NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 V 3.9933 8.0544 120.4004 62.3992 33.5024 175.3043 13 F 3.8927 8.3304 121.9667 58.0729 39.3857 173.9465 14 G 3.8394 8.3591 115.9871 43.7082 0.0000 173.0098 15 E 3.9581 8.4042 119.4719 58.9600 29.5656 178.4208 16 E 4.1232 7.9026 117.3110 59.1094 29.8370 178.9930 17 Q 3.5583 7.5159 118.6258 58.6703 28.7593 177.7773 18 E 3.9738 7.4069 119.5904 59.5484 29.5215 178.8914 19 A 4.0120 8.4403 120.8875 55.0159 18.2605 179.6304 20 L 3.9197 7.9320 117.7321 57.8589 41.6767 179.8453 21 V 3.0986 7.4919 117.9526 65.8122 31.2758 178.1823 22 L 4.1477 7.9620 118.6364 57.9028 41.5077 179.6866 23 K 4.0804 8.4948 118.9795 59.2154 31.9053 179.5402 24 S 4.4724 8.1870 114.9024 60.7149 63.2181 176.4092 25 W 4.6428 8.7509 131.9199 60.5161 30.3309 177.4547 26 A 3.7675 8.1154 119.7349 55.5086 17.7396 179.5670 27 V 3.6018 7.4186 114.8753 66.4127 31.6389 178.1628 28 M 4.1036 8.1155 118.6998 57.5867 31.6803 178.2442 29 K 3.4241 7.2541 117.4343 58.0715 32.5488 178.4658 30 K 4.1267 7.1526 117.8820 57.7699 32.6386 176.2298 31 D 4.7295 8.0479 119.8147 52.2329 42.0624 177.0672 32 A 3.9495 8.3652 121.4655 54.9825 18.5113 179.1321 33 A 3.9546 7.9741 118.5029 55.7257 18.4857 179.5925 34 N 4.3670 8.1354 114.2006 55.9825 38.5038 177.2932 35 L 4.0276 7.9436 122.2182 58.2836 42.2429 179.3963 36 G 3.8871 8.7642 105.9761 47.6593 0.0000 175.4881 37 L 4.1014 7.9640 122.4937 58.1493 42.1952 179.1346 38 R 3.9386 8.3541 118.3699 59.1945 29.9872 178.6645 39 F 4.5187 8.4438 121.9946 61.0327 39.3970 177.3235 40 F 3.6077 8.3607 117.2296 60.2075 38.6602 177.7715 41 L 4.1312 8.2914 119.0083 57.5866 41.5014 179.5835 42 K 3.9539 8.1442 119.6264 59.3986 32.1450 178.9034 43 V 3.5425 7.4432 118.5096 66.2895 30.8691 178.0515 44 F 4.8034 7.8794 116.7383 60.0845 38.4655 177.2823 45 E 4.1160 7.8633 118.4109 58.9075 29.4995 178.4352 46 I 4.1530 7.6552 118.6424 62.7497 38.6984 176.4371 47 A 4.6858 8.1521 124.0762 48.3208 19.1461 174.0927 48 P 4.5312 0.0000 0.0000 64.8283 31.6401 177.9534 49 S 4.1967 8.2723 112.1651 61.2616 62.5921 175.8612 50 A 4.3012 8.3323 123.4873 53.7891 18.0403 178.9894 51 K 3.7348 8.1733 118.4557 58.7868 31.9652 178.3888 52 Q 4.1808 7.8967 117.0404 58.1514 28.6728 177.5753 53 M 4.2455 7.6939 119.6008 57.7313 32.1734 176.5278 54 F 3.9854 8.2794 117.7363 54.8845 39.6498 175.0458 55 S 3.7439 8.1341 118.6855 59.3162 60.8809 169.5726 *65 E 4.2897 8.1696 121.4365 56.3558 30.3697 177.1425 66 K 4.3126 9.1748 122.5992 56.8184 33.1118 174.3456 67 N 4.2781 8.1128 116.9037 52.7793 38.9360 173.7475 68 P 4.3760 0.0000 0.0000 65.4130 31.4913 178.2698 69 K 3.9666 8.0629 119.5639 59.4753 32.1378 178.5061 70 L 3.7992 7.6570 118.8294 57.4997 41.3965 179.6143 71 K 4.1096 8.0092 117.9727 59.8343 32.0161 179.3592 72 T 3.9479 8.1781 116.0011 66.8958 68.3804 176.0972 73 H 4.1116 8.5586 119.9286 59.3087 30.0218 177.0351 74 A 4.1173 8.4347 122.4242 55.6227 18.2531 179.5364 75 M 4.3340 8.3446 117.2034 58.6632 31.9756 178.8824 76 S 4.1698 8.4784 115.7447 61.8787 63.0020 176.8818 77 V 3.6297 7.9361 120.5349 66.2738 31.2031 178.1539 78 F 4.0411 8.0464 116.8688 60.3475 38.7669 178.0655 79 V 3.3028 8.3600 118.1765 66.3530 31.4012 178.0778 80 M 4.1856 8.3877 118.2351 58.1475 31.7730 178.9154 81 T 3.8953 7.7489 116.2827 66.6560 68.6150 176.5640 82 C 3.9674 8.0334 118.7496 62.7005 28.0768 176.0306 83 E 3.9698 8.1502 120.1424 59.2263 29.0390 179.1895 84 A 3.9272 8.2233 120.8299 54.7611 18.3629 179.6228 85 A 3.5325 7.8067 119.1569 55.1279 