NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8356 8.2133 109.7398 45.5682 0.0000 175.5595 *2 S 4.6003 7.8874 115.7377 58.7733 65.1736 175.6960 3 N 4.3083 8.2987 117.0836 56.4107 38.2514 176.9731 4 I 3.5651 7.2184 119.6733 64.9842 37.2004 178.1229 5 Y 4.1578 7.8387 116.5496 60.7430 37.7953 177.6334 6 D 4.4042 8.5238 120.4002 57.7414 40.9302 179.1546 7 S 4.1567 8.2010 115.2343 61.2539 62.7985 176.5602 8 A 3.9361 8.2120 123.8252 55.1239 18.0458 179.2028 9 N 4.2712 8.4096 115.8856 56.8128 39.0184 176.9685 10 E 3.9969 8.2485 119.1072 58.9954 29.8339 178.7406 11 L 3.8918 8.1383 121.5920 57.9759 42.1367 178.7226 12 S 4.0403 8.1866 112.9964 61.5438 62.4791 176.0841 13 R 3.9267 8.3036 121.0430 59.4715 29.6787 178.9758 14 G 3.8325 7.9472 103.7884 48.2379 0.0000 175.2425 15 L 4.2896 7.8237 120.5189 57.4596 41.5017 179.5911 16 R 3.4206 7.7671 116.9994 58.0155 30.0422 178.3336 17 G 3.8081 7.5662 103.4875 44.5826 0.0000 173.9951 18 L 4.2990 7.3380 122.2367 53.7637 42.4829 176.2393 19 P 4.3319 0.0000 0.0000 66.1042 31.1759 178.8026 20 E 4.0021 8.2537 116.8583 59.2266 29.4175 178.5483 21 Y 3.7361 8.1620 119.6761 60.6178 39.0179 177.5763 22 K 3.9148 8.4289 118.7902 59.8165 32.0869 178.8521 23 A 4.0190 8.3244 120.7767 55.1297 18.2400 179.8414 24 V 3.4825 7.5920 116.3590 65.9151 31.5646 178.1886 25 K 3.9791 8.1931 119.1534 59.5223 32.0541 178.6503 26 A 3.9747 8.1909 120.8255 55.1075 18.2978 179.2955 27 A 3.9378 8.3301 119.5800 55.3196 18.4505 179.7904 28 K 3.4744 8.4320 118.2163 59.6171 32.3095 178.8270 29 D 4.2756 8.0959 119.0067 57.2714 40.4897 178.6476 30 A 4.0007 8.0007 120.5973 54.8494 18.6180 179.4765 31 I 3.6534 7.7480 118.2508 64.6139 36.9814 178.3234 32 A 3.8605 7.5186 119.6990 55.1446 18.2206 178.9502 33 A 4.2353 7.7665 116.7777 52.2530 18.8663 176.5904 34 D 4.7063 7.6115 118.0588 51.9762 42.9419 176.1784 35 A 3.9876 8.8530 128.9994 55.4524 18.2278 178.6946 36 E 3.7906 8.1320 116.5935 59.3932 29.9132 178.3098 37 A 4.0419 8.3931 120.8402 55.6049 18.4348 179.5817 38 S 4.0371 8.3667 111.6067 61.3148 62.4362 176.3244 39 K 4.0405 8.1216 122.4418 59.5928 31.8970 178.9740 40 I 3.9090 7.6978 120.3134 64.2185 36.9034 178.1997 41 F 4.0860 8.4961 121.5887 61.6859 39.1945 177.3490 42 T 4.0163 8.2936 115.3641 66.8675 68.1965 176.4795 43 D 4.4437 8.3985 120.8639 57.3674 40.6354 178.2006 44 Y 3.4140 8.0017 119.5186 60.2553 39.0522 177.1464 45 L 3.8849 7.9742 121.4533 58.5249 42.2584 179.1159 46 A 4.0584 8.2402 120.1775 54.8476 18.1419 179.1787 47 F 4.3323 8.2568 119.1736 60.7355 39.4759 176.8067 48 Q 3.6818 7.5419 119.4906 59.3108 28.6524 178.3865 49 E 3.9611 7.7334 117.0839 59.0551 29.8461 178.7009 50 E 3.9466 7.7653 119.3107 59.1646 29.1626 179.2253 51 I 3.6576 6.9413 118.6597 63.8353 37.2941 177.9100 52 Q 4.0525 7.7139 118.7015 58.4935 28.7403 177.7654 53 K 3.8135 8.1307 119.4272 60.1019 32.2027 178.9779 54 L 3.5604 7.4387 119.0903 57.6511 42.5453 178.9340 55 A 4.5342 7.2687 119.4341 52.4903 18.8786 177.7870 56 Q 4.3984 8.5213 119.6420 57.3289 31.3716 176.5461 57 T 4.3688 7.3062 114.2758 59.2733 66.1425 175.6367 58 G 4.2000 7.2769 110.1903 45.2650 0.0000 171.0531 59 Q 4.3192 7.8853 115.6526 55.7014 29.6852 174.0898 *61 P 4.0168 0.0000 0.0000 62.3580 32.5459 176.3571 62 D 4.6473 8.4546 122.1599 53.0910 41.4724 176.5827 63 A 4.1363 8.4504 130.3198 54.8885 18.5207 179.1909 64 S 4.0596 8.1909 113.5022 61.7818 62.8528 176.2401 65 F 4.1646 8.2631 121.7717 61.3526 39.1795 176.5016 66 Q 4.1589 8.1577 117.6065 59.3327 29.1592 177.9491 67 A 4.1415 7.9086 121.5820 54.8887 18.4032 179.4387 68 K 4.0427 7.8565 115.0233 57.3371 31.9829 177.9888 *70 E 4.1730 8.2160 120.8035 55.7254 31.6299 178.0770 71 G 3.3550 8.1557 105.4441 47.9065 0.0000 175.6069 72 F 4.2026 7.7353 121.0711 59.9728 38.7978 178.0737 73 G 3.4711 7.8286 104.7554 47.8199 0.0000 175.7989 74 K 4.0092 