NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3529 8.1685 120.0762 56.4378 33.1486 173.1046 3 A 4.9102 8.1804 126.7698 49.6618 21.6336 173.4958 4 D 5.2160 9.9819 123.7567 52.9102 44.1592 173.9395 5 I 4.8635 8.6732 123.3942 59.7736 39.4480 174.4841 6 L 5.2102 9.1314 127.5307 52.8685 44.5807 175.4361 7 L 5.1707 9.2725 123.8508 53.0032 44.6644 175.5343 8 V 4.6853 8.8103 124.4955 61.1406 34.2860 174.3578 9 S 5.0988 8.3468 120.3928 57.7017 65.9779 174.2188 10 H 4.8147 9.1549 119.2571 57.3651 29.7704 175.1305 11 S 4.7410 8.1615 113.6584 56.0759 62.9287 175.6846 12 K 4.2290 8.3548 132.6037 56.4077 31.5862 178.9482 *14 I 4.0953 8.0108 118.7104 61.2734 39.2580 178.4969 15 T 3.9917 7.6491 110.9942 64.7374 68.4396 176.2518 16 D 4.4435 8.6550 122.3272 57.1126 40.6857 178.8194 17 G 3.7094 8.0657 104.1333 48.0286 0.0000 175.2215 18 I 3.8632 7.9550 121.5062 63.7683 37.4409 178.0130 19 K 4.0875 8.0475 120.4537 59.4798 32.0855 179.5293 20 E 3.8618 8.2617 117.6654 56.6240 29.2114 178.4345 *22 I 4.2776 7.6646 118.7155 61.0369 39.0949 177.1429 23 E 4.1252 8.0667 118.1691 59.6146 29.2912 178.5037 24 Q 4.3591 7.7262 115.1993 56.5404 29.7260 176.4913 *26 N 4.6005 8.1845 121.1033 53.7611 39.5012 176.7849 *29 E 4.2575 8.9277 122.2249 55.3348 31.7338 176.3494 30 E 4.6756 8.4898 114.8727 56.3561 30.8220 175.5090 31 I 4.4914 7.5716 119.4046 59.8766 39.4602 175.1561 32 T 4.3947 7.9719 120.6053 62.5443 69.9728 173.6921 33 I 4.8294 8.2953 127.1418 59.8123 39.6959 174.6184 34 H 4.7787 9.5292 124.6903 54.0824 30.9602 173.8838 35 S 4.7158 8.8582 119.6956 57.2767 62.0246 173.1922 36 L 4.8058 8.7223 129.1884 54.1962 42.2572 177.5293 37 G 3.6564 7.9807 107.4981 46.2727 0.0000 175.2943 38 G 3.9003 8.8538 107.1218 44.9687 0.0000 172.9663 39 T 4.2633 8.4775 114.3730 60.7533 68.5219 175.1719 40 S 4.1345 8.6158 116.8461 61.1514 62.8135 174.8974 41 D 4.4997 7.9135 117.5331 53.1167 39.7518 176.8416 42 G 4.0119 7.7440 108.2595 45.4230 0.0000 174.1348 43 S 4.2102 8.2333 116.2377 58.1120 63.3661 173.6761 44 L 4.9511 7.9059 120.8544 55.5176 40.9024 176.8839 45 G 3.6483 7.6880 112.0100 45.9216 0.0000 170.5079 46 S 4.9517 8.1906 114.6156 57.3132 64.2208 174.7079 47 D 4.7202 7.9929 121.4388 52.0385 41.8935 175.4881 48 P 4.5840 0.0000 0.0000 61.4655 31.0032 179.2952 *50 K 4.2109 8.1730 121.1815 57.7878 34.3717 177.3904 51 I 3.7035 7.3684 119.8908 64.4183 36.9336 178.2253 52 I 3.6347 7.5440 120.0896 64.5930 36.9875 177.8307 53 D 4.3728 8.1491 118.9692 57.9424 40.4301 179.0168 54 T 3.7703 7.6012 114.1324 66.8552 68.6546 176.2988 55 I 3.2408 7.5347 121.2807 64.3530 36.8532 178.3242 56 N 4.3321 8.0724 116.2745 56.3436 38.4489 177.0727 57 E 4.1304 8.5465 118.7536 57.5024 29.7820 177.2148 58 A 4.4771 6.8420 121.4893 50.8711 19.6865 176.7078 59 D 4.5962 8.4529 119.2711 54.9826 41.3128 177.1067 60 S 4.6041 8.5362 115.7807 58.9821 63.0036 174.5272 61 D 4.9140 7.9032 118.8771 52.7758 39.5129 175.5143 62 R 4.7163 7.4943 117.1968 54.8781 33.2967 174.9634 63 E 4.3445 8.8801 122.9383 55.5024 31.4408 175.2433 64 F 4.9821 9.4985 124.4269 55.9595 41.1614 174.7574 65 L 4.7940 8.8022 124.9983 53.1404 43.6110 175.6811 66 I 4.5004 8.7087 127.0613 60.0173 38.8414 174.9641 67 F 5.1348 9.2849 125.9120 55.5970 41.6906 174.5002 68 A 5.6496 8.9692 123.6583 49.5557 22.1216 173.5143 69 D 4.6657 8.9584 115.6523 53.4585 41.2230 178.7062 70 L 4.7250 7.4277 118.4357 51.8207 44.9320 177.4532 71 G 3.6649 8.5800 104.8539 48.3733 0.0000 175.7849 72 S 4.1019 8.0626 114.7242 61.1000 62.5652 175.8508 73 A 4.0196 8.0381 123.0502 55.0811 18.2646 179.4561 74 V 3.5294 7.9028 116.6869 66.2352 31.5707 177.8916 75 L 4.1294 8.1347 120.1231 58.3952 41.8035 178.9604 76 S 4.1131 8.1812 113.0396 61.4868 62.2252 176.3405 77 S 4.2890 8.3943 118.0069 61.3663 62.5179 176.6209 78 E 4.0096 8.1987 121.3258 59.2013 29.1050 178.7690 79 L 3.9179 7.9415 118.9709 58.1655 42.1857 178.2534 80 A 4.0839 7.8712 119.3571 55.4411 18.3317 178.7891 81 F 3.3849 7.4342 117.0025 61.2254 39.4829 179.2380 82 D 4.3032 7.8365 117.4578 53.1098 41.0894 176.2813 *84 L 3.9701 7.4060 117.7305 54.2683 43.0676 177.1243 85 E 4.1786 8.5757 119.2685 55.9149 31.0560 178.0263 86 E 4.0583 8.5342 121.1113 59.5640 29.4733 178.8961 87 D 4.4006 7.9453 117.8537 57.4870 41.3283 178.2749 88 Q 4.3049 8.0011 118.0875 58.9835 28.7333 178.2742 89 Q 3.9786 8.4151 119.6021 58.8955 28.4668 178.8342 90 K 