18.5927 179.4624 86 A 4.8358 7.7809 120.6686 55.1571 18.5712 179.9250 87 Q 4.0321 8.0321 115.9779 58.5980 28.8445 178.7583 88 L 3.9729 7.8887 120.5377 57.2803 41.3455 179.1426 89 R 4.1626 7.9541 118.0347 60.2022 30.1884 177.7323 90 K 4.0564 8.3009 120.0295 58.0886 32.0178 176.8094 91 A 4.5328 8.0585 118.5918 51.3890 18.9045 178.2009 92 G 4.1672 7.5504 103.9611 45.8886 0.0000 173.7769 93 K 4.4302 7.2404 115.2832 54.9929 35.4187 175.7418 94 V 3.6683 8.2328 121.1823 63.2922 31.7992 176.4854 95 T 4.6155 8.4973 120.5320 60.9630 68.9997 174.6967 96 V 3.7017 8.0135 121.3831 63.6653 32.6494 175.5110 97 R 3.6751 8.1335 122.2659 55.2716 29.7532 176.4496 98 E 3.9146 9.1148 125.5572 59.6212 29.7145 178.6577 99 T 4.0807 7.8375 108.6237 64.3164 69.1096 177.0030 100 T 3.9109 7.7848 118.7237 66.5992 68.6771 176.4073 101 L 4.0293 7.8689 120.9158 57.8205 41.6018 179.9082 102 K 4.0125 7.8848 118.3077 59.2569 32.0226 179.3636 103 R 3.8810 7.8648 118.5754 59.4902 30.0623 178.3264 104 L 4.1744 8.3640 119.2912 57.9446 41.5733 179.8510 105 G 3.6654 8.7342 105.5196 47.8469 0.0000 175.6693 106 A 4.0403 8.0940 123.5204 54.9920 18.4651 179.8208 107 T 3.8984 8.3737 114.6859 67.3697 68.5256 176.6880 108 H 4.3004 8.2007 117.9264 58.4761 28.6924 177.6886 109 L 3.9784 8.3454 122.6644 58.1610 41.7307 178.8718 110 R 3.8659 8.1900 117.9067 59.2797 30.0472 177.0988 111 Y 4.3060 7.9390 113.3682 57.1343 38.2013 175.7082 112 G 3.7417 7.9192 108.0091 46.2992 0.0000 174.0370 113 V 3.5536 7.9412 120.1845 61.8481 31.8556 175.2938 114 A 4.7900 8.4472 129.8936 50.1515 21.9375 176.3886 115 D 4.7560 9.0048 118.1593 58.0380 40.5641 179.6422 116 G 3.7242 8.1499 105.2613 48.3769 0.0000 175.1315 117 H 4.2385 7.9251 118.3695 58.6350 28.6958 178.0049 118 F 4.5652 8.1594 119.0870 60.5354 38.7054 177.5540 119 E 4.1621 8.5719 118.3942 59.5040 29.3630 179.4354 120 V 3.6663 8.1370 118.5045 66.3908 31.5708 178.2113 121 T 4.0279 8.1252 115.5329 66.5033 68.3088 176.9435 122 G 3.0102 8.2948 107.7515 47.3426 0.0000 175.5208 123 F 4.0254 8.5125 122.9548 61.1142 39.4177 177.0780 124 A 3.9531 8.6109 120.8030 54.8508 18.1112 179.1984 125 L 2.8797 8.0902 119.2453 58.1694 42.0574 179.3828 126 L 3.8889 7.4210 118.5611 57.8173 41.6016 179.4544 127 E 3.6196 7.6704 118.4119 59.3002 29.1215 179.4986 128 T 3.8193 7.6744 116.1834 66.2147 68.4796 177.0775 129 I 3.5013 7.3366 121.9233 64.0174 36.8364 178.0866 130 K 2.6806 6.8759 119.2057 59.0165 31.8769 177.4087 131 E 3.8502 7.3514 117.4119 59.3911 29.5452 178.7948 132 A 4.1256 7.5792 119.2279 53.5564 19.1301 177.4817 133 L 4.3370 7.5040 117.3024 53.3057 43.1920 174.7202 134 P 4.2480 0.0000 0.0000 62.6264 31.9152 177.1148 135 A 4.0834 8.9771 126.1052 55.5371 18.2549 178.7554 136 D 4.6319 8.0554 112.4066 55.1107 39.9571 176.8592 137 M 4.3070 8.1977 119.5568 56.3168 32.7630 176.4957 138 W 4.4661 7.8714 129.6037 57.1751 31.5219 175.5796 139 S 4.2654 7.0269 118.6210 56.1072 66.4474 175.1609 140 L 3.7152 8.0972 122.5423 58.2262 41.6050 178.5674 141 E 3.8770 7.8397 118.1443 59.4871 29.4726 178.8116 142 M 4.0252 7.7486 118.2771 58.0556 32.2906 177.8717 143 K 3.6992 7.2587 119.9586 59.7652 32.2854 178.8280 144 K 4.0457 7.9487 118.0953 59.2629 31.8172 179.3173 145 A 4.1656 7.8773 120.7995 55.1553 18.4088 179.8231 146 W 4.0627 8.3700 117.2804 59.7134 29.1546 178.7527 147 A 4.1968 8.3230 120.9950 55.1316 17.7908 179.5177 148 E 3.8817 8.4744 116.9657 59.4769 29.6874 179.0138 149 A 3.6754 7.6560 120.3341 55.4695 18.2928 179.1152 150 Y 3.8804 