NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3327 8.2493 123.5828 50.9831 19.9440 176.4982 2 P 4.2716 0.0000 0.0000 62.7008 31.7513 174.9530 3 Q 4.3105 8.5789 118.5434 57.0643 30.5064 176.7656 4 N 4.7439 7.3690 114.5661 50.8853 41.0974 174.8596 5 I 3.7021 8.1477 119.4891 64.2614 37.9523 177.8483 6 T 3.8481 7.8590 116.3608 66.5813 68.2177 176.3683 7 E 3.9605 8.5376 119.5357 59.2287 29.7904 178.9289 8 L 4.1341 7.9865 120.2254 58.4495 42.2840 178.0860 9 C 4.2376 8.5386 118.7764 59.9489 43.3066 175.6144 10 S 4.0466 7.9975 115.1762 60.7314 62.4440 175.4133 11 E 4.1711 7.9281 119.6666 55.9899 29.8091 175.6779 12 Y 4.7599 7.2595 118.8034 56.7036 40.7091 176.0191 *13 H 4.5235 8.7716 119.3430 55.5206 29.0313 174.5976 14 N 4.4494 8.9460 116.1861 54.9769 35.7425 173.8940 15 T 5.3910 7.2599 103.4040 60.2775 72.1339 172.5803 16 Q 4.5954 8.7002 118.8955 55.3451 32.6332 172.9878 17 I 4.7565 8.0914 120.5956 60.2435 38.8499 174.7786 18 Y 4.4182 8.8950 125.1500 56.6972 40.0068 174.9337 19 T 4.5035 8.5576 121.4910 63.1001 68.7747 174.0578 20 I 3.9012 9.0295 127.6255 62.0550 38.6155 176.8682 21 N 4.1432 7.7588 117.2273 53.1852 36.0679 172.6883 22 D 4.7247 7.7400 115.1840 52.8947 45.1450 174.6889 23 K 4.9098 8.3755 122.5377 55.7811 33.5149 176.6670 24 I 3.4514 8.1670 121.1180 61.1993 37.6841 176.1648 25 L 4.4146 8.3404 128.5900 57.7373 42.5247 177.0412 26 S 4.5914 7.6218 109.5188 56.6894 66.9236 172.2904 27 Y 4.8523 7.7446 121.2835 56.1434 41.4852 174.4234 28 T 4.5990 8.0624 122.7877 61.5968 72.5671 172.7689 29 E 5.0524 8.4063 121.8219 54.8780 33.4550 174.3949 30 S 4.7370 8.8153 115.0722 56.6675 65.8708 174.1660 31 L 4.5787 8.6319 124.7797 55.0828 41.3475 176.4520 32 A 4.0395 7.6269 123.9791 51.9087 18.8630 177.4158 33 G 3.8140 8.7962 113.0329 47.9797 0.0000 174.5070 34 K 3.9543 8.3334 122.7971 55.1149 30.5057 173.4652 35 R 4.7536 7.8695 116.8605 56.9071 30.8583 177.1160 36 E 5.0372 8.3958 118.4474 55.4232 28.2180 176.4144 37 M 5.1063 8.1431 120.1240 53.3407 35.8619 173.8539 38 A 5.0589 8.3357 119.1410 50.1905 22.7652 175.2521 39 I 5.1187 8.5033 121.1007 59.3764 41.3240 174.7016 40 I 5.0568 8.7600 119.3718 59.2357 41.1413 174.3217 41 T 5.1023 8.3248 112.6597 60.0402 72.5107 172.4493 42 F 5.2071 8.8674 122.1828 55.9142 42.7219 177.1962 43 K 3.9299 9.2470 122.3415 57.9035 31.4743 178.9892 44 N 4.5171 8.1916 113.7163 54.1764 37.3200 175.7097 45 G 3.9206 8.3710 107.8753 44.8239 0.0000 173.5449 46 A 3.9215 8.4440 122.5889 51.8982 19.5872 176.9903 47 T 4.8736 7.6745 117.4718 61.6677 71.6092 173.5117 48 F 5.3802 9.0578 123.9524 55.6997 43.6232 173.8002 49 Q 5.1660 9.2600 118.7794 54.5020 32.1984 174.3130 50 V 4.6206 8.3118 120.1687 61.1589 33.0903 175.1088 51 E 4.4328 9.0308 130.1615 56.6170 30.2720 178.0061 52 V 3.8816 8.3750 121.3936 61.5982 32.3561 175.2764 53 P 4.3727 0.0000 0.0000 62.3200 32.7379 176.7135 *61 Q 4.4127 8.5189 118.0226 56.0808 30.4332 174.3794 62 K 4.1209 8.1646 125.1911 60.2933 31.7452 181.9791 63 K 4.2519 8.0537 124.3455 59.5583 31.6280 180.8508 64 A 4.2773 7.8887 121.3040 54.9016 18.3544 179.7048 65 I 3.6848 7.9632 118.5285 64.6629 37.2101 178.3931 66 E 4.0038 8.0196 118.9643 59.4462 29.1960 179.5024 67 R 3.8870 8.1401 118.6890 59.4740 30.1539 178.0993 68 M 4.0136 8.2735 118.1827 58.8254 32.2559 178.3645 69 K 4.1081 8.1648 118.4654 59.5098 32.1716 178.9924 70 D 4.3713 8.1079 119.2261 57.7208 40.7191 179.0717 71 T 3.8537 8.1655 116.2305 66.5899 68.4711 176.7454 72 L 4.0424 8.0821 120.8962 57.7465 41.6145 179.3574 73 R 2.9278 7.7868 118.5016 59.4306 29.8762 178.4496 74 I 3.6068 7.6829 117.9528 63.7041 38.0150 177.6528 75 A 3.9518 8.3883 122.2645 55.2348 18.2936 178.6782 76 Y 4.0078 8.3260 118.3577 61.1953 38.6443 178.6723 77 L 3.7932 7.9570 118.6103 57.2038 41.7922 178.6364 78 T 4.2157 7.9432 107.3005 60.5798 69.3632 174.2667 79 E 3.6491 7.7769 119.5740 57.1910 27.5905 174.6260 80 A 4.1381 7.6834 119.9290 51.6785 20.2096 177.9340 81 K 4.2875 8.7234 124.4314 56.5027 33.8071 175.6820 82 V 3.9342 8.7820 128.7605 62.5154 32.5047 175.2662 83 E 4.4620 9.3668 131.1173 56.9221 29.7210 175.6503 84 K 5.1130 8.4856 117.1547 54.4514 37.1356 174.5802 85 L 5.0155 8.5497 121.8094 53.0758 45.1035 174.6426 86 C 5.0007 8.8221 123.9675 55.4184 44.1349 172.7637 87 V 4.8719 8.4282 118.7322 59.1317 36.0502 174.8329 88 W 5.0011 9.3961 124.7469 56.4528 29.8145 176.2734 89 N 4.8692 9.3296 122.9649 52.4368 37.6217 175.1689 90 N 4.9943 8.2203 115.1558 52.7410 37.5556 174.4823 91 K 4.7360 7.8308 116.6669 55.5441 36.1276 175.3877 