1257 31 T 4.1486 9.1521 118.1167 61.5122 69.4993 175.8449 32 G 3.9735 8.1172 109.0332 45.1609 0.0000 174.7118 33 V 3.6801 7.3956 119.6101 65.3987 31.7070 176.6610 34 K 4.4429 8.2199 119.9509 55.7633 33.2578 177.8977 35 R 4.1948 8.6178 119.6860 58.8465 29.7293 178.6445 36 K 4.3320 7.8650 114.1309 57.6592 34.7329 177.3764 37 R 4.2615 7.7238 115.3109 55.3791 30.7764 176.6170 38 K 4.2416 9.1210 120.6397 57.4956 32.6756 177.4302 39 D 4.9238 9.2227 118.6599 52.2711 42.4552 174.1982 40 L 5.0539 7.8763 121.3956 54.1343 45.7391 174.7071 41 G 4.7800 9.3592 111.8577 45.4695 0.0000 171.1460 42 A 5.3058 9.2581 120.5475 50.3801 23.4217 175.1335 43 I 4.6708 8.0106 120.1448 59.5418 39.9884 175.2690 44 V 4.7811 8.6745 118.8239 59.5948 34.8236 173.9198 45 C 4.8432 8.5982 123.2987 57.2282 33.6490 174.7002 46 E 4.1496 8.9548 123.9251 58.3554 30.1566 176.9454 47 V 4.3628 6.7768 110.1926 58.1853 35.3011 173.4143 48 P 4.0014 0.0000 0.0000 63.0344 31.7078 175.5470 49 A 4.6858 8.5702 126.7371 49.6971 21.4535 175.9762 50 S 4.5565 8.8073 118.7359 59.4553 63.4094 174.2153 51 S 4.8970 9.1091 119.6741 56.7938 66.3619 173.4319 52 A 4.7219 8.4745 123.9062 50.8204 22.2035 175.1015 53 A 4.4959 8.0133 120.6078 51.1257 22.0754 176.2359 54 V 4.5634 7.4454 111.7307 59.8519 35.6684 174.9692 55 Y 4.8108 8.5278 118.1612 56.1353 41.9695 175.0220 56 T 4.0741 8.6462 116.9001 63.0882 67.6770 173.7552 57 L 4.4002 8.5902 127.1813 54.6010 42.0498 176.6811 58 N 4.3268 7.7756 118.2109 53.9159 39.1032 175.2007 59 K 4.0107 8.6674 124.1791 58.1891 32.5063 176.9459 60 V 4.1283 8.4275 119.4909 61.3080 31.3502 174.8594 61 Q 4.5803 8.2872 125.6889 53.4921 32.0133 175.6199 62 A 4.0698 8.5024 124.8650 51.7910 19.4076 177.8147 63 A 3.9458 8.2967 123.9053 55.1019 18.3224 178.9308 64 P 4.1919 0.0000 0.0000 65.5597 31.2638 178.5193 65 L 4.0625 7.7286 119.0600 57.6388 41.4887 179.1774 66 K 3.7824 7.7106 119.5797 59.3993 32.1330 179.0289 67 V 3.4931 7.4547 117.9622 66.2682 31.5215 177.9148 68 T 3.9619 8.2345 115.8035 66.7952 68.3078 176.5334 69 Q 4.1835 8.0168 121.1840 58.5202 28.4862 178.8906 70 E 4.0271 8.1664 118.4114 59.3962 29.8899 179.2803 71 S 4.3973 8.2916 115.1311 62.0050 63.0015 177.0079 72 I 3.8519 8.0802 121.9828 64.2406 36.5850 178.3854 73 A 4.0792 8.0881 120.9082 54.6105 18.1524 179.6805 74 V 3.7134 7.6138 116.3405 65.6757 31.8662 176.6380 75 E 4.5949 7.8218 113.0876 54.9235 31.4367 176.2123 76 G 4.0167 8.7252 107.4393 46.1473 0.0000 173.4461 77 K 5.0537 7.9528 116.5331 54.2806 36.1335 175.6214 78 L 4.9662 8.5931 120.9383 53.3972 46.0751 176.8545 79 Q 4.4728 9.3457 117.9474 55.9494 31.6074 174.7866 80 A 4.9631 7.2891 118.8660 50.5182 22.8941 174.1519 *82 I 4.5304 8.2371 114.7845 61.6581 39.0299 175.4090 83 V 5.5548 9.3566 125.9529 60.1046 35.1930 173.7071 84 N 5.6303 8.8832 124.3071 51.1351 40.1161 173.3409 85 S 5.0072 9.0729 114.4570 57.5509 66.5624 173.6887 86 G 4.1374 9.1310 110.1184 45.8956 0.0000 174.3548 87 I 4.8167 7.3053 118.7420 59.2752 40.3640 175.2539 88 A 4.0110 8.8433 128.8643 52.9217 19.2371 176.4368 89 N 4.0564 7.9942 113.9903 54.8754 37.5939 173.0382 90 A 4.8073 7.3043 118.7391 51.5570 22.1074 176.3733 91 C 4.1711 8.6202 117.1791 61.5728 25.9115 174.0101 92 T 4.3039 7.8414 106.1671 60.3163 70.0557 175.1046 93 G 3.9401 8.0197 110.9640 46.5114 0.0000 175.3806 94 K 3.9617 8.7046 118.3534 59.5589 32.2046 179.3632 95 R 3.9942 8.1525 118.6998 59.4693 30.0373 178.5312 96 G 4.0672 8.4077 106.9988 46.7182 0.0000 175.4492 97 L 3.8649 7.9740 122.6031 58.0182 42.0972 178.5645 98 D 4.6083 8.5246 119.2733 57.7922 40.5782 178.7236 99 D 4.3699 8.2436 117.8930 57.3693 40.9058 