4.1479 7.8099 118.8926 58.6597 32.4185 176.7642 91 H 5.4293 8.2391 114.6067 55.1169 30.2608 173.1750 92 Y 5.1473 7.9266 121.2751 56.2817 40.2645 174.6412 93 H 4.8239 9.3273 124.8019 53.7114 31.7320 173.3903 94 L 4.2172 8.5247 124.6199 54.5609 41.9833 176.7894 95 V 3.8534 7.8909 125.3435 61.2031 32.4785 176.5801 96 D 4.5718 8.4764 128.7928 52.7188 39.5724 174.2321 97 A 4.7487 7.4815 124.0647 48.9916 23.0553 174.4637 98 P 4.4337 0.0000 0.0000 62.4554 32.2302 177.1189 99 L 3.9739 8.8675 123.8737 58.6156 42.3755 179.1043 100 V 3.6957 7.6666 117.0730 65.9211 31.6885 177.6958 101 E 4.0957 8.0740 117.8850 59.0991 29.4404 179.6341 102 G 3.5922 8.3877 105.9762 47.7681 0.0000 175.7040 103 A 2.7096 7.1194 123.8667 54.0463 18.1840 179.5704 104 F 3.8997 8.0345 118.7643 61.3510 39.4818 177.1459 105 A 3.9667 8.1853 120.7366 55.2053 18.0615 179.8313 106 S 4.0617 7.9506 112.2729 61.5439 63.0513 176.5549 107 A 3.8925 7.5808 123.4974 54.6660 18.4295 179.4384 108 I 3.5163 7.5017 118.3249 64.8080 36.9906 178.5354 109 T 3.7893 7.9844 112.8082 65.1848 67.2075 175.6816 110 A 4.2383 8.2165 122.2801 54.5611 18.3589 178.7567 111 G 3.5432 7.3973 102.6491 46.8063 0.0000 173.3476 *113 S 4.1089 7.8539 115.6773 58.8303 63.0536 173.7011 114 D 4.7145 8.5377 123.0955 52.9626 40.8087 175.7258 115 D 4.6792 7.9430 120.1276 54.0636 41.9650 176.5585 116 L 3.9456 8.3808 129.5509 58.4628 42.4048 178.5302 117 T 3.8625 8.0890 115.2846 66.9035 68.3210 176.1208 118 Q 4.1151 8.0913 119.0163 58.4451 28.8506 178.2704 119 I 3.7093 7.6105 120.6558 64.2933 37.0150 178.3439 120 L 4.0804 7.8808 119.1089 57.3063 41.6909 179.1829 121 A 3.9458 7.8837 120.4857 55.2979 18.1081 179.6071 122 E 3.9445 8.2238 115.8444 59.2304 29.7929 179.1297 123 A 4.2152 7.8303 120.9767 55.5142 18.3531 179.6768 124 Q 4.3564 8.4878 116.9171 57.9848 28.7691 178.0418 125 N 4.8210 7.6615 114.0688 51.9924 39.0821 175.0019 126 A 4.1505 7.1541 124.2912 52.7136 19.0983 178.5538 127 G 3.8372 9.0075 109.4497 45.8013 0.0000 174.0386 128 K 4.4408 7.5256 120.5409 52.7900 33.2206 181.0992 129 K 3.8360 8.3289 121.9401 54.7064 32.6985 177.0461 130 G 3.8819 7.9337 106.3162 46.3884 0.0000 174.6289 131 W 4.7474 8.3721 120.9802 56.4558 30.2437 176.3707 132 N 4.5790 8.3806 119.0441 53.8181 38.2392 173.7966 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 K 8.17 4.35 0.00 1.83 1.79 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.43 7.81 3 A 8.18 4.91 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 4 D 9.98 5.22 0.00 2.81 2.80 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 5 I 8.67 4.86 1.91 0.00 0.00 1.00 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 1.18 0.97 0.00 0.00 6 L 9.13 5.21 0.00 1.77 1.59 1.12 0.60 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 7 L 9.27 5.17 0.00 1.63 1.60 0.96 0.63 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 8 V 8.81 4.69 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 0.99 0.00 0.00 1.02 0.00 0.00 9 S 8.35 5.10 0.00 3.97 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 10 H 9.15 4.81 0.00 3.18 3.38 0.00 6.11 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.16 4.74 0.00 3.87 3.76 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 12 K 8.35 4.23 0.00 1.93 1.76 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.76 1.48 7.81 *14 I 8.01 4.10 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 1.48 0.41 0.92 0.00 0.00 15 T 7.65 3.99 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 1.31 0.00 0.00 16 D 8.65 4.44 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 17 G 8.07 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.95 3.86 1.87 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 1.38 0.69 0.89 0.00 0.00 19 K 8.05 4.09 0.00 1.87 2.07 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.54 7.81 20 E 8.26 3.86 0.00 2.07 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 2.31 2.35 0.00 *22 I 7.66 4.28 2.02 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 1.57 0.91 0.86 0.00 0.00 23 E 8.07 4.13 0.00 1.99 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 2.42 0.00 24 Q 7.73 4.36 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 *26 N 8.18 4.60 0.00 2.79 2.01 0.00 0.00 6.96 7.66 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 *29 E 8.93 4.26 0.00 2.01 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 2.13 1.91 0.00 30 E 8.49 