NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2072 8.3144 121.7901 55.7181 33.3443 175.1119 2 E 3.8375 8.7305 127.4470 54.4106 30.1480 175.6826 3 T 4.1501 8.7841 118.7016 61.4216 71.9785 174.6928 4 A 4.0136 8.5315 123.4115 55.3197 18.5798 179.9497 5 A 4.1502 8.0135 118.6498 55.3030 18.5164 179.6023 6 A 4.0262 8.1436 119.4183 55.1051 18.3670 179.7826 7 K 4.0506 8.3536 118.3563 59.4778 32.1828 178.8193 8 F 4.1002 8.4420 120.9902 61.4448 39.3597 176.9967 9 E 4.0549 8.3379 117.8342 59.3519 29.0181 179.3955 10 R 3.8663 7.9341 117.8365 59.6361 30.2907 178.3159 11 Q 3.9591 8.0648 116.7437 58.0726 28.9675 176.3868 12 H 4.6582 8.0880 114.6283 54.1828 31.8011 173.4691 13 M 4.6723 7.8261 118.7160 53.9124 33.0484 176.9554 14 D 4.7569 8.9554 123.6860 53.2392 41.3853 175.7270 15 S 4.4057 8.9750 117.4230 61.1720 63.8050 177.2109 16 S 4.2051 7.3863 114.3704 61.0371 64.3754 174.4398 17 T 4.3144 7.3228 113.5936 60.3801 67.7356 174.5942 *19 A 3.9988 8.3967 122.2238 51.3590 20.8484 175.8401 20 A 3.3127 7.7547 124.9847 51.6411 17.8714 180.9203 *22 S 4.2101 8.9450 118.3463 59.8858 62.8095 173.9997 23 S 4.2490 8.7996 122.5896 60.6567 63.2347 174.2603 24 N 4.7608 7.8124 117.8087 53.6745 38.9407 175.5781 25 Y 4.0166 8.0449 119.1515 61.4427 38.7332 177.5636 26 C 4.0748 8.4221 117.1704 60.0717 38.5762 175.8618 27 N 4.4220 8.2049 117.4632 56.5730 38.1144 177.3459 28 Q 3.7908 7.8014 118.8230 59.0144 28.8412 178.5296 29 M 3.7052 7.6528 121.2602 58.0840 31.8265 178.7696 30 M 3.9951 8.0679 119.0197 57.9085 31.9258 178.8966 31 K 4.3084 7.7393 121.2047 58.9294 32.0919 179.1511 32 S 4.1645 8.1566 114.4386 60.9556 62.5156 175.4692 33 R 4.3708 7.8128 119.5603 55.0235 30.1966 175.7206 34 N 4.2194 7.9954 114.9729 54.7869 36.6865 174.7871 35 L 4.5835 8.1879 115.9426 54.8812 42.6379 177.9236 36 T 4.9511 7.6260 107.1822 60.0293 69.4429 173.0496 37 K 4.5297 8.0166 123.2337 57.3632 33.1732 175.3946 38 D 5.0868 10.5642 129.8717 54.5157 39.2241 174.1838 39 R 3.7050 6.8622 111.6732 55.0861 31.7847 174.0564 40 C 4.7609 8.4537 116.6853 55.7124 40.7689 173.6909 41 K 4.2089 8.5330 126.7800 55.6470 32.1761 174.3496 42 P 4.6932 0.0000 0.0000 65.3907 32.0241 176.4388 43 V 5.0341 7.5788 116.3768 61.3560 34.6704 173.6719 44 N 4.7694 8.9450 123.7326 52.9581 42.8768 172.9960 45 T 4.8488 7.6648 118.4427 61.6160 72.7671 172.6809 46 F 4.8587 8.9264 124.2401 55.6329 42.0463 174.5190 47 V 4.4794 9.2773 124.0402 61.7844 33.3306 175.5740 48 H 5.7036 8.9716 123.3337 55.1949 30.0403 175.0406 49 E 4.4409 8.1384 118.5817 55.2368 30.5547 176.9745 50 S 4.3736 8.2940 114.9236 58.2674 65.0733 174.9223 51 L 4.0061 8.5400 124.3681 58.2881 41.8506 179.1851 52 A 3.9992 7.9780 120.2607 55.3885 18.1768 179.2143 53 D 4.3223 7.9235 116.1981 57.3785 41.1588 178.9747 54 V 3.7714 7.9198 118.8387 66.1776 31.7551 178.2127 55 Q 3.9151 8.6886 117.8791 58.7413 28.4276 178.5805 56 A 4.0171 8.0271 121.6557 54.6073 18.2853 179.6167 57 V 3.3926 7.6171 116.9909 65.9407 31.2736 176.8289 58 C 3.7159 7.6435 114.2190 57.7176 39.8790 174.0143 59 S 4.6858 7.5139 114.5220 57.9376 63.9281 174.3708 60 Q 4.0877 7.1804 120.5399 56.1299 30.3519 178.4862 61 K 4.3008 8.4262 134.5580 56.8004 32.7192 174.8134 62 N 4.3786 8.7839 127.6400 53.6536 39.7177 174.3177 63 V 4.5975 8.5414 118.3939 59.3183 36.8013 174.7725 64 A 4.3704 8.3808 124.5305 52.1509 19.2418 178.3777 65 C 4.7123 8.7201 118.9592 55.6680 41.4494 175.1486 66 K 3.8015 8.7501 122.9558 59.6412 31.7005 177.4183 67 N 4.5693 8.0380 113.0418 53.0059 37.4368 175.6151 68 G 3.9608 8.0045 108.6802 45.6189 0.0000 174.3759 69 Q 4.1719 8.4008 119.0750 56.4705 29.1786 176.6976 70 T 4.4888 8.3210 108.3507 61.6679 69.2269 174.0962 71 N 4.9896 7.8186 119.1277 53.6166 38.6649 174.8738 72 C 5.3280 7.4795 115.2970 56.8447 43.9565 172.7146 73 Y 5.1840 8.9785 118.8195 56.4164 42.1478 173.8570 74 Q 5.0418 9.1699 125.3086 54.1327 31.2990 174.8948 75 S 4.4419 8.7574 121.9568 58.6282 63.1923 174.2789 76 Y 4.5262 9.3273 121.7334 60.7524 37.9161 176.5786 77 S 5.0568 7.8328 113.8499 56.8135 65.2863 174.5241 78 T 4.1348 8.2688 111.8220 62.0212 69.9233 173.6481 79 M 4.9157 9.1228 122.0628 53.2854 36.6867 174.8114 80 S 4.8690 9.3743 117.6942 58.5479 63.6244 173.1058 81 I 5.2130 9.0677 120.3589 59.5635 41.9508 174.2000 82 T 5.0799 8.8318 118.1492 62.0541 72.3067 173.0105 83 