178.4283 100 A 4.1223 7.8976 120.1336 55.3899 18.5686 178.9524 101 Y 4.4484 7.9823 115.2329 61.3713 37.8244 179.7159 102 T 4.2441 8.1843 115.2699 63.8188 68.4726 176.3362 *104 R 4.2299 8.0253 122.5934 56.4347 32.1294 177.2885 105 A 4.1500 8.3383 119.7416 55.2715 18.3045 179.8341 106 V 3.8591 8.2364 117.1088 65.8215 31.5440 178.5778 107 G 3.5719 8.1035 105.0585 47.6576 0.0000 175.3713 108 A 4.1201 8.2284 123.3532 54.8824 18.1979 179.5501 109 E 3.9050 8.2251 117.0347 59.9406 29.3276 179.7719 110 T 3.7257 7.8742 115.6021 66.1515 68.2656 175.8787 111 F 4.9077 7.8705 116.0642 56.3309 40.5428 175.0866 112 H 4.0793 7.8106 118.1082 56.8825 28.2666 172.8389 113 I 4.7394 7.7286 111.3335 58.2241 41.5523 173.8749 114 P 4.2596 0.0000 0.0000 62.4446 31.9193 177.5630 115 E 4.0146 8.9043 121.4565 59.9478 29.4913 178.7660 116 H 4.5703 8.0930 111.3070 57.2900 29.1032 175.1162 117 Y 4.7325 7.9996 118.3121 58.0762 37.9700 174.3403 118 V 4.9769 7.9794 120.8452 61.1269 33.1908 174.7541 119 A 4.9855 8.9991 130.0526 50.6121 21.2272 176.2565 120 V 4.8532 8.3109 112.0699 60.3728 36.1061 174.6584 121 T 4.7068 8.8619 117.3717 61.6439 71.4952 171.9598 122 S 5.4193 8.3081 117.5102 56.8995 67.3576 173.8305 123 T 4.4828 8.0681 115.0382 59.9307 70.3789 171.4602 124 G 3.9696 8.7066 116.5621 44.5643 0.0000 173.9561 125 V 3.6607 8.3330 126.0612 62.6693 31.9792 175.4974 126 I 4.0893 8.1379 128.1969 62.2417 37.7692 175.8561 127 G 3.8547 8.8627 113.6594 45.2641 0.0000 173.6584 128 E 3.9804 7.4964 119.7271 55.5498 30.3618 176.0685 129 F 4.5841 8.2626 124.1800 56.7246 39.9996 175.5516 130 L 4.2064 8.4541 124.1818 54.1503 42.2876 175.5063 131 P 4.5193 0.0000 0.0000 62.4698 32.8919 176.6435 *133 D 4.5123 8.5146 118.2815 54.6087 42.9971 178.4509 134 V 3.5611 7.7571 117.5671 66.0284 31.4860 178.0130 135 I 3.7366 7.9304 119.8254 64.6294 36.8765 178.6152 136 T 3.8837 7.8318 110.1701 64.8898 68.4642 176.1137 137 N 4.4157 8.0650 118.6377 55.8520 38.8428 177.2506 138 G 3.7836 8.1974 107.0758 47.9140 0.0000 175.6433 139 I 3.7299 8.0469 122.8706 64.2767 36.9546 178.7601 140 R 4.0045 7.5081 118.2783 57.9707 29.9191 178.1499 141 Q 4.3639 7.6556 116.0236 55.2028 29.3383 175.9752 142 L 4.2245 7.3081 121.5980 54.8689 42.0193 177.5742 143 K 4.6441 8.3324 122.9319 53.2224 32.5426 173.5421 144 P 4.5264 0.0000 0.0000 62.4630 32.3520 175.9094 145 E 4.6759 8.9256 120.4728 54.6919 33.4461 176.1595 146 A 4.6344 8.3602 126.5291 51.1389 17.8391 177.0976 147 T 4.7639 7.1038 112.9776 58.3978 74.0740 174.8480 148 I 3.7380 8.2709 121.3900 64.2543 37.9486 178.0231 149 E 4.0878 8.2322 119.3354 59.2034 29.3131 179.1506 150 G 3.7206 8.4188 105.7660 47.9432 0.0000 175.5145 151 A 4.1327 7.9663 122.8323 55.2617 18.3526 179.5309 152 H 4.4119 8.8427 115.8786 58.3040 28.7870 177.8553 153 A 4.0237 8.3985 122.8953 55.0910 18.0071 179.3363 154 F 4.1467 8.2458 118.0682 61.6051 39.8017 176.5395 155 N 4.2465 8.4430 116.6065 56.5320 38.8250 176.3313 156 E 3.8749 8.4156 120.6552 59.2444 29.5532 178.5347 157 A 4.3896 7.9883 120.5247 53.2592 18.4938 178.3481 158 I 4.0443 6.7459 109.2877 59.9235 38.6370 176.1412 159 L 4.3515 7.0300 120.7944 54.8919 43.2741 175.8559 160 T 4.1811 9.0305 110.2414 62.3728 69.4511 174.8749 161 T 4.1843 8.8489 112.2629 61.4393 70.4274 175.5633 162 D 4.4300 7.9382 122.3563 55.5564 41.2231 176.6502 163 T 4.3415 8.3569 111.4405 62.5437 69.9273 175.0792 164 V 4.5213 7.2506 113.3612 59.2523 35.3510 174.5761 165 E 4.1103 8.4833 121.2587 56.6175 30.2204 176.6593 166 K 4.5079 9.2198 119.7409 55.7125 35.4166 175.2603 167 H 5.5089 8.7507 121.4614 54.3850 32.0983 173.3979 168 T 4.7084 8.7360 114.0943 61.5088 