4.68 0.00 1.91 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 2.21 2.28 0.00 31 I 7.57 4.49 1.83 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 1.30 0.79 0.97 0.00 0.00 32 T 7.97 4.39 4.43 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 1.10 0.00 0.00 33 I 8.30 4.83 1.85 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 1.33 0.55 0.92 0.00 0.00 34 H 9.53 4.78 0.00 3.06 3.24 0.00 5.61 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.86 4.72 0.00 3.90 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 36 L 8.72 4.81 0.00 1.66 1.65 0.94 0.98 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 37 G 7.98 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 0.00 0.00 0.00 38 G 8.85 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 0.00 0.00 0.00 39 T 8.48 4.26 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 1.26 0.00 0.00 40 S 8.62 4.13 0.00 4.02 3.99 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 41 D 7.91 4.50 0.00 2.79 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 42 G 7.74 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 0.00 0.00 0.00 43 S 8.23 4.21 0.00 3.92 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 44 L 7.91 4.95 0.00 1.67 1.73 0.94 1.02 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 45 G 7.69 3.65 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 0.00 0.00 0.00 46 S 8.19 4.95 0.00 3.83 3.77 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 47 D 7.99 4.72 0.00 2.74 2.48 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 0.00 0.00 0.00 0.00 48 P 0.00 4.58 0.00 2.26 2.40 0.00 3.78 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 2.07 1.96 0.00 *50 K 8.17 4.21 0.00 2.05 1.97 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.47 7.81 51 I 7.37 3.70 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.78 1.07 0.00 0.00 52 I 7.54 3.63 1.84 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 1.46 0.76 0.86 0.00 0.00 53 D 8.15 4.37 0.00 2.84 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 54 T 7.60 3.77 4.32 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 0.00 0.00 0.90 0.00 0.00 55 I 7.53 3.24 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 1.61 1.52 0.46 0.00 0.00 56 N 8.07 4.33 0.00 2.64 2.86 0.00 0.00 7.13 8.49 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 57 E 8.55 4.13 0.00 2.13 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 2.35 2.37 0.00 58 A 6.84 4.48 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.45 4.60 0.00 2.72 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 60 S 8.54 4.60 0.00 3.87 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 61 D 7.90 4.91 0.00 2.72 2.68 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 62 R 7.49 4.72 0.00 1.19 1.57 0.00 3.20 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 63 E 8.88 4.34 0.00 1.76 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 2.39 0.00 64 F 9.50 4.98 0.00 2.87 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 65 L 8.80 4.79 0.00 1.73 1.43 1.00 0.43 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 66 I 8.71 4.50 1.56 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.29 0.87 0.00 0.00 67 F 9.28 5.13 0.00 2.95 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 68 A 8.97 5.65 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 69 D 8.96 4.67 0.00 2.82 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 70 L 7.43 4.72 0.00 1.72 1.65 0.91 0.83 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 71 G 8.58 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 0.00 0.00 0.00 72 S 8.06 4.10 0.00 3.99 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 73 A 8.04 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 74 V 7.90 3.53 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 1.00 0.00 0.00 0.98 0.00 0.00 75 L 8.13 4.13 0.00 2.04 1.84 0.93 1.07 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 76 S 8.18 4.11 0.00 4.07 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 77 S 8.39 4.29 0.00 4.09 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 78 E 8.20 4.01 0.00 2.25 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 2.32 2.49 0.00 79 L 7.94 3.92 0.00 1.62 1.95 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.87 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 81 F 7.43 3.38 0.00 2.23 