NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.1754 8.5445 116.7540 55.5219 31.7951 176.6965 3 E 4.1041 8.6259 121.3918 54.8600 30.1341 177.3592 4 A 4.6051 8.3212 127.2564 50.5781 21.2137 176.0574 5 V 4.3870 8.7686 118.4863 59.9708 34.0631 174.7910 6 L 5.0168 8.6567 125.2038 53.2290 43.1492 176.1816 7 T 4.3585 8.5819 114.4412 61.5869 70.4806 174.7853 8 G 4.0488 7.2747 108.9815 45.1761 0.0000 171.9040 9 V 5.1077 8.4067 119.8011 61.0003 34.0038 174.8371 10 A 4.8315 8.9207 127.8828 50.5618 22.1463 175.2572 11 T 5.0849 8.5434 112.5406 60.4732 71.9956 173.8721 12 D 4.6257 8.7337 122.0019 52.7911 45.0140 175.6629 13 K 4.9950 8.6552 128.3418 56.9127 32.4682 176.6067 14 S 4.8400 9.7882 115.8237 59.1974 64.7064 173.2963 15 E 5.2837 8.1557 117.3816 54.6588 32.8453 174.8038 16 A 4.8701 8.9260 122.5097 50.1522 22.1160 175.7345 17 K 4.7718 8.0381 119.4772 55.1266 35.1715 175.4522 18 V 4.8013 8.1136 123.2447 61.3221 34.9129 174.2481 19 T 4.9311 8.6264 122.5688 61.8110 72.3991 172.9563 20 V 4.2810 9.0090 127.4751 61.5473 32.9750 174.4383 21 L 4.7524 9.0298 129.5990 53.7083 43.3520 177.1497 22 G 4.0656 8.8883 111.5881 46.7987 0.0000 173.3411 23 I 4.6672 7.6945 112.2653 59.1085 40.3457 176.4640 24 S 4.3997 8.7326 121.0890 58.8454 63.2449 175.0477 25 D 4.7865 8.6567 128.4598 53.8835 38.3904 175.6645 26 K 4.7309 7.8412 122.2052 51.4267 36.2731 174.5936 27 P 4.3712 0.0000 0.0000 64.0171 31.5267 176.7325 28 G 4.1514 9.0353 110.1587 45.8715 0.0000 175.6697 29 E 4.1335 8.1920 119.0793 59.1844 29.5514 178.7700 30 A 4.0388 8.1248 120.2152 55.2514 18.4593 179.1327 31 A 4.0856 8.1920 118.6406 55.5371 18.1562 179.8273 32 K 4.0048 7.8275 115.5209 59.4861 31.9841 179.6846 33 V 3.4732 7.4007 117.4718 66.1596 31.4246 178.1019 34 F 4.2170 7.7520 116.7325 59.7969 38.8828 178.0723 35 R 3.9336 8.5894 119.0392 59.1929 29.4351 178.2526 36 A 4.0046 7.7241 120.4634 55.4216 18.3250 179.7102 37 L 4.0428 7.7302 117.2646 57.5693 41.5564 179.6065 38 A 3.9876 8.5068 121.3807 55.3360 18.1418 179.3523 39 D 4.3435 8.4917 116.3761 57.0459 40.8368 177.8006 40 A 4.4121 7.4429 118.3690 51.0649 20.1062 177.5641 41 E 3.6301 7.9278 116.5688 58.5028 28.8883 176.6609 42 I 4.1318 7.8683 120.4356 60.3204 37.7933 176.1498 43 N 4.4813 8.7150 125.7138 53.1715 38.6958 174.3510 44 I 4.1879 8.1118 119.4508 61.0876 39.5337 173.4024 45 D 4.7299 8.9236 120.1981 55.4591 43.1122 176.2342 46 M 4.4161 7.3782 116.1723 55.4216 34.0539 176.1681 47 V 5.1426 8.2190 121.0118 61.3230 35.3333 174.4955 48 L 4.6642 9.1659 128.6066 53.8821 45.6979 174.3024 49 Q 4.8958 8.5745 126.7155 53.8541 31.8797 173.9002 50 N 4.7823 8.7041 124.9267 51.5266 40.9859 174.3032 51 V 3.7555 8.0933 113.4214 61.3429 32.0204 176.7939 52 S 4.4842 8.3726 118.1671 57.8033 63.8715 174.3355 53 S 4.3493 8.2914 116.8129 58.2546 63.5721 175.6116 54 V 3.6038 8.4003 124.1104 66.5838 31.7592 178.2063 55 E 4.1536 8.1996 114.6822 59.1227 29.7903 180.0631 56 D 4.4753 7.9126 118.1141 54.7027 41.4182 177.6649 57 G 3.9419 8.1763 107.0343 46.3246 0.0000 172.6522 58 T 5.1589 7.5858 108.2959 59.8661 72.8627 171.9244 59 T 5.0937 9.0581 116.1554 60.8676 71.6101 171.5284 60 D 5.3699 8.5759 122.4202 52.4496 44.0434 175.4236 61 I 4.8589 8.2164 123.3913 59.8826 39.7906 174.6735 62 T 5.2359 9.0911 123.9726 61.7312 71.5957 173.2457 63 F 5.6163 9.0370 120.1157 55.5761 42.1269 173.5343 64 T 5.4941 8.7558 109.9187 60.0044 71.8299 172.6674 65 C 5.0235 8.2272 114.8929 56.8561 32.9180 171.3821 66 P 4.7186 0.0000 0.0000 63.0542 31.7312 177.6000 67 R 3.9413 8.7825 122.0761 59.6812 29.7945 179.0837 68 S 4.1137 8.0715 110.9878 61.7096 62.6430 175.4198 69 D 4.8031 8.1908 118.9863 54.7588 40.9015 178.7406 70 G 3.9549 8.2610 109.6115 47.2656 