71.5861 172.1392 169 C 5.1149 8.0290 123.1038 58.8891 35.1475 172.0736 170 Y 5.2312 9.3760 123.7675 56.3574 41.8355 174.5126 171 Q 5.1223 9.2366 120.4306 55.0142 33.4729 174.6304 172 T 4.8560 8.8412 115.2818 61.5507 71.4266 171.4980 173 I 5.0787 8.3080 121.5922 59.5545 40.1157 175.8007 174 V 4.2758 8.6160 125.9416 62.2141 33.9152 175.0696 175 N 4.2642 9.9384 124.8666 54.4214 36.0619 175.3568 176 G 3.9288 8.3665 103.4342 45.6716 0.0000 174.1641 177 K 4.4730 7.9927 120.1677 54.8463 33.6710 175.7929 178 T 4.5445 8.3954 119.8214 63.5508 69.0920 173.9455 179 V 4.4257 8.9714 127.5877 61.3463 33.8821 174.3847 180 T 5.0766 8.5807 123.7445 61.6909 71.5162 173.4838 181 V 4.2809 9.1976 126.0432 61.1590 33.8123 174.6115 182 G 4.4721 8.4647 114.3730 44.8010 0.0000 171.5536 183 G 4.3451 8.6381 105.7079 45.4090 0.0000 172.7044 184 V 5.2086 8.2907 112.6368 59.6224 35.6985 174.5260 185 A 4.8754 8.5994 123.2445 50.8269 22.5821 175.4959 186 K 4.6416 8.9714 116.8906 54.7182 35.7998 174.8363 187 G 4.0847 7.9771 111.1302 44.8535 0.0000 172.4243 188 S 4.4489 8.2945 115.8051 58.6476 67.2193 173.7368 189 G 3.7179 7.7351 108.9279 43.3848 0.0000 171.6902 *191 I 3.8713 8.0186 125.9607 61.6736 37.7340 176.4073 192 H 4.8393 8.1319 123.9759 54.6412 31.0352 170.9768 193 P 4.4796 0.0000 0.0000 62.3950 32.7439 176.2471 194 N 4.6816 8.4543 121.1519 52.1267 42.3134 173.8674 *196 A 4.2341 8.6243 127.1976 52.2348 19.2243 175.9925 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 6 E 8.43 4.28 0.00 1.91 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 2.18 2.36 0.00 7 T 7.56 4.17 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 1.21 0.00 0.00 8 A 7.19 4.53 1.22 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 0.00 0.00 0.00 9 N 8.55 4.61 0.00 2.86 2.85 0.00 0.00 5.83 7.68 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 10 V 8.16 4.61 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 0.89 0.00 0.00 0.93 0.00 0.00 11 L 8.93 4.88 0.00 1.61 1.52 0.93 0.83 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 12 K 8.66 3.86 0.00 1.52 1.52 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.04 0.37 7.81 13 L 8.42 4.45 0.00 1.55 1.52 0.87 0.80 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 14 E 8.86 3.91 0.00 1.91 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 2.24 2.20 0.00 15 T 7.74 4.31 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 1.18 0.00 0.00 16 G 7.60 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 17 S 8.34 4.62 0.00 3.84 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 18 V 8.54 3.57 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 0.68 0.00 0.00 0.88 0.00 0.00 19 T 7.73 4.34 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 1.32 0.00 0.00 20 S 7.88 4.22 0.00 3.97 3.96 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 21 A 7.77 4.31 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 22 K 8.61 4.12 0.00 1.79 1.78 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 23 G 9.03 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 24 F 7.58 5.25 0.00 2.97 2.89 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 25 S 9.03 5.04 0.00 3.64 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 26 A 8.79 5.15 1.10 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 0.00 0.00 27 V 8.68 4.72 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 0.74 0.00 0.00 1.02 0.00 0.00 28 G 8.66 4.69 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 0.00 0.00 0.00 29 I 9.19 4.89 1.91 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 1.28 1.32 0.97 0.00 0.00 30 H 8.84 5.03 0.00 3.09 3.29 0.00 