8.0421 117.7346 60.8826 38.9639 178.1307 151 S 3.9645 8.2516 115.1941 61.8149 62.7996 176.5524 152 Q 3.8705 8.1150 121.3729 58.2062 28.5604 178.2210 153 L 3.7701 7.6790 121.6147 58.0494 42.0180 179.2496 154 V 2.9401 7.4761 118.1062 65.4231 31.2625 177.8519 155 A 3.7763 7.8646 120.4591 55.0664 17.9988 179.4749 156 A 3.8878 7.3773 117.7055 55.2615 18.7094 179.7033 157 I 3.7825 7.4540 117.9831 64.4466 37.2048 178.7757 158 K 3.9832 8.0616 119.5452 59.3975 31.5561 179.3121 159 R 3.9719 7.5412 117.8810 58.6243 29.9619 176.7900 160 E 4.4879 7.7887 116.0831 56.4827 29.5290 176.1453 161 M 4.6388 7.8282 117.0936 54.9264 32.5290 175.3875 162 K 4.7177 7.4916 117.0162 53.7041 35.5081 174.1196 163 P 4.3815 0.0000 0.0000 62.9422 31.6711 177.4342 164 D 4.1798 8.4938 119.5545 56.5658 41.6359 176.1031 *165 A 4.1178 7.2524 126.4841 52.5224 18.8737 176.0179 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 12 V 8.05 3.99 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 0.97 0.00 0.00 0.94 0.00 0.00 13 F 8.33 3.89 0.00 2.93 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 14 G 8.36 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 15 E 8.40 3.96 0.00 2.00 1.89 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 2.33 2.33 0.00 16 E 7.90 4.12 0.00 2.14 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 2.24 2.25 0.00 17 Q 7.52 3.56 0.00 1.22 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.88 0.00 0.00 0.00 0.00 0.00 1.89 2.11 0.00 18 E 7.41 3.97 0.00 2.10 2.03 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 2.31 2.37 0.00 19 A 8.44 4.01 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 20 L 7.93 3.92 0.00 1.78 1.71 0.82 0.66 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 21 V 7.49 3.10 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 -0.24 0.00 0.00 0.55 0.00 0.00 22 L 7.96 4.15 0.00 1.78 1.76 0.94 1.05 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 23 K 8.49 4.08 0.00 1.89 1.91 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.63 7.81 24 S 8.19 4.47 0.00 4.33 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 0.00 25 W 8.75 4.64 0.00 3.83 3.43 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 26 A 8.12 3.77 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 V 7.42 3.60 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 0.99 0.00 0.00 1.00 0.00 0.00 28 M 8.12 4.10 0.00 1.95 2.13 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.47 0.00 29 K 7.25 3.42 0.00 0.84 0.74 0.00 0.77 0.00 0.00 1.38 0.00 0.00 2.73 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.00 1.03 7.81 30 K 7.15 4.13 0.00 1.76 1.81 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.53 7.81 31 D 8.05 4.73 0.00 2.63 2.44 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 0.00 0.00 0.00 0.00 32 A 8.37 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 3.95 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 34 N 8.14 4.37 0.00 3.00 2.88 0.00 0.00 6.65 6.74 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 35 L 7.94 4.03 0.00 1.94 1.82 0.25 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.76 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 0.00 0.00 0.00 37 L 7.96 4.10 0.00 1.87 1.91 0.96 0.96 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 38 R 8.35 3.94 0.00 2.01 1.98 0.00 3.17 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 39 F 8.44 4.52 0.00 3.15 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 40 F 8.36 3.61 0.00 3.15 