0.0000 175.9328 71 R 3.4739 7.9138 120.7631 59.1229 30.2044 178.5037 72 R 3.9037 7.9543 117.7208 59.1269 30.0868 178.1791 73 A 4.0729 8.0675 120.9280 55.3120 18.3451 179.4422 74 M 3.9472 7.9309 117.1766 58.4965 31.8466 178.7991 75 E 3.9287 8.1149 118.5468 59.4747 29.1469 179.5117 76 I 3.7162 7.7217 119.6126 64.4571 37.2347 178.5907 77 L 4.2804 8.0077 119.7355 57.7667 41.4994 179.4560 78 K 3.9727 8.3057 118.6037 59.6843 31.8219 179.2979 79 K 3.9059 7.5954 116.9465 59.6425 32.1031 179.2442 80 L 3.9285 7.4110 116.6752 57.1913 41.8766 179.0104 81 Q 3.4602 7.8858 120.1256 58.2757 29.9937 176.6991 82 V 3.9344 7.1977 119.7422 62.7039 28.4640 174.7199 *85 N 4.3072 7.9168 116.8974 51.0227 41.1555 176.1072 86 W 5.0869 6.7566 117.8003 55.5700 31.9571 176.5731 87 T 4.1360 9.0356 117.1777 66.1952 68.4427 174.4457 88 N 4.9807 7.7981 116.9536 53.6751 42.7077 172.3801 89 V 4.9266 8.4129 121.7026 61.1339 34.1301 174.5466 90 L 4.8820 9.1727 127.7870 53.3810 44.5951 174.8208 91 Y 5.2203 8.3669 121.6406 55.9818 42.3821 173.2336 92 D 4.7216 8.4957 125.9894 52.4228 43.0491 175.8147 93 D 3.9855 8.4856 126.3160 56.1629 42.0753 175.8811 94 Q 4.9898 7.9878 118.5608 54.0280 29.1759 175.5681 95 V 4.4866 7.8752 117.9501 60.7662 33.3836 176.1908 96 G 4.2876 9.2963 110.4113 44.3716 0.0000 171.8068 97 K 5.2838 8.8145 121.6359 54.2798 35.5263 175.2921 98 V 5.1305 8.6485 126.1614 60.1153 34.7605 174.7513 99 S 5.2911 8.9789 118.5401 56.8147 67.4695 172.5825 100 L 4.9795 9.1992 126.4494 53.7364 43.6669 175.0065 101 V 4.5213 8.5276 127.5483 61.4358 33.6232 174.3735 102 G 4.2659 8.5389 114.3579 46.6730 0.0000 171.7814 103 A 4.7355 8.8911 123.4935 51.3681 23.5423 177.4573 104 G 3.9620 8.8433 106.7486 46.7380 0.0000 175.9789 105 M 4.1372 7.8987 121.7230 57.4089 32.2886 178.9412 106 K 3.9152 8.1216 119.5647 59.2113 32.3785 177.4433 107 S 4.4669 7.5414 109.8160 59.0881 63.8078 173.9771 108 H 4.7982 7.7115 121.6344 52.9663 29.6580 171.5777 109 P 4.4707 0.0000 0.0000 64.6134 31.3312 177.6619 110 G 3.9441 8.4887 104.5963 47.9693 0.0000 175.5083 111 V 3.9391 7.7711 119.7166 66.3697 31.5635 178.2988 112 T 3.8761 7.9568 114.5851 66.4938 68.3907 176.1363 113 A 4.0510 8.1811 122.6741 55.6233 18.3651 179.6956 114 E 4.2345 9.1303 119.0254 58.5444 29.4493 179.3185 115 F 4.2470 8.9701 121.4521 61.8813 39.5750 177.1662 116 M 4.2982 8.4206 118.2302 58.4950 31.5014 178.7268 117 E 4.0068 8.5012 118.6842 58.9618 29.1112 179.0067 118 A 3.9590 8.2145 121.2731 55.4050 18.3968 179.8264 119 L 3.6846 7.6436 116.8010 57.4420 41.5286 179.7257 120 R 3.8667 8.0175 118.9260 59.5938 29.9450 178.0554 121 D 4.5693 8.1066 115.7381 55.6067 40.8165 177.1912 122 V 4.3188 6.9596 112.6922 60.9062 32.2554 174.7660 123 N 4.0845 8.0283 115.6116 54.3922 37.8565 173.7070 124 V 4.1386 7.7605 115.7699 60.7099 32.5615 174.5657 125 N 4.5117 8.6320 126.2808 53.2430 39.5720 173.7982 126 I 4.2816 8.2516 126.4225 60.5748 37.4706 175.2449 127 E 4.4012 8.8481 127.5432 57.8634 30.7094 176.7673 128 L 4.6768 7.6133 119.8014 53.7387 45.7464 174.4307 129 I 4.9984 8.2277 125.1294 59.7827 41.1915 175.3703 130 S 4.4361 9.1647 121.7218 57.8893 64.9548 172.8455 131 T 5.2314 8.2120 116.7808 60.3641 71.9566 172.3544 132 S 4.5038 8.7615 114.8434 57.5676 66.0419 174.7710 133 E 4.1386 8.8294 118.7566 58.9483 30.0818 178.6811 134 I 4.8035 7.6055 110.8486 59.9197 39.4453 175.4893 135 R 5.0506 7.7815 122.3098 55.4016 34.2542 173.4561 136 I 4.5502 8.6653 126.8447 59.6595 39.7279 174.5959 137 S 5.2638 8.4332 122.9079 56.7601 66.3860 173.9507 138 V 4.9877 8.6469 115.8416 59.9178 36.4504 174.1459 139 L 5.2006 8.6933 123.7963 53.5555 43.9198 175.8577 140 I 4.9094 8.7001 115.9653 59.0081 42.1391 174.4496 141 R 4.1480 8.5084 