D 5.0657 9.3778 127.4556 53.4472 42.8402 174.8145 84 C 5.5670 9.4744 121.3451 55.1933 42.1052 173.0125 85 R 5.1744 8.7689 123.4997 54.1214 33.0738 173.8829 86 E 4.1570 9.3745 128.4719 56.7419 30.2183 177.0343 87 T 4.2113 8.2492 117.1614 61.0912 69.8434 174.4617 88 G 3.7880 8.4807 109.3524 47.1515 0.0000 174.3957 89 S 4.7004 7.3938 113.3794 57.7915 63.3908 174.1488 90 S 4.2612 8.0389 115.2578 58.6260 62.9525 173.3783 91 K 4.5272 8.2175 124.9865 54.9970 34.8381 175.1224 92 Y 4.3135 8.6267 125.4460 56.7243 39.3057 173.9305 93 P 3.0737 0.0000 0.0000 64.0956 31.9711 176.9623 94 N 4.6054 7.3009 118.0810 52.0626 36.8541 172.7163 95 C 4.3276 8.1735 117.3776 56.4896 42.5104 172.9310 96 A 5.0790 8.7724 126.7908 50.3575 21.0050 174.8864 97 Y 5.1776 9.6973 119.6610 55.9974 42.2508 174.8340 98 K 4.5907 9.1328 123.3725 55.3661 34.2323 175.1048 99 T 4.9850 8.5862 124.1038 62.7643 70.2847 174.4108 100 T 4.5728 8.7564 122.1444 61.7907 72.0519 173.5381 101 Q 4.6531 8.8323 125.6109 56.1521 29.8365 175.2845 102 A 4.5327 8.6329 122.4951 51.5142 23.6583 175.2777 103 N 5.3293 8.6806 115.5334 51.7629 41.1647 174.0971 104 K 4.7535 8.7586 122.1546 54.6691 37.6488 175.6549 105 H 5.0147 9.3246 119.1636 55.8923 29.9905 174.8614 106 I 4.8775 8.5839 114.5671 59.1953 40.8290 174.3318 107 I 4.8597 8.3212 124.7049 59.7321 39.9251 175.0847 108 V 4.8117 8.7030 119.4584 59.3683 36.2458 174.3773 109 A 5.0091 8.8056 125.1399 51.1036 20.5689 175.6561 110 C 5.1035 8.7265 119.8090 55.3130 40.9348 172.9971 111 E 4.7298 8.7940 121.2067 56.7202 33.8207 175.7116 112 G 3.8403 9.1248 111.3102 44.8180 0.0000 171.5975 113 N 5.0903 8.2599 116.0940 50.5921 40.6792 172.2473 114 P 4.3076 0.0000 0.0000 62.8819 31.8643 176.0009 115 Y 4.9259 8.3035 121.6927 57.3038 38.4158 174.4531 116 V 4.4081 7.9943 118.6527 58.1220 36.7779 173.2371 117 P 4.4884 0.0000 0.0000 62.9647 31.1814 177.0933 118 V 4.5000 8.5352 115.1305 61.0529 33.8106 175.0991 119 H 4.9658 7.8837 119.5897 55.0801 33.4120 171.8499 120 F 4.6954 8.7306 128.1169 57.0868 39.3999 174.5648 121 D 4.5148 8.5815 127.5124 56.1254 41.9276 175.8817 122 A 4.3613 6.3139 119.0512 52.0255 21.4566 174.4253 123 S 5.1540 8.6794 113.4343 56.7210 65.6923 174.7598 124 V 4.0530 8.9001 116.1616 61.6897 32.2288 175.3882 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 1 K 8.31 4.21 0.00 1.74 1.79 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.45 7.81 2 E 8.73 3.84 0.00 2.06 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 0.00 2.32 2.38 0.00 3 T 8.78 4.15 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 4 A 8.53 4.01 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 5 A 8.01 4.15 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.14 4.03 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 7 K 8.35 4.05 0.00 1.88 2.04 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 8 F 8.44 4.10 0.00 3.27 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 9 E 8.34 4.05 0.00 2.31 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 2.53 2.67 0.00 10 R 7.93 3.87 0.00 1.81 2.09 0.00 3.36 0.00 0.00 3.22 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 11 Q 8.06 3.96 0.00 1.59 1.50 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 2.25 2.45 0.00 12 H 8.09 4.66 0.00 1.99 2.64 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.83 4.67 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.72 0.00 14 D 8.96 4.76 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.98 4.41 0.00 3.93 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 16 S 7.39 4.21 0.00 3.99 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 17 T 7.32 4.31 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 1.17 0.00 0.00 *19 A 8.40 4.