NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2653 8.1749 115.2457 61.7720 68.5195 173.1667 3 I 3.9804 8.1852 129.5692 60.4885 38.0735 173.6261 4 H 4.8665 9.5287 122.4378 53.8593 32.3483 172.8547 5 K 4.9004 8.6209 122.9967 54.3909 35.4738 175.4765 6 K 4.7570 9.1055 121.2142 54.6552 35.6229 175.4358 7 G 4.6401 8.5596 109.1937 44.8919 0.0000 170.9642 8 Q 4.8891 9.0048 117.1560 55.3085 32.5424 172.9951 9 A 5.1935 8.2695 119.5097 51.2652 22.4118 175.0479 10 H 5.1174 9.5914 118.8374 54.3324 33.6354 172.1495 11 W 5.4595 8.4516 133.2553 55.7595 34.1329 173.5661 12 E 4.6085 7.7051 123.2514 55.7413 32.8382 176.9616 13 S 4.1724 8.7542 116.6354 57.4280 62.4257 169.2450 14 D 4.8163 8.1525 118.3647 53.1550 40.8103 175.8629 15 I 4.0928 8.4957 120.1178 64.6919 38.5053 178.6897 *16 K 4.1234 8.3456 123.0329 57.8207 31.7992 180.9992 *17 R 4.3576 9.1478 116.4536 56.2051 29.8517 178.2791 18 G 4.5618 8.1459 103.8066 45.7796 0.0000 172.5108 19 K 3.6985 7.4014 117.6976 55.5533 36.6671 174.8144 20 G 4.4437 7.5680 106.7961 45.5034 0.0000 171.3032 21 T 5.7088 9.3178 108.9964 60.2198 72.8330 173.3523 22 V 4.9768 9.0238 121.2096 60.4780 35.1482 174.4858 23 S 5.2054 9.1075 117.8457 57.5271 68.0122 172.6890 24 T 5.0397 8.7490 110.6696 59.6977 71.7157 174.8609 25 E 4.1328 8.8322 121.2570 59.4190 29.5823 178.7054 26 S 4.1302 8.1709 114.2149 59.5928 63.3188 175.1621 27 G 4.0350 7.9731 108.8604 45.0832 0.0000 174.7837 28 V 3.7014 7.2595 112.0537 63.4659 31.9075 176.4047 29 L 4.6297 7.7868 119.5281 52.7092 43.7353 175.0928 30 N 4.9460 8.3003 121.4759 52.3971 40.2412 173.4892 31 Q 3.4381 8.9684 128.0658 56.6827 27.2589 174.4767 32 Q 4.2419 8.1619 118.8290 55.1753 30.2450 173.7132 33 P 5.0618 0.0000 0.0000 63.4724 32.2428 175.1102 34 Y 4.8426 8.4805 119.5485 56.8248 41.8870 174.4953 35 G 4.4383 8.5729 108.0049 44.4554 0.0000 173.4282 36 F 4.3651 9.2043 120.2192 61.3512 39.2363 177.1890 37 N 4.3310 8.4866 116.4320 56.6576 36.7503 177.1425 38 T 4.6817 7.7914 112.0692 62.9184 69.1557 175.9664 39 R 3.8314 7.7364 120.8009 58.2353 30.4165 177.4103 40 F 4.5284 7.9277 115.0293 57.3440 40.2593 176.3076 41 E 4.3732 7.8030 115.5494 55.5106 29.6962 176.4360 42 G 3.8655 8.0884 106.0113 45.8075 0.0000 173.6296 43 E 4.0393 7.9995 121.4606 55.0133 30.1826 176.2125 44 K 4.0941 8.8000 127.1896 55.5983 32.5857 176.2870 45 G 4.0555 7.9411 115.6457 45.4863 0.0000 171.2695 46 T 4.5717 8.1832 114.2695 61.0420 68.2225 172.9470 47 N 4.4368 7.8781 119.7682 50.5429 40.5261 173.5281 48 P 4.1283 0.0000 0.0000 65.6952 31.2837 178.8104 49 E 3.9259 8.0335 117.0949 59.4325 29.5081 179.1527 50 E 3.9718 9.1316 117.7907 59.1421 29.6024 179.1960 51 L 3.9808 7.6396 120.3759 57.7126 41.6094 179.4156 52 I 3.8004 7.9797 120.0015 64.0981 36.9519 178.6787 53 G 3.6077 8.3122 106.5150 47.8052 0.0000 175.5120 54 A 4.0064 8.3598 123.8558 54.6950 18.3060 179.5227 55 A 3.9333 8.1844 119.3351 55.5490 18.4248 179.3928 56 H 4.1678 8.6633 116.8493 59.4077 30.0268 177.2314 57 A 4.0471 8.4560 122.8064 55.2030 17.9746 179.5148 58 A 3.9681 8.0241 118.1352 55.3438 18.5620 179.1428 59 C 4.2060 8.1818 116.2537 62.6634 31.9825 175.1074 60 F 4.3507 8.6747 122.6326 61.3951 38.8937 177.6669 61 S 4.2041 8.1428 111.9285 59.0047 62.1625 175.9586 *63 A 4.1780 7.9735 127.0708 52.1583 20.3042 179.7630 64 L 3.6647 7.6242 116.7034 58.1102 42.5403 178.1427 65 S 4.1653 8.0538 113.3137 61.4105 62.4438 176.2055 66 L 4.1132 7.3095 117.9369 56.3131 41.7924 178.1521 *68 L 4.3855 8.0687 118.9479 54.5648 43.7579 179.3667 69 G 3.8454 8.3692 107.5336 48.0544 0.0000 175.5944 70 E 4.0104 8.3477 118.8039 58.4988 29.4710 177.7491 71 A 4.2496 7.9170 119.2298 52.1606 19.3027 177.5040 72 G 3.6587 8.4756 104.3526 45.4782 0.0000 173.4463 73 F 4.9885 8.7053 119.9829 56.0285 41.8318 175.3530 *74 T 4.7320 8.4880 115.9589 58.0517 70.6011 171.7592 75 P 4.6693 0.0000 0.0000 61.8412 32.2553 176.6438 76 T 4.2322 8.8817 120.7418 66.5798 69.0308 174.8906 77 S 4.7202 7.6494 112.7868 57.5186 66.1959 174.0558 78 I 5.1472 8.2532 