7.8319 120.6260 59.0063 31.8210 179.4558 75 Q 3.9915 7.7926 117.7219 58.9839 28.8704 178.8559 76 I 3.9116 7.5364 120.6480 64.5850 36.9875 178.5091 77 Q 4.1789 8.0401 117.6671 58.5293 28.5803 178.2576 78 G 4.0472 7.7653 103.8173 43.6571 0.0000 172.6304 79 N 4.9768 7.6261 120.6535 51.2709 40.9690 175.2840 80 S 4.1690 8.7593 122.4802 61.6656 63.0658 176.6311 81 L 4.0555 7.9887 121.3604 57.6611 41.4604 179.3317 82 L 4.2061 8.4610 119.2797 57.7349 41.6325 179.6216 83 S 4.3419 8.5304 114.6090 61.2011 62.9680 175.7813 84 E 3.9112 8.2183 123.1463 59.2302 29.2596 178.4795 85 F 4.0634 8.0736 119.8775 61.7234 39.4689 177.2655 86 F 4.0543 8.1748 117.0003 60.4484 38.6916 177.6367 87 T 4.0095 8.3067 113.1381 64.8016 67.3124 176.8026 88 K 3.9392 8.1681 120.6579 59.2600 32.0218 179.1230 89 Q 3.6220 7.8695 120.0888 58.9339 28.8858 178.1101 90 Q 3.8527 7.7745 120.1443 59.2484 29.1065 178.0948 91 Q 3.6014 7.9112 119.0667 58.6815 28.5821 178.7259 92 L 3.6267 7.4719 120.8091 57.9392 41.9146 178.8987 93 A 3.9276 7.6541 119.4703 54.6445 18.4315 179.4907 94 I 3.7828 7.4580 118.8168 64.8312 37.0500 178.2192 95 Y 4.4110 7.1903 117.1784 61.0755 37.6497 178.1605 96 L 4.0653 8.2958 121.3830 58.0354 41.9640 178.9857 97 S 4.1475 7.9003 113.1305 61.2730 61.8690 175.7594 98 D 4.4308 8.1346 121.3062 57.0267 40.6066 178.6285 99 I 3.7229 7.6748 120.6916 64.1720 37.0342 177.6092 100 E 4.0441 8.4434 120.5927 59.6438 29.1475 179.1501 101 K 4.0013 7.5861 116.6809 59.5784 32.2971 179.1836 102 I 3.8288 7.4510 119.2814 64.4277 36.8884 178.6093 103 V 3.4032 7.8003 117.9559 65.5423 31.6147 177.1628 104 F 4.8224 8.1164 115.3210 57.1760 38.9202 176.9515 105 E 3.9617 7.8669 122.0466 59.3441 29.1252 177.2274 106 P 4.2399 0.0000 0.0000 65.4193 31.6010 178.5791 107 V 3.7682 7.7446 116.7298 66.1155 31.5824 177.7287 108 S 4.1396 8.0882 114.9775 62.1509 62.5217 176.7428 109 E 4.0222 8.2339 119.6171 59.3013 29.2177 178.9298 110 L 4.2842 8.2002 117.8985 56.6655 41.9698 178.7614 111 L 4.1578 7.4955 118.4056 57.3111 41.6056 177.1116 112 K 4.1693 7.9649 121.6676 56.6455 32.0634 176.6098 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 0 G 8.21 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 *2 S 7.89 4.60 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 8.30 4.31 0.00 2.94 2.85 0.00 0.00 7.12 7.49 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 4 I 7.22 3.57 1.60 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.77 0.37 0.00 0.00 5 Y 7.84 4.16 0.00 3.02 2.94 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 6 D 8.52 4.40 0.00 3.00 2.73 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 7 S 8.20 4.16 0.00 3.83 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 8 A 8.21 3.94 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 9 N 8.41 4.27 0.00 2.92 3.00 0.00 0.00 7.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.25 4.00 0.00 2.25 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 0.00 2.43 2.30 0.00 11 L 8.14 3.89 0.00 1.85 1.90 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.19 4.04 0.00 4.03 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.30 3.93 0.00 1.85 1.95 0.00 3.32 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 14 G 7.95 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 0.00 0.00 0.00 15 L 7.82 4.29 0.00 1.98 1.85 1.