NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.0148 8.2833 118.2000 53.1529 38.6923 174.5837 2 F 3.9500 9.1507 114.1881 60.7498 38.8982 176.5547 3 F 4.3857 8.9109 118.1671 61.2588 38.8982 177.5475 4 Q 4.1856 8.3085 117.3422 58.7183 28.4347 178.4146 5 F 4.7330 8.3123 121.9200 60.9114 39.6344 177.2107 6 A 3.8695 8.4312 120.2302 54.4816 18.0344 178.7471 7 E 4.1470 7.8976 117.2503 58.6179 29.9739 178.2684 8 M 4.0860 7.9035 118.9021 57.8685 31.6691 178.4298 9 I 3.5798 7.9097 120.3610 64.6006 37.1186 178.5577 10 V 3.7216 7.0139 116.5872 65.9409 31.2218 177.9831 11 K 3.8832 7.1642 116.1340 59.3615 32.0805 178.6516 12 M 4.4640 7.6660 115.5373 54.8328 32.2942 175.9351 13 T 4.6829 8.0207 110.9304 61.9203 67.0733 176.5513 14 G 4.0936 8.7617 105.2725 43.5048 0.0000 173.1146 *16 K 4.1452 8.5901 120.6268 56.0186 34.1784 176.5970 17 E 4.6051 7.8553 114.9610 54.8500 30.7706 174.7149 18 A 3.8894 8.3500 126.8386 55.9783 20.2443 182.0560 19 V 2.4454 8.2025 106.6045 62.8766 33.6635 179.7892 20 H 3.5695 8.1638 112.9785 57.3124 30.9736 176.4064 21 S 3.3370 7.6292 114.9372 61.0569 62.3995 175.1932 22 Y 4.9430 8.7107 116.7444 57.6509 37.9675 177.3025 23 A 4.0913 8.9381 126.4858 54.6007 18.8017 178.5160 24 I 4.1630 7.5851 104.1436 60.9202 40.5937 172.7073 25 Y 5.0545 8.5816 124.6974 57.5066 42.5047 173.8425 26 G 3.2913 7.4809 115.5398 47.5489 0.0000 173.6088 27 C 4.6886 10.1128 121.8277 56.4661 40.9810 174.6922 28 Y 4.1649 7.7116 115.4024 59.3891 41.6149 175.3736 29 C 4.2121 8.1456 115.1881 60.2992 41.7910 177.1747 30 G 4.3330 7.5145 117.4492 45.0298 0.0000 176.8844 31 W 4.5421 9.3420 119.6320 56.8476 27.4220 174.6775 32 G 3.8038 7.5207 116.6563 46.1344 0.0000 173.8572 33 G 3.9412 9.2224 106.9276 44.3345 0.0000 171.8325 34 Q 4.3590 6.3516 118.1094 56.6642 33.9710 175.4182 35 G 4.1406 7.8614 109.0629 45.3478 0.0000 172.3750 36 K 4.6997 8.2983 120.3231 53.6014 34.2968 174.4482 37 P 4.4302 0.0000 0.0000 62.9262 31.5344 176.1479 38 Q 4.1859 8.3506 120.6524 57.4964 29.6445 177.2979 39 D 5.1834 7.5480 119.5198 52.1706 41.8034 176.5155 40 A 3.9350 8.7987 117.2821 55.9647 18.5389 179.9956 41 T 3.8847 8.2077 113.9304 66.5297 68.1372 175.6656 42 D 4.8489 8.0811 118.2792 55.7314 41.3386 177.9905 43 R 4.1932 7.9819 118.3473 59.4822 30.7585 177.5076 44 C 4.0873 8.2448 115.8090 60.6546 39.4879 177.0237 45 C 4.2592 7.8635 116.2890 59.9364 38.0161 175.9812 46 F 4.0116 7.8483 121.3012 61.0587 38.5363 177.4928 47 V 3.0793 7.7637 118.1107 65.9847 31.3136 177.4224 48 H 3.9768 7.9016 117.5612 59.1699 29.4291 176.2377 49 D 4.4867 7.3799 116.6679 55.4609 41.0478 176.7711 50 C 4.4202 7.0757 117.3262 58.5930 40.9980 175.0408 51 C 4.0836 8.8030 120.3872 59.7850 43.2808 173.9714 52 Y 4.1200 8.3413 115.1580 59.0694 37.7525 176.5549 53 G 3.8325 8.2553 110.2651 47.7548 0.0000 176.4444 54 T 3.8372 7.8290 108.8469 63.1939 68.7474 174.5070 55 V 3.5520 7.0854 122.8351 62.8740 31.3346 174.6219 56 N 4.2768 8.0273 127.0560 56.0028 39.1701 176.1762 *58 D 4.7597 7.5888 119.1131 53.6245 43.6721 174.6393 59 C 3.7583 7.7050 112.9026 55.8938 40.6858 173.1130 *61 N 4.8852 8.2941 117.1285 53.1307 38.2047 173.1043 *68 P 4.2221 0.0000 0.0000 