121.3120 59.9431 40.9780 174.3545 79 D 4.8625 9.3596 126.1889 52.9806 44.1626 174.7525 80 T 5.2365 8.7284 119.7319 61.9525 72.0440 173.6957 81 T 4.7125 9.0626 121.4799 61.6134 72.1106 172.7854 82 A 4.8887 8.6326 127.1881 50.2721 21.2673 175.2303 83 D 4.6161 9.1212 124.2309 53.1874 42.5265 175.2715 84 V 4.5826 8.2562 126.7758 61.8627 32.9158 175.0134 85 S 4.6589 9.0414 124.9355 57.1459 64.6336 172.8550 86 L 4.9021 8.6263 127.0994 53.6996 43.4113 174.9656 87 D 5.1122 9.0963 126.9779 52.5303 43.7621 175.7066 88 K 3.9627 8.4956 122.6523 55.7689 33.3903 176.2024 89 V 4.5001 8.5796 120.0875 59.0838 35.5224 176.2464 90 D 4.2591 8.8209 119.5984 57.8551 40.4755 178.6505 91 A 4.2173 7.9620 119.3662 52.8299 20.5307 178.4093 92 G 4.3848 6.7382 106.6045 45.6257 0.0000 174.7715 93 F 5.3051 8.8426 116.1459 55.8887 43.6567 173.4657 94 A 4.6526 8.7443 121.5532 51.1787 22.9712 176.2087 95 I 4.8282 8.7326 122.4316 60.4066 36.8094 175.6880 96 T 4.3307 8.4988 118.4525 63.0434 70.5348 174.3655 97 K 4.9950 7.5995 121.0684 55.5479 36.0682 174.0912 98 I 4.9828 8.8299 125.4342 59.5785 41.0331 174.1296 99 A 4.7565 8.9698 130.0255 49.6303 20.7233 175.4507 100 L 4.7910 8.5269 123.3197 53.7582 43.8523 176.0247 101 K 5.0736 8.9124 124.2334 54.7352 35.2925 174.7297 102 S 5.3259 9.3469 121.6540 56.5821 66.4802 172.1945 103 E 5.2421 9.5116 125.6942 54.6963 31.9925 175.1539 104 V 4.9282 8.8406 124.1097 60.8683 35.4734 173.9810 105 A 5.0109 8.7652 128.4877 50.3192 21.3107 175.5069 106 V 4.3579 8.5839 122.7236 60.2964 33.6048 172.2326 107 P 4.1256 0.0000 0.0000 63.8865 31.6100 177.4973 108 G 3.9327 8.8460 109.8379 45.6800 0.0000 173.5762 109 I 3.6799 7.0286 119.9930 60.1134 38.6557 175.6303 110 D 4.4342 8.4831 125.6176 53.9921 42.8779 176.8872 111 A 4.0308 8.6073 128.6653 55.5778 18.6637 179.9836 112 S 4.1172 8.1402 111.0206 61.7390 62.4027 176.1611 113 T 3.8768 8.5555 118.8202 66.6828 68.1808 176.2608 114 F 3.9351 8.4765 122.7407 61.2903 39.4105 176.4552 115 D 4.3396 8.4412 117.7980 57.3835 41.0878 178.5896 116 G 3.5643 7.9760 105.8509 47.7056 0.0000 175.8199 117 I 3.5753 7.2937 122.1585 64.2020 37.1759 178.4774 118 I 3.3783 7.2673 119.6438 63.9269 37.7184 177.9538 119 Q 4.0084 7.8729 119.1569 58.7459 28.4491 178.6798 120 K 4.0127 7.8644 118.9811 59.2216 32.0078 179.3377 121 A 3.9464 7.9537 121.2919 54.8931 18.0650 179.5191 122 K 4.1091 8.3327 117.1708 59.4420 32.3352 178.2029 123 A 4.4793 7.9647 119.1700 53.2518 19.2955 178.5787 124 G 3.9017 8.1005 102.4551 44.2750 0.0000 174.1032 125 C 4.4081 7.5479 116.7433 57.2696 30.7967 172.7528 126 P 4.2068 0.0000 0.0000 66.2045 30.6616 179.1458 127 V 3.5726 7.7016 114.7447 65.9311 31.9047 177.6932 128 S 4.2139 8.0528 114.4403 61.8387 62.5655 176.4351 129 Q 4.0492 8.0980 119.7208 58.8705 28.5537 178.9209 130 V 3.8440 7.6105 117.8451 62.0196 32.2039 176.0240 131 L 4.4999 7.1570 120.0581 53.6048 42.6276 176.7616 132 K 4.2066 8.4925 121.0466 57.0699 32.7793 177.0075 133 A 4.2916 7.5989 120.5083 51.3070 19.4302 176.9122 134 E 4.0797 8.8476 121.2937 56.3602 30.9855 175.7405 135 I 5.0466 8.3868 127.0959 59.7967 39.6389 174.9176 136 T 4.7161 8.5136 116.9846 59.7787 72.1001 172.9396 137 L 4.9474 8.2545 123.0837 53.5420 45.4253 175.1610 138 D 5.0258 9.1953 125.1155 52.8272 44.6491 174.2341 139 Y 5.5804 8.3709 120.2434 55.5884 42.3220 174.6087 140 Q 4.3550 9.2248 117.4947 54.3272 32.5617 174.0555 141 L 4.8971 8.7260 126.7225 53.4781 43.8084 175.5970 142 K 4.5691 9.0588 126.6131 54.6640 34.0415 176.8197 143 S 4.1887 8.2441 119.1062 58.4495 63.0869 173.8441 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 T 8.17 4.27 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 1.29 0.00 0.00 3 I 8.19 3.98 1.85 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 1.41 0.77 0.91 0.00 0.00 4 H 9.53 4.87 0.00 3.06 3.19 0.00 5.83 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.62 4.90 0.00 1.69 1.67 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.36 7.81 6 K 9.11 4.76 0.00 1.68 1.67 