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 82 D 7.84 4.30 0.00 2.86 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 *84 L 7.41 3.97 0.00 1.38 1.46 0.56 0.93 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 85 E 8.58 4.18 0.00 1.94 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 2.34 2.42 0.00 86 E 8.53 4.06 0.00 1.96 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 2.36 2.37 0.00 87 D 7.95 4.40 0.00 2.70 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 88 Q 8.00 4.30 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 89 Q 8.42 3.98 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 1.16 2.02 0.00 90 K 7.81 4.15 0.00 1.74 1.99 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 91 H 8.24 5.43 0.00 3.51 3.49 0.00 5.64 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 7.93 5.15 0.00 3.25 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 93 H 9.33 4.82 0.00 3.03 3.11 0.00 5.67 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 94 L 8.52 4.22 0.00 1.42 1.55 0.73 1.09 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 95 V 7.89 3.85 1.11 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 0.65 0.00 0.00 0.41 0.00 0.00 96 D 8.48 4.57 0.00 2.76 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.48 4.75 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 98 P 0.00 4.43 0.00 2.42 2.20 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 99 L 8.87 3.97 0.00 1.92 1.75 1.02 0.94 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 0.00 100 V 7.67 3.70 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 0.95 0.00 0.00 0.91 0.00 0.00 101 E 8.07 4.10 0.00 2.07 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 2.30 2.34 0.00 102 G 8.39 3.59 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 0.00 0.00 0.00 103 A 7.12 2.71 0.89 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 0.00 104 F 8.03 3.90 0.00 3.08 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 0.00 105 A 8.19 3.97 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 0.00 106 S 7.95 4.06 0.00 4.25 4.43 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 0.00 107 A 7.58 3.89 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 0.00 108 I 7.50 3.52 1.72 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.16 0.77 0.00 0.00 109 T 7.98 3.79 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 1.25 0.00 0.00 110 A 8.22 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.40 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.85 4.11 0.00 3.84 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 0.00 114 D 8.54 4.71 0.00 2.71 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 0.00 115 D 7.94 4.68 0.00 2.78 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 0.00 116 L 8.38 3.95 0.00 1.74 1.59 0.81 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.09 3.86 4.34 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 1.20 0.00 0.00 118 Q 8.09 4.12 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.62 2.37 0.00 119 I 7.61 3.71 1.98 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 1.50 0.94 0.92 0.00 0.00 120 L 7.88 4.08 0.00 1.67 1.67 0.82 0.97 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 0.00 121 A 7.88 3.95 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 0.00 122 E 8.22 3.94 0.00 2.04 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 2.45 2.46 0.00 123 A 7.83 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.49 4.36 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.01 0.00 0.00 0.00 0.00 0.00 2.58 2.40 0.00 125 N 7.66 4.82 0.00 2.72 2.82 0.00 0.00 7.00 6.62 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 0.00 126 A 7.15 4.15 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 0.00 127 G 9.01 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 0.00 128 K 7.53 4.44 0.00 1.78 1.60 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.00 7.81 129 K 8.33 3.84 0.00 0.79 0.74 0.00 1.07 0.00 0.00 1.24 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.89 0.25 7.81 130 G 7.93 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 0.00 0.00 0.00 131 W 8.37 4.75 0.00 3.38 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 0.00 132 N 8.38 4.58 0.00 2.89 2.81 0.00 0.00 6.74 7.56 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 * Residues marked with a * may have inaccurate shift predictions.