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.77 3.42 0.00 1.69 1.69 0.00 2.92 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.53 0.00 17 G 7.57 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 18 L 7.34 4.30 0.00 2.05 1.91 1.10 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.33 0.00 2.20 2.16 0.00 3.65 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 2.15 2.23 0.00 20 E 8.25 4.00 0.00 2.18 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 2.62 2.54 0.00 21 Y 8.16 3.74 0.00 3.32 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 22 K 8.43 3.91 0.00 2.06 1.93 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.79 7.81 23 A 8.32 4.02 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 24 V 7.59 3.48 1.90 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 0.73 0.00 0.00 0.78 0.00 0.00 25 K 8.19 3.98 0.00 2.06 2.13 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.53 7.81 26 A 8.19 3.97 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 27 A 8.33 3.94 1.52 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 0.00 0.00 28 K 8.43 3.47 0.00 1.98 1.93 0.00 0.61 0.00 0.00 1.25 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.27 7.81 29 D 8.10 4.28 0.00 2.89 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 30 A 8.00 4.00 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 31 I 7.75 3.65 1.55 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 1.34 0.64 0.57 0.00 0.00 32 A 7.52 3.86 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 33 A 7.77 4.24 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 34 D 7.61 4.71 0.00 2.86 2.59 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 35 A 8.85 3.99 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 36 E 8.13 3.79 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 37 A 8.39 4.04 1.42 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 0.00 0.00 0.00 38 S 8.37 4.04 0.00 4.13 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 39 K 8.12 4.04 0.00 1.97 2.09 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.59 7.81 40 I 7.70 3.91 2.10 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 1.66 0.60 1.02 0.00 0.00 41 F 8.50 4.09 0.00 3.27 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 42 T 8.29 4.02 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 1.28 0.00 0.00 43 D 8.40 4.44 0.00 3.13 3.09 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 44 Y 8.00 3.41 0.00 2.69 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 45 L 7.97 3.88 0.00 2.01 1.82 0.87 1.65 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 46 A 8.24 4.06 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 47 F 8.26 4.33 0.00 2.93 2.84 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 48 Q 7.54 3.68 0.00 1.96 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 49 E 7.73 3.96 0.00 2.25 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 0.00 2.45 2.30 0.00 50 E 7.77 3.95 0.00 1.65 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 2.37 2.41 0.00 51 I 6.94 3.66 1.85 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.18 0.82 0.00 0.00 52 Q 7.71 4.05 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 53 K 8.13 3.81 0.00 1.96 1.83 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.50 7.81 54 L 7.44 3.56 0.00 1.43 1.36 -0.18 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.27 4.53 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 56 Q 8.52 4.40 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.22 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 57 T 7.31 4.37 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 1.26 0.00 0.00 58 G 7.28 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 0.00 0.00 0.00 0.00 59 Q 7.89 4.32 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.44 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 *61 P 0.00 4.02 0.00 2.09 2.06 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.09 0.00 62 D 8.45 4.65 0.00 2.70 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 63 A 8.45 4.14 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 64 S 8.19 4.06 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.26 4.16 0.00 3.15 3.37 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 66 Q 8.16 4.16 0.00 2.37 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 67 A 7.91 4.14 