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.37 7.81 7 G 8.56 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.00 4.89 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 9 A 8.27 5.19 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 10 H 9.59 5.12 0.00 3.29 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.45 5.46 0.00 3.50 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 12 E 7.71 4.61 0.00 1.95 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 2.02 2.02 0.00 13 S 8.75 4.17 0.00 3.99 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 14 D 8.15 4.82 0.00 2.98 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 15 I 8.50 4.09 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.67 0.80 0.00 0.00 *16 K 8.35 4.12 0.00 1.82 1.70 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.00 7.81 *17 R 9.15 4.36 0.00 1.75 1.85 0.00 3.23 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 18 G 8.15 4.56 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 0.00 0.00 0.00 19 K 7.40 3.70 0.00 1.43 1.54 0.00 1.14 0.00 0.00 1.51 0.00 0.00 2.67 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.98 1.05 7.81 20 G 7.57 4.44 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 0.00 0.00 0.00 21 T 9.32 5.71 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 1.27 0.00 0.00 22 V 9.02 4.98 1.77 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 0.75 0.00 0.00 0.89 0.00 0.00 23 S 9.11 5.21 0.00 3.76 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 24 T 8.75 5.04 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 1.20 0.00 0.00 25 E 8.83 4.13 0.00 2.02 2.22 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 2.31 2.27 0.00 26 S 8.17 4.13 0.00 4.00 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 0.00 27 G 7.97 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 0.00 0.00 0.00 0.00 28 V 7.26 3.70 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 0.70 0.00 0.00 0.93 0.00 0.00 29 L 7.79 4.63 0.00 1.65 1.53 0.89 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.30 4.95 0.00 2.60 2.68 0.00 0.00 7.34 7.08 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 31 Q 8.97 3.44 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.61 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 32 Q 8.16 4.24 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 33 P 0.00 5.06 0.00 2.00 1.96 0.00 3.80 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 2.03 2.10 0.00 34 Y 8.48 4.84 0.00 3.19 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 35 G 8.57 4.44 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 0.00 0.00 0.00 36 F 9.20 4.37 0.00 3.48 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 37 N 8.49 4.33 0.00 3.15 3.18 0.00 0.00 6.00 7.22 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 38 T 7.79 4.68 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 1.32 0.00 0.00 39 R 7.74 3.83 0.00 1.65 1.38 0.00 3.00 0.00 0.00 2.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 40 F 7.93 4.53 0.00 1.79 2.46 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 0.00 41 E 7.80 4.37 0.00 2.13 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 0.00 2.12 2.39 0.00 42 G 8.09 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 0.00 0.00 0.00 43 E 8.00 4.04 0.00 2.05 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 2.31 2.26 0.00 44 K 8.80 4.09 0.00 1.75 1.72 0.00 1.98 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 45 G 7.94 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 0.00 0.00 0.00 0.00 46 T 8.18 4.57 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 1.30 0.00 0.00 47 N 7.88 4.44 0.00 2.84 2.80 0.00 0.00 5.92 7.76 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 48 P 0.00 4.13 0.00 2.08 2.05 0.00 3.46 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 49 E 8.03 3.93 0.00 2.14 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 2.30 2.37 0.00 50 E 9.13 3.97 0.00 2.12 2.17 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 