61.8439 33.5913 179.0422 69 K 4.5664 7.9654 120.0811 59.2836 32.4913 177.5589 70 M 4.3172 8.8318 117.8626 56.2464 33.1176 176.7120 71 A 4.0328 7.4704 120.7427 52.3183 18.8581 177.2177 72 T 4.5166 8.4977 119.7618 60.9897 68.3557 174.1332 73 Y 4.6049 7.8300 124.6986 56.5030 39.4818 174.7198 74 S 5.0401 10.2224 116.3266 56.8448 64.2410 172.3932 75 Y 5.4426 8.2589 123.5727 56.5438 40.9053 173.4640 76 S 4.5114 10.0662 114.7561 56.5673 66.4615 172.8202 77 F 5.3972 8.6354 127.4268 56.9761 37.6489 173.6569 78 E 3.8999 8.7644 120.8447 56.3765 29.8823 176.6890 79 N 3.6883 9.4599 114.4947 55.1030 35.0447 172.9519 80 G 3.9613 7.2161 109.4017 45.4954 0.0000 170.1007 81 D 4.7616 7.4902 120.2766 51.9498 42.9126 175.0883 82 I 4.7077 8.4536 127.8725 60.8051 37.4970 174.9985 83 V 4.2951 8.9433 128.5411 61.4373 33.4563 173.9159 84 C 5.2139 8.8866 125.6801 55.6429 40.7990 173.8663 85 G 3.7063 8.7314 111.2072 46.7580 0.0000 173.1857 86 D 4.4391 8.1899 121.1446 55.2386 41.2646 177.1917 *88 N 5.1463 8.4927 118.5241 52.8470 40.6951 174.4453 89 N 4.6237 7.8582 117.4730 52.2928 39.8984 174.4848 90 L 3.9186 8.6418 128.6597 58.4067 41.5974 180.1124 91 C 4.2810 7.9062 117.1196 59.1582 45.1355 174.9229 92 L 4.1022 7.9018 119.9999 57.9577 40.8706 179.2072 93 K 3.9467 8.3339 119.3456 59.9684 31.6754 178.5494 94 T 3.9646 8.0744 116.2445 66.9424 68.2105 175.8050 95 V 3.5457 7.5356 117.2913 64.3119 31.9129 176.7422 96 C 3.1958 8.9101 119.0704 59.5374 43.2931 174.7402 97 E 3.6379 7.9635 120.2652 59.9768 28.9224 178.4966 98 C 4.3090 7.7947 117.5326 58.9984 36.6931 175.3401 99 D 3.6883 7.7945 119.9225 57.9427 40.7832 179.0941 100 R 3.8795 7.9719 118.9256 59.0827 30.0111 178.0142 101 A 3.9502 8.4824 120.2893 55.5454 18.4549 179.5882 102 A 3.8161 8.2104 118.8862 55.0006 18.2845 179.1913 103 A 4.2073 8.4003 117.2622 53.5378 18.8025 178.5331 104 I 4.1786 7.3383 117.3241 63.3166 38.6490 176.5216 105 C 3.9744 8.5473 119.3609 60.2675 43.1421 175.5953 106 L 3.8680 7.9133 120.0965 57.6947 41.5579 179.6243 107 G 3.8176 7.7054 104.1039 47.3473 0.0000 175.6558 108 Q 4.3608 7.9154 118.2704 57.2837 28.7463 176.6710 109 N 5.3522 7.5872 116.3929 51.8171 40.2253 176.6505 110 V 3.8718 7.9600 114.4414 63.7913 31.9128 178.5490 111 N 4.3643 8.3526 117.7944 56.2023 37.1738 176.6138 112 T 4.3632 7.6235 112.6518 63.5463 68.8719 174.2468 113 Y 4.1005 7.6997 124.4245 57.7514 38.9996 174.8227 114 D 4.7998 8.0116 126.8024 52.5438 42.8490 175.2795 115 K 4.3189 7.6727 121.0078 58.3900 32.8175 178.9944 116 N 4.4483 7.9357 119.5644 56.3404 39.0799 176.1368 117 Y 4.7822 7.9403 115.4417 60.3223 38.3340 176.3697 118 E 5.2076 8.6240 119.9580 57.0342 30.1144 176.4061 119 N 3.9317 8.4655 116.9048 54.1249 36.3646 174.0622 120 Y 4.5732 7.7013 119.0660 55.6743 37.6162 174.8819 121 A 4.2951 8.2234 125.7048 50.9133 20.9078 175.9418 122 I 3.7722 7.7327 116.1300 61.0981 39.3796 174.7779 *124 S 4.4742 7.9758 119.2545 56.8953 63.7369 176.8300 125 H 4.4344 9.2845 113.2839 57.3573 26.9955 175.0084 126 C 5.0509 9.2395 116.4209 57.0498 41.0537 175.3688 127 T 4.1267 8.0437 114.6399 64.5073 68.4860 174.7514 128 E 4.4992 7.7798 122.2670 54.7771 31.7179 175.1362 129 E 