5.91 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 9.15 4.15 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 1.21 0.00 0.00 32 G 8.12 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 0.00 0.00 0.00 33 V 7.40 3.68 2.19 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 0.80 0.00 0.00 0.93 0.00 0.00 34 K 8.22 4.44 0.00 1.99 1.73 0.00 2.05 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.38 7.81 35 R 8.62 4.19 0.00 1.83 1.84 0.00 3.21 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 1.22 0.00 36 K 7.87 4.33 0.00 1.90 1.76 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.32 0.99 7.81 37 R 7.72 4.26 0.00 1.79 1.85 0.00 3.20 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 38 K 9.12 4.24 0.00 1.78 1.84 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.51 7.81 39 D 9.22 4.92 0.00 2.89 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 40 L 7.88 5.05 0.00 1.76 1.51 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 G 9.36 4.78 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 42 A 9.26 5.31 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 43 I 8.01 4.67 1.54 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.36 0.84 0.00 0.00 44 V 8.67 4.78 1.76 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 -0.26 0.00 0.00 0.69 0.00 0.00 45 C 8.60 4.84 0.00 2.50 2.50 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 46 E 8.95 4.15 0.00 1.99 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 2.25 2.17 0.00 47 V 6.78 4.36 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 0.66 0.00 0.00 0.79 0.00 0.00 48 P 0.00 4.00 0.00 1.77 1.42 0.00 3.58 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.29 0.00 49 A 8.57 4.69 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 50 S 8.81 4.56 0.00 3.76 3.83 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 0.00 0.00 0.00 51 S 9.11 4.90 0.00 3.68 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 52 A 8.47 4.72 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 53 A 8.01 4.50 0.87 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 54 V 7.45 4.56 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 0.73 0.00 0.00 0.81 0.00 0.00 55 Y 8.53 4.81 0.00 3.00 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 56 T 8.65 4.07 4.28 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 1.26 0.00 0.00 57 L 8.59 4.40 0.00 1.77 1.70 0.94 1.33 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 58 N 7.78 4.33 0.00 2.73 2.75 0.00 0.00 7.14 6.07 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 59 K 8.67 4.01 0.00 1.79 1.85 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.43 7.81 60 V 8.43 4.13 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 0.77 0.00 0.00 0.93 0.00 0.00 61 Q 8.29 4.58 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.50 0.00 62 A 8.50 4.07 1.25 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 0.00 0.00 63 A 8.30 3.95 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 64 P 0.00 4.19 0.00 2.43 2.32 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 65 L 7.73 4.06 0.00 1.91 1.72 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.71 3.78 0.00 1.68 1.88 0.00 1.61 0.00 0.00 1.55 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.41 7.81 67 V 7.45 3.49 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 0.97 0.00 0.00 0.23 0.00 0.00 68 T 8.23 3.96 4.60 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 1.40 0.00 0.00 69 Q 8.02 4.18 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 70 E 8.17 4.03 0.00 2.20 2.11 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 2.40 2.55 0.00 