2.53 2.31 0.00 51 L 7.64 3.98 0.00 1.76 1.71 0.82 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.98 3.80 1.97 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 0.76 0.89 0.00 0.00 53 G 8.31 3.61 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 0.00 0.00 0.00 54 A 8.36 4.01 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 55 A 8.18 3.93 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 56 H 8.66 4.17 0.00 3.32 3.39 0.00 5.62 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 57 A 8.46 4.05 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 58 A 8.02 3.97 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 59 C 8.18 4.21 0.00 3.06 3.20 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 60 F 8.67 4.35 0.00 3.13 3.14 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 61 S 8.14 4.20 0.00 3.94 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 *63 A 7.97 4.18 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 64 L 7.62 3.66 0.00 0.91 1.46 0.58 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.05 4.17 0.00 3.88 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 66 L 7.31 4.11 0.00 1.61 1.73 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 *68 L 8.07 4.39 0.00 2.01 2.01 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.37 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 0.00 0.00 0.00 70 E 8.35 4.01 0.00 1.96 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 2.33 2.54 0.00 71 A 7.92 4.25 1.51 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 0.00 0.00 72 G 8.48 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 73 F 8.71 4.99 0.00 3.21 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 *74 T 8.49 4.73 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 1.21 0.00 0.00 75 P 0.00 4.67 0.00 2.19 2.13 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 76 T 8.88 4.23 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 1.21 0.00 0.00 77 S 7.65 4.72 0.00 3.86 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 78 I 8.25 5.15 1.88 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 1.38 0.68 0.95 0.00 0.00 79 D 9.36 4.86 0.00 2.58 2.57 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 0.00 0.00 0.00 80 T 8.73 5.24 4.38 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 1.29 0.00 0.00 81 T 9.06 4.71 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 1.20 0.00 0.00 82 A 8.63 4.89 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 83 D 9.12 4.62 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.26 4.58 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 0.83 0.00 0.00 0.98 0.00 0.00 85 S 9.04 4.66 0.00 3.90 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.63 4.90 0.00 1.57 1.55 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 87 D 9.10 5.11 0.00 2.66 2.57 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 0.00 0.00 0.00 88 K 8.50 3.96 0.00 1.49 1.56 0.00 0.61 0.00 0.00 0.88 0.00 0.00 2.69 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.16 1.20 7.81 89 V 8.58 4.50 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 0.82 0.00 0.00 0.94 0.00 0.00 90 D 8.82 4.26 0.00 2.63 2.71 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 91 A 7.96 4.22 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 92 G 6.74 4.38 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 0.00 93 F 8.84 5.31 0.00 3.10 3.07 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 0.00 0.00 0.00 94 A 8.74 4.65 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 95 I 8.73 4.83 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.71 0.91 0.00 0.00 96 T 8.50 4.33 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 1.30 0.00 0.00 97 K 7.60 5.00 0.00 1.82 1.63 0.00 1.65 0.00 0.00 1.98 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.66 7.81 98 I 8.83 4.98 1.91 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 1.17 0.91 0.92 0.00 0.00 99 A 8.97 4.76 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 0.00 