92 T 4.8438 8.2256 116.9143 61.0078 71.3530 172.4707 93 P 4.4905 0.0000 0.0000 62.3332 32.3926 176.0141 94 N 4.9001 8.7989 118.2878 53.5342 40.0229 173.7233 95 S 5.2938 8.9659 117.1124 56.7085 64.7315 173.0962 96 I 4.2004 8.8910 128.9830 61.4584 36.8367 175.5851 97 A 4.1278 8.5712 128.8714 53.1429 20.3033 176.8221 98 A 4.5406 7.1792 114.1833 50.9738 22.6907 175.3147 99 I 5.0080 8.1811 119.3091 59.1851 41.4242 174.5030 100 S 4.9193 9.1639 122.6044 56.7943 66.3705 172.6785 101 M 5.0773 8.5795 119.9800 53.6045 35.2967 175.3292 102 A 4.2031 8.0863 123.7956 52.4387 19.5623 175.4477 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 A 8.25 4.33 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 2 P 0.00 4.27 0.00 2.44 2.08 0.00 3.78 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 2.01 2.09 0.00 3 Q 8.58 4.31 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 4 N 7.37 4.74 0.00 2.93 2.88 0.00 0.00 5.91 7.84 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 5 I 8.15 3.70 1.83 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 1.56 1.44 0.87 0.00 0.00 6 T 7.86 3.85 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 1.19 0.00 0.00 7 E 8.54 3.96 0.00 2.07 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 0.00 2.34 2.45 0.00 8 L 7.99 4.13 0.00 1.86 1.83 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.54 4.24 0.00 3.16 3.15 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 10 S 8.00 4.05 0.00 4.07 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 11 E 7.93 4.17 0.00 1.74 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 2.24 2.51 0.00 12 Y 7.26 4.76 0.00 3.07 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *13 H 8.77 4.52 0.00 2.84 2.94 0.00 7.32 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 14 N 8.95 4.45 0.00 3.16 3.11 0.00 0.00 6.48 7.05 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 15 T 7.26 5.39 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 1.00 0.00 0.00 16 Q 8.70 4.60 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.14 0.00 17 I 8.09 4.76 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.82 0.85 0.00 0.00 18 Y 8.90 4.42 0.00 2.85 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 19 T 8.56 4.50 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 20 I 9.03 3.90 1.68 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.29 0.02 0.00 0.00 21 N 7.76 4.14 0.00 2.82 2.79 0.00 0.00 6.48 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 22 D 7.74 4.72 0.00 2.91 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 23 K 8.38 4.91 0.00 1.94 1.85 0.00 1.20 0.00 0.00 2.36 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.47 1.49 7.81 24 I 8.17 3.45 2.09 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 1.10 0.68 0.87 0.00 0.00 25 L 8.34 4.41 0.00 1.69 1.80 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.62 4.59 0.00 3.69 3.80 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 0.00 0.00 0.00 27 Y 7.74 4.85 0.00 2.43 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 0.00 0.00 0.00 0.00 28 T 8.06 4.60 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 1.06 0.00 0.00 29 E 8.41 5.05 0.00 1.87 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 30 S 8.82 4.74 0.00 3.83 3.75 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 31 L 8.63 4.58 0.00 1.75 1.73 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.63 4.04 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 33 G 8.80 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 0.00 0.00 0.00 34 K 8.33 3.95 0.00 2.02 1.80 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.28 1.26 7.81 35 R 7.87 4.75 0.00 1.82 1.88 0.00 3.27 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 36 E 8.40 5.04 0.00 1.83 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 2.31 2.32 0.00 37 M 8.14 5.11 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 38 A 8.34 5.06 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 39 I 8.50 5.12 1.70 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 1.22 0.70 0.86 0.00 0.00 40 I 8.76 5.06 1.70 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.04 0.99 0.00 0.00 41 T 8.32 5.10 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 1.10 0.00 0.00 42 F 8.87 5.21 0.00 3.26 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 43 K 9.25 3.93 0.00 1.77 1.75 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.02 7.81 44 N 8.19 4.52 0.00 2.85 3.02 0.00 0.00 6.31 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 45 G 8.37 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 46 A 8.44 3.