71 S 8.29 4.40 0.00 4.14 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.78 0.00 0.00 6.88 8.15 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 90 A 7.30 4.81 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 91 C 8.62 4.17 0.00 3.05 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 92 T 7.84 4.30 4.42 0.00 0.00 0.00 0.00 0.00 0.00 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 93 G 8.02 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 0.00 0.00 0.00 94 K 8.70 3.96 0.00 1.91 1.85 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.59 7.81 95 R 8.15 3.99 0.00 1.84 2.11 0.00 2.85 0.00 0.00 2.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 96 G 8.41 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 0.00 0.00 0.00 0.00 97 L 7.97 3.86 0.00 1.81 1.90 0.68 1.38 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 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 0.00 124 G 8.71 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 0.00 0.00 0.00 125 V 8.33 3.66 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 1.00 0.00 0.00 0.91 0.00 0.00 126 I 8.14 4.09 1.83 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 1.32 0.62 0.86 0.00 0.00 127 G 8.86 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 0.00 0.00 0.00 128 E 7.50 3.98 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 2.29 2.32 0.00 129 F 8.26 4.58 0.00 3.14 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 0.00 130 L 8.45 4.21 0.00 1.70 1.64 0.96 1.07 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 0.00 131 P 0.00 4.52 0.00 2.23 2.19 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 *133 D 8.51 4.51 0.00 2.76 2.79 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 0.00 134 V 7.76 3.56 2.24 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 1.09 0.00 0.00 0.93 0.00 0.00 135 I 7.93 3.74 1.89 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 1.80 0.85 0.94 0.00 0.00 136 T 7.83 3.88 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 0.00 137 N 8.07 4.42 0.00 2.80 2.92 0.00 0.00 7.03 7.80 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 0.00 138 G 8.20 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 0.00 139 I 8.05 3.73 1.98 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 1.57 0.78 0.83 0.00 0.00 140 R 7.51 4.00 0.00 1.85 1.95 0.00 3.09 0.00 0.00 3.04 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 141 Q 7.66 4.36 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 142 L 7.31 4.22 0.00 1.85 1.88 1.10 0.94 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 0.00 143 K 8.33 4.64 0.00 1.75 1.76 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.40 7.81 144 P 0.00 4.53 0.00 1.99 1.93 0.00 3.79 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.16 0.00 145 E 8.93 4.68 0.00 1.99 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 2.23 2.43 0.00 146 A 8.36 4.63 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 0.00 147 T 7.10 4.76 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 1.22 0.00 0.00 148 I 8.27 3.74 1.86 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 1.58 1.11 0.87 0.00 0.00 149 E 8.23 4.09 0.00 2.11 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 2.42 0.00 150 G 8.42 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 0.00 151 A 7.97 4.13 1.47 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 0.00 152 H 8.84 4.41 0.00 3.22 3.41 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.40 4.02 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 154 F 8.25 4.15 0.00 3.15 3.32 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 0.00 