100 L 8.53 4.79 0.00 1.35 1.12 0.19 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.91 5.07 0.00 1.77 1.60 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.36 7.81 102 S 9.35 5.33 0.00 4.09 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 0.00 103 E 9.51 5.24 0.00 1.92 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 2.26 0.00 104 V 8.84 4.93 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 0.92 0.00 0.00 1.13 0.00 0.00 105 A 8.77 5.01 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 0.00 106 V 8.58 4.36 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 0.88 0.00 0.00 0.89 0.00 0.00 107 P 0.00 4.13 0.00 2.09 2.00 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 108 G 8.85 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.03 3.68 1.32 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.11 0.71 0.00 0.00 110 D 8.48 4.43 0.00 2.86 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 0.00 111 A 8.61 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 0.00 112 S 8.14 4.12 0.00 3.94 4.13 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 0.00 113 T 8.56 3.88 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 1.30 0.00 0.00 114 F 8.48 3.94 0.00 3.04 3.20 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 0.00 115 D 8.44 4.34 0.00 3.06 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 0.00 116 G 7.98 3.56 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 0.00 0.00 0.00 117 I 7.29 3.58 1.65 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.96 0.74 0.00 0.00 118 I 7.27 3.38 0.60 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.20 0.30 0.00 0.00 119 Q 7.87 4.01 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 120 K 7.86 4.01 0.00 1.91 1.82 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.56 7.81 121 A 7.95 3.95 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 0.00 122 K 8.33 4.11 0.00 2.00 2.05 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.25 7.81 123 A 7.96 4.48 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 0.00 124 G 8.10 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 0.00 125 C 7.55 4.41 0.00 3.19 3.20 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 0.00 126 P 0.00 4.21 0.00 2.18 2.16 0.00 3.61 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 2.17 0.00 127 V 7.70 3.57 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 0.75 0.00 0.00 0.94 0.00 0.00 128 S 8.05 4.21 0.00 4.13 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 0.00 129 Q 8.10 4.05 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.96 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 130 V 7.61 3.84 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 0.79 0.00 0.00 0.92 0.00 0.00 131 L 7.16 4.50 0.00 1.76 1.60 0.76 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.49 4.21 0.00 1.74 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.42 7.81 133 A 7.60 4.29 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 0.00 134 E 8.85 4.08 0.00 2.09 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 2.29 0.00 135 I 8.39 5.05 1.87 0.00 0.00 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 1.45 1.02 0.89 0.00 0.00 136 T 8.51 4.72 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 1.20 0.00 0.00 137 L 8.25 4.95 0.00 1.50 1.54 0.82 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 138 D 9.20 5.03 0.00 2.59 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 0.00 139 Y 8.37 5.58 0.00 3.18 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 0.00 140 Q 9.22 4.35 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.86 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 141 L 8.73 4.90 0.00 1.40 1.57 -0.09 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 142 K 9.06 4.57 0.00 1.61 1.66 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.32 7.81 143 S 8.24 4.19 0.00 3.81 3.56 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 * Residues marked with a * may have inaccurate shift predictions.