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.75 3.31 0.31 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 *22 S 8.95 4.21 0.00 3.92 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 23 S 8.80 4.25 0.00 4.05 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.81 4.76 0.00 2.89 2.83 0.00 0.00 6.64 7.44 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 25 Y 8.04 4.02 0.00 3.16 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 26 C 8.42 4.07 0.00 3.13 3.06 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 27 N 8.20 4.42 0.00 3.04 2.93 0.00 0.00 7.14 7.74 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 28 Q 7.80 3.79 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 29 M 7.65 3.71 0.00 0.81 1.26 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.41 0.00 30 M 8.07 4.00 0.00 1.68 1.83 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.37 0.00 31 K 7.74 4.31 0.00 1.75 1.94 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.30 7.81 32 S 8.16 4.16 0.00 4.01 4.03 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 0.00 0.00 0.00 33 R 7.81 4.37 0.00 1.91 2.12 0.00 3.64 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.02 0.00 34 N 8.00 4.22 0.00 2.88 2.91 0.00 0.00 6.80 7.40 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 35 L 8.19 4.58 0.00 1.80 1.62 0.79 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.63 4.95 4.41 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 1.42 0.00 0.00 37 K 8.02 4.53 0.00 1.79 1.78 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.52 7.81 38 D 10.56 5.09 0.00 2.83 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 39 R 6.86 3.70 0.00 1.74 1.67 0.00 2.88 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 40 C 8.45 4.76 0.00 3.07 3.12 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 41 K 8.53 4.21 0.00 1.84 1.78 0.00 1.77 0.00 0.00 1.60 0.00 0.00 3.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.41 7.81 42 P 0.00 4.69 0.00 2.14 2.12 0.00 3.62 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 43 V 7.58 5.03 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 0.79 0.00 0.00 0.97 0.00 0.00 44 N 8.95 4.77 0.00 2.62 2.25 0.00 0.00 6.85 7.96 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 45 T 7.66 4.85 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 0.96 0.00 0.00 46 F 8.93 4.86 0.00 3.01 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 47 V 9.28 4.48 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.01 0.00 0.00 48 H 8.97 5.70 0.00 3.19 3.27 0.00 5.68 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 49 E 8.14 4.44 0.00 2.01 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 2.36 2.28 0.00 50 S 8.29 4.37 0.00 4.07 4.02 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 51 L 8.54 4.01 0.00 1.83 1.74 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.98 4.00 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.92 4.32 0.00 2.85 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 54 V 7.92 3.77 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 1.21 0.00 0.00 1.10 0.00 0.00 55 Q 8.69 3.92 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 56 A 8.03 4.02 1.38 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 57 V 7.62 3.39 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 0.98 0.00 0.00 0.98 0.00 0.00 58 C 7.64 3.72 0.00 2.82 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 0.00 0.00 0.00 0.00 59 S 7.51 4.69 0.00 3.89 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 60 Q 7.18 4.09 0.00 1.63 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.03 0.00 0.00 0.00 0.00 0.00 1.67 2.12 0.00 61 K 8.43 4.30 0.00 2.09 1.91 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.50 7.81 62 N 8.78 4.38 0.00 2.75 2.66 0.00 0.00 7.00 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 63 V 8.54 4.60 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.84 0.00 0.00 64 A 8.38 4.37 1.19 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 0.00 0.00 0.00 65 C 8.72 4.71 0.00 3.09 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 66 K 8.75 3.80 0.00 1.83 1.86 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.39 7.81 67 N 8.04 4.57 0.00 2.83 2.88 0.00 0.00 6.25 7.00 0.00 0.00 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 G 8.00 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 69 Q 8.40 4.17 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 70 T 8.32 4.49 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 1.18 0.00 0.00 71 N 7.82 4.99 0.00 3.09 3.16 0.00 0.00 6.09 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 72 C 7.48 5.33 0.00 3.03 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 73 Y 8.98 5.18 0.00 2.75 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 74 Q 9.17 5.04 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 75 S 8.76 4.44 0.00 3.92 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 76 Y 9.33 4.53 0.00 2.98 2.96 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 77 S 7.83 5.06 0.00 3.80 3.81 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 78 T 8.27 4.13 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 79 M 9.12 4.92 0.00 1.95 2.00 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 2.54 2.48 0.00 80 S 9.37 4.87 0.00 3.92 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 81 I 9.07 5.21 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.82 0.98 0.00 0.00 82 T 8.83 5.08 4.46 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 1.37 0.00 0.00 83 D 9.38 5.07 0.00 2.