155 N 8.44 4.25 0.00 2.96 3.02 0.00 0.00 6.90 7.27 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 0.00 156 E 8.42 3.87 0.00 2.26 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 2.29 2.31 0.00 157 A 7.99 4.39 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 0.00 158 I 6.75 4.04 1.69 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.56 0.28 0.00 0.00 159 L 7.03 4.35 0.00 1.65 1.60 0.89 0.67 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 0.00 160 T 9.03 4.18 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 0.00 161 T 8.85 4.18 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 0.00 162 D 7.94 4.43 0.00 2.64 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 0.00 163 T 8.36 4.34 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 1.20 0.00 0.00 164 V 7.25 4.52 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 0.75 0.00 0.00 0.93 0.00 0.00 165 E 8.48 4.11 0.00 2.06 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 2.37 2.34 0.00 166 K 9.22 4.51 0.00 1.73 1.66 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.52 7.81 167 H 8.75 5.51 0.00 2.98 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 T 8.74 4.71 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 1.31 0.00 0.00 169 C 8.03 5.11 0.00 2.88 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 0.00 170 Y 9.38 5.23 0.00 2.88 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 0.00 171 Q 9.24 5.12 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.46 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 172 T 8.84 4.86 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 1.22 0.00 0.00 173 I 8.31 5.08 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.07 0.93 0.00 0.00 174 V 8.62 4.28 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 1.02 0.00 0.00 0.93 0.00 0.00 175 N 9.94 4.26 0.00 2.85 2.86 0.00 0.00 7.16 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 0.00 176 G 8.37 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 0.00 177 K 7.99 4.47 0.00 1.85 1.72 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.54 7.81 178 T 8.40 4.54 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 0.00 179 V 8.97 4.43 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 1.07 0.00 0.00 0.94 0.00 0.00 180 T 8.58 5.08 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 1.23 0.00 0.00 181 V 9.20 4.28 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 0.98 0.00 0.00 0.93 0.00 0.00 182 G 8.46 4.47 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 0.00 183 G 8.64 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 0.00 184 V 8.29 5.21 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 0.76 0.00 0.00 1.16 0.00 0.00 185 A 8.60 4.88 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 0.00 186 K 8.97 4.64 0.00 2.03 1.66 0.00 1.50 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 187 G 7.98 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 0.00 188 S 8.29 4.45 0.00 3.77 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 0.00 189 G 7.74 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 *191 I 8.02 3.87 1.88 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 1.31 0.85 0.91 0.00 0.00 192 H 8.13 4.84 0.00 3.03 3.17 0.00 5.93 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 P 0.00 4.48 0.00 1.94 1.95 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 194 N 8.45 4.68 0.00 2.80 2.63 0.00 0.00 6.99 8.08 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 *196 A 8.62 4.23 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 * Residues marked with a * may have inaccurate shift predictions.