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.67 4.87 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 1.10 0.00 0.00 48 F 9.06 5.38 0.00 2.99 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 49 Q 9.26 5.17 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.57 2.35 0.00 50 V 8.31 4.62 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 1.02 0.00 0.00 1.00 0.00 0.00 51 E 9.03 4.43 0.00 1.90 1.85 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 2.39 2.36 0.00 52 V 8.37 3.88 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 0.72 0.00 0.00 0.93 0.00 0.00 53 P 0.00 4.37 0.00 2.03 2.05 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 *61 Q 8.52 4.41 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.88 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 62 K 8.16 4.12 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.08 7.81 63 K 8.05 4.25 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.08 7.81 64 A 7.89 4.28 1.39 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 0.00 0.00 0.00 65 I 7.96 3.68 2.03 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 0.82 0.99 0.00 0.00 66 E 8.02 4.00 0.00 2.15 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 2.57 2.48 0.00 67 R 8.14 3.89 0.00 1.91 2.10 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 68 M 8.27 4.01 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 69 K 8.16 4.11 0.00 2.05 1.96 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.66 7.81 70 D 8.11 4.37 0.00 2.96 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 71 T 8.17 3.85 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 1.23 0.00 0.00 72 L 8.08 4.04 0.00 1.91 1.95 1.03 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.79 2.93 0.00 1.56 1.88 0.00 3.01 0.00 0.00 3.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.05 0.00 74 I 7.68 3.61 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.30 0.99 0.00 0.00 75 A 8.39 3.95 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 76 Y 8.33 4.01 0.00 3.05 3.04 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 77 L 7.96 3.79 0.00 1.59 1.65 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.94 4.22 4.20 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 1.21 0.00 0.00 79 E 7.78 3.65 0.00 2.07 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 2.08 2.05 0.00 80 A 7.68 4.14 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.72 4.29 0.00 1.87 1.72 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.54 7.81 82 V 8.78 3.93 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 0.91 0.00 0.00 1.16 0.00 0.00 83 E 9.37 4.46 0.00 2.07 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 2.27 2.21 0.00 84 K 8.49 5.11 0.00 1.61 1.57 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.34 7.81 85 L 8.55 5.02 0.00 1.15 1.12 0.49 0.64 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 86 C 8.82 5.00 0.00 2.85 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 87 V 8.43 4.87 2.25 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 0.26 0.00 0.00 1.27 0.00 0.00 88 W 9.40 5.00 0.00 3.37 3.18 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 89 N 9.33 4.87 0.00 2.82 3.15 0.00 0.00 6.97 8.85 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 90 N 8.22 4.99 0.00 2.89 3.00 0.00 0.00 5.93 7.13 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 91 K 7.83 4.74 0.00 1.85 1.73 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.52 7.81 92 T 8.23 4.84 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 1.20 0.00 0.00 93 P 0.00 4.49 0.00 2.03 1.99 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 94 N 8.80 4.90 0.00 3.07 3.10 0.00 0.00 7.12 7.57 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 95 S 8.97 5.29 0.00 4.08 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 96 I 8.89 4.20 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.66 0.87 0.00 0.00 97 A 8.57 4.13 -0.24 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 0.00 0.00 0.00 98 A 7.18 4.54 1.06 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 0.00 0.00 99 I 8.18 5.01 1.85 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 1.40 0.98 0.91 0.00 0.00 100 S 9.16 4.92 0.00 3.84 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 M 8.58 5.08 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 102 A 8.09 4.20 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 * Residues marked with a * may have inaccurate shift predictions.