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.47 5.57 0.00 2.83 2.88 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 85 R 8.77 5.17 0.00 1.90 1.78 0.00 3.14 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 86 E 9.37 4.16 0.00 1.93 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 2.15 1.99 0.00 87 T 8.25 4.21 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 1.24 0.00 0.00 88 G 8.48 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 89 S 7.39 4.70 0.00 3.97 3.89 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 90 S 8.04 4.26 0.00 3.82 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 91 K 8.22 4.53 0.00 1.91 1.84 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.38 7.81 92 Y 8.63 4.31 0.00 2.91 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 93 P 0.00 3.07 0.00 1.81 1.26 0.00 3.62 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 94 N 7.30 4.61 0.00 2.75 2.79 0.00 0.00 6.99 8.94 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 95 C 8.17 4.33 0.00 3.16 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 96 A 8.77 5.08 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.70 5.18 0.00 2.89 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 98 K 9.13 4.59 0.00 1.90 1.81 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.49 7.81 99 T 8.59 4.99 4.33 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 0.00 0.00 0.00 1.32 0.00 0.00 100 T 8.76 4.57 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 1.24 0.00 0.00 101 Q 8.83 4.65 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 102 A 8.63 4.53 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 0.00 103 N 8.68 5.33 0.00 2.56 2.74 0.00 0.00 6.67 7.61 0.00 0.00 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 K 8.76 4.75 0.00 1.74 1.94 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 H 9.32 5.01 0.00 3.15 3.23 0.00 5.57 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.58 4.88 1.81 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 1.29 1.00 1.13 0.00 0.00 107 I 8.32 4.86 1.75 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 1.15 0.74 0.80 0.00 0.00 108 V 8.70 4.81 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 0.72 0.00 0.00 0.80 0.00 0.00 109 A 8.81 5.01 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 0.00 110 C 8.73 5.10 0.00 2.07 1.69 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 0.00 111 E 8.79 4.73 0.00 2.02 1.70 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 2.23 2.31 0.00 112 G 9.12 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.26 5.09 0.00 2.65 2.70 0.00 0.00 6.91 7.69 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 0.00 114 P 0.00 4.31 0.00 2.22 2.05 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 115 Y 8.30 4.93 0.00 2.81 2.91 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 0.00 116 V 7.99 4.41 1.93 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 0.78 0.00 0.00 0.89 0.00 0.00 117 P 0.00 4.49 0.00 0.49 1.00 0.00 3.29 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 118 V 8.54 4.50 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 0.59 0.00 0.00 0.95 0.00 0.00 119 H 7.88 4.97 0.00 3.28 3.13 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.73 4.70 0.00 2.69 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 0.00 121 D 8.58 4.51 0.00 2.61 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 0.00 122 A 6.31 4.36 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 0.00 123 S 8.68 5.15 0.00 4.07 4.10 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 0.00 124 V 8.90 4.05 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 0.72 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.