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 41 L 8.29 4.13 0.00 1.86 1.78 0.96 0.93 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 42 K 8.14 3.95 0.00 1.95 2.06 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.54 7.81 43 V 7.44 3.54 1.48 0.00 0.00 0.00 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 0.63 0.00 0.00 44 F 7.88 4.80 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 45 E 7.86 4.12 0.00 2.14 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 0.00 2.37 2.39 0.00 46 I 7.66 4.15 2.07 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.73 0.90 0.00 0.00 47 A 8.15 4.69 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 48 P 0.00 4.53 0.00 2.19 2.15 0.00 3.94 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 49 S 8.27 4.20 0.00 4.08 4.17 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 50 A 8.33 4.30 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 0.00 0.00 0.00 0.00 0.00 51 K 8.17 3.73 0.00 1.32 1.50 0.00 1.44 0.00 0.00 1.38 0.00 0.00 2.56 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.90 7.81 52 Q 7.90 4.18 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 53 M 7.69 4.25 0.00 1.61 1.99 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 54 F 8.28 3.99 0.00 2.92 2.87 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 55 S 8.13 3.74 0.00 4.10 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 *65 E 8.17 4.29 0.00 1.93 1.55 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 2.20 2.36 0.00 66 K 9.17 4.31 0.00 1.70 1.77 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.36 7.81 67 N 8.11 4.28 0.00 2.70 2.58 0.00 0.00 6.85 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 68 P 0.00 4.38 0.00 2.32 2.31 0.00 3.75 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 2.08 2.02 0.00 69 K 8.06 3.97 0.00 1.84 2.02 0.00 1.77 0.00 0.00 1.97 0.00 0.00 3.25 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.58 1.53 7.81 70 L 7.66 3.80 0.00 1.72 1.10 0.57 -1.01 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 71 K 8.01 4.11 0.00 2.00 1.94 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.75 7.81 72 T 8.18 3.95 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 1.29 0.00 0.00 73 H 8.56 4.11 0.00 3.51 3.78 0.00 5.59 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 74 A 8.43 4.12 1.72 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 75 M 8.34 4.33 0.00 2.25 2.47 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 3.01 0.00 76 S 8.48 4.17 0.00 4.02 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 77 V 7.94 3.63 2.34 0.00 0.00 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 1.02 0.00 0.00 78 F 8.05 4.04 0.00 2.96 1.75 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 79 V 8.36 3.30 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 1.11 0.00 0.00 1.14 0.00 0.00 80 M 8.39 4.19 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.58 0.00 81 T 7.75 3.90 4.62 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 1.43 0.00 0.00 82 C 8.03 3.97 0.00 3.05 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 83 E 8.15 3.97 0.00 2.15 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 2.34 2.49 0.00 84 A 8.22 3.93 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 85 A 7.81 3.53 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.78 4.84 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 87 Q 8.03 4.03 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 88 L 7.89 3.97 0.00 1.46 1.47 0.22 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.95 