120.6077 56.2229 30.4908 177.4263 142 E 3.9192 8.9447 123.4115 59.9108 29.3078 178.8737 143 D 4.6036 8.0107 116.1076 56.0413 41.2697 176.9892 144 D 4.7089 8.1714 119.3616 54.1216 41.0339 177.9162 145 L 3.9021 7.6305 122.4243 58.1876 42.1744 178.0807 146 D 4.2737 8.1033 117.1181 57.4582 41.1555 177.9974 147 A 3.9515 8.0101 120.3021 55.0601 18.3810 179.1924 148 A 3.8233 8.2650 119.1937 55.2007 18.4858 179.6956 149 A 3.9100 8.1636 119.3149 55.5008 18.4584 179.8523 150 R 3.8115 8.3096 116.7329 59.5218 30.0807 179.1646 151 A 3.9262 7.9651 120.2969 55.1638 18.3799 179.7621 152 L 3.9845 7.9462 117.5281 58.1137 41.8123 179.2751 153 H 4.1466 8.8019 116.6820 58.9027 28.4297 177.4839 154 E 3.9051 8.2007 120.0344 59.3904 29.6028 178.3761 155 Q 3.8706 8.1539 118.7865 58.0207 29.1337 176.4292 156 F 4.7835 7.8446 115.0046 56.3250 40.1924 175.0938 157 Q 3.6206 8.2045 120.6259 57.0580 26.4707 174.3084 158 L 4.1072 7.7222 123.0477 55.1243 41.7845 176.8522 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 8.54 4.18 0.00 2.01 1.71 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 2.13 1.88 0.00 3 E 8.63 4.10 0.00 2.06 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 0.00 2.22 1.94 0.00 4 A 8.32 4.61 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 5 V 8.77 4.39 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 0.95 0.00 0.00 0.92 0.00 0.00 6 L 8.66 5.02 0.00 1.45 1.53 0.79 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.58 4.36 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 1.19 0.00 0.00 8 G 7.27 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 9 V 8.41 5.11 2.16 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 0.90 0.00 0.00 0.94 0.00 0.00 10 A 8.92 4.83 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 11 T 8.54 5.08 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 1.23 0.00 0.00 12 D 8.73 4.63 0.00 2.77 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.66 5.00 0.00 1.74 1.82 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.39 7.81 14 S 9.79 4.84 0.00 3.83 4.12 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 0.00 0.00 0.00 15 E 8.16 5.28 0.00 2.02 1.94 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 2.30 2.27 0.00 16 A 8.93 4.87 1.15 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 0.00 0.00 0.00 0.00 0.00 17 K 8.04 4.77 0.00 1.68 1.83 0.00 1.20 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.21 1.24 7.81 18 V 8.11 4.80 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 0.00 0.00 1.06 0.00 0.00 0.93 0.00 0.00 19 T 8.63 4.93 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 1.23 0.00 0.00 20 V 9.01 4.28 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.58 0.00 0.00 21 L 9.03 4.75 0.00 1.71 1.58 0.94 0.61 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 22 G 8.89 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 23 I 7.69 4.67 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.13 0.31 0.00 0.00 24 S 8.73 4.40 0.00 3.85 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 25 D 8.66 4.79 0.00 2.74 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 26 K 7.84 4.73 0.00 1.66 1.58 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.34 1.02 7.81 27 P 0.00 4.37 0.00 2.05 2.04 0.00 3.63 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 2.04 2.10 0.00 28 G 9.04 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.19 4.13 0.00 2.06 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 2.52 2.75 0.00 30 A 8.12 4.04 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 31 A 8.19 4.