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 68 K 7.86 4.04 0.00 1.99 1.89 0.00 1.43 0.00 0.00 1.61 0.00 0.00 3.11 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.66 1.25 7.81 *70 E 8.22 4.17 0.00 2.12 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 2.22 2.28 0.00 71 G 8.16 3.35 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 72 F 7.74 4.20 0.00 2.80 2.59 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 73 G 7.83 3.47 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 74 K 7.83 4.01 0.00 1.90 1.80 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 75 Q 7.79 3.99 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 76 I 7.54 3.91 1.86 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.52 0.96 0.00 0.00 77 Q 8.04 4.18 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 78 G 7.77 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 79 N 7.63 4.98 0.00 2.83 2.71 0.00 0.00 7.17 7.73 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 80 S 8.76 4.17 0.00 3.92 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 81 L 7.99 4.06 0.00 1.88 1.70 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.46 4.21 0.00 1.84 2.00 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.53 4.34 0.00 4.11 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 0.00 84 E 8.22 3.91 0.00 2.22 2.32 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 2.35 2.44 0.00 85 F 8.07 4.06 0.00 3.04 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 86 F 8.17 4.05 0.00 3.25 3.08 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 87 T 8.31 4.01 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 1.29 0.00 0.00 88 K 8.17 3.94 0.00 1.73 1.74 0.00 1.73 0.00 0.00 1.56 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.67 7.81 89 Q 7.87 3.62 0.00 1.40 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 90 Q 7.77 3.85 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 91 Q 7.91 3.60 0.00 2.08 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 92 L 7.47 3.63 0.00 1.68 1.57 0.97 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.65 3.93 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 94 I 7.46 3.78 1.70 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.37 1.06 0.00 0.00 95 Y 7.19 4.41 0.00 2.99 2.94 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 96 L 8.30 4.07 0.00 1.89 1.69 1.01 1.11 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 97 S 7.90 4.15 0.00 4.12 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 98 D 8.13 4.43 0.00 2.92 2.73 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 99 I 7.67 3.72 2.07 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 1.43 0.87 0.91 0.00 0.00 100 E 8.44 4.04 0.00 2.34 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 0.00 2.54 2.64 0.00 101 K 7.59 4.00 0.00 1.91 1.89 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.53 7.81 102 I 7.45 3.83 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.73 0.88 0.00 0.00 103 V 7.80 3.40 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.83 0.00 0.00 104 F 8.12 4.82 0.00 3.22 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 0.00 105 E 7.87 3.96 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 106 P 0.00 4.24 0.00 2.08 2.12 0.00 3.83 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 107 V 7.74 3.77 2.28 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 0.90 0.00 0.00 1.17 0.00 0.00 108 S 8.09 4.14 0.00 4.09 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 0.00 109 E 8.23 4.02 0.00 2.16 2.04 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 2.36 2.53 0.00 110 L 8.20 4.28 0.00 1.76 1.73 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.50 4.16 0.00 1.59 1.72 0.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.96 4.17 0.00 1.75 1.73 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.