4.16 0.00 2.11 2.09 0.00 3.43 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.00 0.00 90 K 8.30 4.06 0.00 1.91 1.61 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.45 7.81 91 A 8.06 4.53 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 92 G 7.55 4.17 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 0.00 93 K 7.24 4.43 0.00 1.92 1.70 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.57 1.33 7.81 94 V 8.23 3.67 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 0.75 0.00 0.00 0.83 0.00 0.00 95 T 8.50 4.62 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 1.28 0.00 0.00 96 V 8.01 3.70 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 0.82 0.00 0.00 0.98 0.00 0.00 97 R 8.13 3.68 0.00 2.09 2.05 0.00 3.05 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 98 E 9.11 3.91 0.00 2.04 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 2.38 2.38 0.00 99 T 7.84 4.08 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 1.22 0.00 0.00 100 T 7.78 3.91 4.40 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 1.23 0.00 0.00 101 L 7.87 4.03 0.00 1.86 1.71 0.93 0.96 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 0.00 102 K 7.88 4.01 0.00 1.76 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.70 7.81 103 R 7.86 3.88 0.00 2.02 2.12 0.00 3.14 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 104 L 8.36 4.17 0.00 1.93 1.82 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.73 3.67 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 0.00 0.00 0.00 106 A 8.09 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 0.00 107 T 8.37 3.90 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 1.16 0.00 0.00 108 H 8.20 4.30 0.00 3.42 3.39 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.35 3.98 0.00 1.95 1.72 0.96 1.14 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 0.00 110 R 8.19 3.87 0.00 2.16 1.98 0.00 3.03 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 111 Y 7.94 4.31 0.00 2.83 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 0.00 112 G 7.92 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 0.00 0.00 0.00 113 V 7.94 3.55 1.91 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 -0.08 0.00 0.00 0.85 0.00 0.00 114 A 8.45 4.79 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 0.00 115 D 9.00 4.76 0.00 2.79 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 0.00 116 G 8.15 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 0.00 117 H 7.93 4.24 0.00 3.19 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.16 4.57 0.00 3.30 2.99 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 0.00 0.00 0.00 119 E 8.57 4.16 0.00 2.27 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 2.45 2.68 0.00 120 V 8.14 3.67 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 1.10 0.00 0.00 0.98 0.00 0.00 121 T 8.13 4.03 4.61 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 1.13 0.00 0.00 122 G 8.29 3.01 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 0.00 0.00 0.00 123 F 8.51 4.03 0.00 3.19 3.26 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 0.00 124 A 8.61 3.95 1.50 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 0.00 0.00 125 L 8.09 2.88 0.00 1.28 1.45 -0.56 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.42 3.89 0.00 1.56 1.80 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 127 E 7.67 3.62 0.00 1.68 1.72 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 1.74 1.47 0.00 128 T 7.67 3.82 