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.83 4.00 0.00 2.20 2.03 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.67 7.81 33 V 7.40 3.47 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 0.13 0.00 0.00 0.54 0.00 0.00 34 F 7.75 4.22 0.00 3.12 2.95 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 35 R 8.59 3.93 0.00 1.97 2.05 0.00 3.21 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 36 A 7.72 4.00 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 37 L 7.73 4.04 0.00 1.59 1.68 0.08 0.90 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 38 A 8.51 3.99 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 39 D 8.49 4.34 0.00 2.82 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 40 A 7.44 4.41 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 41 E 7.93 3.63 0.00 2.16 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 2.25 2.28 0.00 42 I 7.87 4.13 2.01 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 1.23 0.78 1.02 0.00 0.00 43 N 8.71 4.48 0.00 2.70 2.78 0.00 0.00 7.19 7.94 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 44 I 8.11 4.19 2.19 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 1.22 0.63 0.94 0.00 0.00 45 D 8.92 4.73 0.00 2.73 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 46 M 7.38 4.42 0.00 2.05 2.01 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 2.64 2.50 0.00 47 V 8.22 5.14 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 0.95 0.00 0.00 0.89 0.00 0.00 48 L 9.17 4.66 0.00 1.69 1.47 0.93 0.51 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 49 Q 8.57 4.90 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.62 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 50 N 8.70 4.78 0.00 2.72 2.72 0.00 0.00 7.23 7.71 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 51 V 8.09 3.76 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 52 S 8.37 4.48 0.00 4.10 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 53 S 8.29 4.35 0.00 4.08 4.04 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 54 V 8.40 3.60 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 0.94 0.00 0.00 55 E 8.20 4.15 0.00 2.03 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 2.23 1.90 0.00 56 D 7.91 4.48 0.00 2.68 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 57 G 8.18 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 58 T 7.59 5.16 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 1.30 0.00 0.00 59 T 9.06 5.09 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 1.21 0.00 0.00 60 D 8.58 5.37 0.00 2.63 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.22 4.86 1.72 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.70 1.02 0.00 0.00 62 T 9.09 5.24 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 1.20 0.00 0.00 63 F 9.04 5.62 0.00 3.37 3.23 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 64 T 8.76 5.49 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 1.21 0.00 0.00 65 C 8.23 5.02 0.00 3.12 3.31 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 66 P 0.00 4.72 0.00 2.36 2.06 0.00 3.70 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 2.26 2.16 0.00 67 R 8.78 3.94 0.00 1.89 2.04 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 68 S 8.07 4.11 0.00 3.88 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 69 D 8.19 4.80 0.00 2.83 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 70 G 8.26 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 0.00 0.00 0.00 71 R 7.91 3.47 0.00 1.85 1.90 0.00 3.15 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 72 R 7.95 3.90 0.00 1.92 1.92 0.00 3.24 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 73 A 8.07 4.07 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.93 3.95 0.00 1.85 1.89 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 1.81 2.19 0.00 75 E 8.11 3.93 0.00 2.18 1.98 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 2.29 2.50 0.00 76 I 7.72 3.72 1.91 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 1.54 1.20 0.95 0.00 0.00 77 L 8.01 4.28 0.00 1.98 1.94 1.01 1.14 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 78 K 8.31 3.97 0.00 2.02 1.90 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.65 7.81 79 K 7.60 3.91 0.00 1.83 1.85 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.62 7.81 80 L 7.41 3.93 0.00 1.71 1.36 1.05 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 81 Q 7.89 3.46 0.00 2.42 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.18 0.00 0.00 0.00 0.00 0.00 2.57 2.77 0.00 82 V 7.20 3.93 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 0.85 0.00 0.00 0.94 0.00 0.00 *85 N 7.92 4.31 0.00 1.62 1.42 0.00 0.00 7.09 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 86 W 6.76 5.09 0.00 3.44 3.16 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 87 T 9.04 4.14 4.39 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 1.25 0.00 0.00 88 N 7.80 4.98 0.00 2.80 2.64 0.00 0.00 7.07 7.71 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 89 V 8.41 4.93 2.16 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 0.95 0.00 0.00 1.12 0.00 0.00 90 L 9.17 4.88 0.00 1.61 1.55 0.98 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.37 5.22 0.00 2.90 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 92 D 8.50 4.72 0.00 2.59 2.31 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 93 D 8.49 3.99 0.00 2.43 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 7.99 4.99 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.65 0.00 0.00 0.00 0.00 0.00 2.19 2.03 0.00 95 V 7.88 4.49 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 0.68 0.00 0.00 0.95 0.00 0.00 96 G 9.30 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 0.00 0.00 0.00 0.00 97 K 8.81 5.28 0.00 1.82 1.76 0.00 1.58 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.37 7.81 98 V 8.65 5.13 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 0.99 0.00 0.00 99 S 8.98 5.29 0.00 3.79 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 0.00 100 L 9.20 4.98 0.00 2.03 1.55 0.65 0.21 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 0.00 101 V 8.53 4.52 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 0.86 0.00 0.00 0.92 0.00 0.00 102 G 8.54 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 0.00 0.00 0.00 0.00 103 A 8.89 4.74 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.84 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 0.00 0.00 0.00 105 M 7.90 4.14 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.38 0.00 106 K 8.12 3.92 0.00 1.74 1.90 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 107 S 7.54 4.47 0.00 4.15 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 0.00 108 H 7.71 4.80 0.00 3.26 3.15 0.00 5.59 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.47 0.00 2.23 2.11 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 110 G 8.49 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 0.00 111 V 7.77 3.94 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 0.92 0.00 0.00 0.79 0.00 0.00 112 T 7.96 3.88 4.38 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 1.20 0.00 0.00 113 A 8.18 4.05 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 0.00 0.00 114 E 9.13 4.23 0.00 2.23 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 2.30 2.36 0.00 115 F 8.97 4.25 0.00 3.46 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 0.00 116 M 8.42 4.30 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 3.09 0.00 117 E 8.50 4.01 0.00 2.14 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 2.33 2.44 0.00 118 