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 1.15 0.00 0.00 129 I 7.34 3.50 1.85 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.34 0.90 0.00 0.00 130 K 6.88 2.68 0.00 0.79 1.13 0.00 1.50 0.00 0.00 1.14 0.00 0.00 2.58 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.86 0.32 7.81 131 E 7.35 3.85 0.00 1.85 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 0.00 2.21 2.16 0.00 132 A 7.58 4.13 1.24 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 0.00 133 L 7.50 4.34 0.00 1.91 1.58 1.00 1.14 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 0.00 134 P 0.00 4.25 0.00 2.25 1.98 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 135 A 8.98 4.08 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 0.00 136 D 8.06 4.63 0.00 2.81 2.83 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 0.00 137 M 8.20 4.31 0.00 2.10 2.37 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 138 W 7.87 4.47 0.00 3.25 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 0.00 139 S 7.03 4.27 0.00 3.89 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 0.00 140 L 8.10 3.72 0.00 1.67 1.60 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 141 E 7.84 3.88 0.00 1.91 1.89 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 2.33 2.24 0.00 142 M 7.75 4.03 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.80 0.00 143 K 7.26 3.70 0.00 1.21 1.71 0.00 1.92 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.68 7.81 144 K 7.95 4.05 0.00 1.98 1.87 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.58 7.81 145 A 7.88 4.17 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 0.00 146 W 8.37 4.06 0.00 3.68 3.33 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 0.00 147 A 8.32 4.20 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 0.00 148 E 8.47 3.88 0.00 2.27 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 2.41 2.61 0.00 149 A 7.66 3.68 1.13 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 0.00 0.00 0.00 0.00 0.00 150 Y 8.04 3.88 0.00 3.30 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 0.00 151 S 8.25 3.96 0.00 4.08 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 0.00 152 Q 8.11 3.87 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 153 L 7.68 3.77 0.00 1.69 1.56 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.48 2.94 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 0.24 0.00 0.00 0.03 0.00 0.00 155 A 7.86 3.78 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 0.00 156 A 7.38 3.89 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 0.00 157 I 7.45 3.78 1.59 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.89 0.97 0.00 0.00 158 K 8.06 3.98 0.00 1.86 1.82 0.00 1.47 0.00 0.00 1.39 0.00 0.00 2.87 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.45 1.22 7.81 159 R 7.54 3.97 0.00 1.91 2.05 0.00 3.27 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 160 E 7.79 4.49 0.00 2.17 1.96 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 2.27 2.31 0.00 161 M 7.83 4.64 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.74 0.00 162 K 7.49 4.72 0.00 1.68 1.66 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.46 7.81 163 P 0.00 4.38 0.00 2.17 1.98 0.00 3.60 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 2.12 2.09 0.00 164 D 8.49 4.18 0.00 2.61 2.69 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 *165 A 7.25 4.12 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 * Residues marked with a * may have inaccurate shift predictions.