A 8.21 3.96 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 0.00 119 L 7.64 3.68 0.00 1.72 1.87 0.60 1.11 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 0.00 120 R 8.02 3.87 0.00 1.96 2.12 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 121 D 8.11 4.57 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 6.96 4.32 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 0.63 0.00 0.00 1.00 0.00 0.00 123 N 8.03 4.08 0.00 2.74 2.81 0.00 0.00 6.90 8.35 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 0.00 124 V 7.76 4.14 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 0.80 0.00 0.00 0.97 0.00 0.00 125 N 8.63 4.51 0.00 2.71 2.70 0.00 0.00 7.19 7.94 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 0.00 126 I 8.25 4.28 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.98 0.00 0.00 127 E 8.85 4.40 0.00 2.02 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 2.29 2.25 0.00 128 L 7.61 4.68 0.00 1.67 1.44 0.92 0.96 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 0.00 129 I 8.23 5.00 1.85 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 0.80 0.83 0.00 0.00 130 S 9.16 4.44 0.00 3.81 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 0.00 131 T 8.21 5.23 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 1.03 0.00 0.00 132 S 8.76 4.50 0.00 3.90 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 0.00 133 E 8.83 4.14 0.00 1.92 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 2.38 2.29 0.00 134 I 7.61 4.80 1.91 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 1.06 1.97 0.88 0.00 0.00 135 R 7.78 5.05 0.00 1.86 1.69 0.00 3.00 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 136 I 8.67 4.55 1.20 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.42 -0.29 0.00 0.00 137 S 8.43 5.26 0.00 3.88 3.70 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 0.00 138 V 8.65 4.99 2.23 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 0.97 0.00 0.00 1.22 0.00 0.00 139 L 8.69 5.20 0.00 1.59 1.56 0.90 0.81 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 0.00 140 I 8.70 4.91 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 1.25 0.94 1.01 0.00 0.00 141 R 8.51 4.15 0.00 2.13 1.89 0.00 3.29 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 142 E 8.94 3.92 0.00 2.06 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 2.30 2.36 0.00 143 D 8.01 4.60 0.00 2.67 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 0.00 144 D 8.17 4.71 0.00 2.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.63 3.90 0.00 1.95 1.65 0.98 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.10 4.27 0.00 2.81 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 3.95 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 0.00 148 A 8.27 3.82 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 0.00 149 A 8.16 3.91 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 0.00 150 R 8.31 3.81 0.00 1.89 1.97 0.00 3.10 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 151 A 7.97 3.93 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 0.00 152 L 7.95 3.98 0.00 1.89 1.82 0.70 0.60 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 0.00 153 H 8.80 4.15 0.00 3.34 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 8.20 3.91 0.00 1.96 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 0.00 2.28 2.29 0.00 155 Q 8.15 3.87 0.00 1.88 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.51 0.00 0.00 0.00 0.00 0.00 1.96 1.16 0.00 156 F 7.84 4.78 0.00 3.17 2.98 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 0.00 157 Q 8.20 3.62 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 158 L 7.72 4.11 0.00 1.50 1.43 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.