4.0633 8.8247 118.6278 57.1050 29.7411 177.1899 130 S 4.8719 8.6812 120.9979 57.6644 63.1481 174.1565 131 E 4.0550 8.7246 125.8922 56.4504 29.9363 175.0960 132 Q 5.0430 8.3687 120.3835 54.2140 32.5538 174.7932 133 C 4.4834 8.4018 112.2302 56.0174 42.8434 173.8056 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 N 8.28 5.01 0.00 3.11 3.10 0.00 0.00 6.15 7.23 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 2 F 9.15 3.95 0.00 2.93 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 3 F 8.91 4.39 0.00 3.15 3.06 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 4 Q 8.31 4.19 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.70 0.00 5 F 8.31 4.73 0.00 3.22 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 6 A 8.43 3.87 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 7 E 7.90 4.15 0.00 2.45 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 2.35 2.39 0.00 8 M 7.90 4.09 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 1.94 0.00 9 I 7.91 3.58 1.64 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.51 0.86 0.00 0.00 10 V 7.01 3.72 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 0.86 0.00 0.00 1.03 0.00 0.00 11 K 7.16 3.88 0.00 1.61 0.74 0.00 1.61 0.00 0.00 0.90 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.05 1.59 7.81 12 M 7.67 4.46 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.83 0.00 13 T 8.02 4.68 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 1.25 0.00 0.00 14 G 8.76 4.09 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 0.00 0.00 0.00 *16 K 8.59 4.15 0.00 1.70 1.84 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.49 7.81 17 E 7.86 4.61 0.00 1.82 1.59 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 2.17 2.18 0.00 18 A 8.35 3.89 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 19 V 8.20 2.45 2.18 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 1.04 0.00 0.00 0.96 0.00 0.00 20 H 8.16 3.57 0.00 3.22 3.34 0.00 5.90 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.63 3.34 0.00 3.32 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 22 Y 8.71 4.94 0.00 2.94 2.91 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 23 A 8.94 4.09 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 24 I 7.59 4.16 2.01 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 1.31 0.85 1.01 0.00 0.00 25 Y 8.58 5.05 0.00 3.19 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 26 G 7.48 3.29 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 0.00 27 C 10.11 4.69 0.00 2.49 2.61 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 28 Y 7.71 4.16 0.00 3.37 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 29 C 8.15 4.21 0.00 3.23 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 30 G 7.51 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 0.00 0.00 0.00 31 W 9.34 4.54 0.00 3.28 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 32 G 7.52 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 0.00 0.00 0.00 33 G 9.22 3.94 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 0.00 0.00 0.00 34 Q 6.35 4.36 0.00 1.87 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.85 0.00 0.00 0.00 0.00 0.00 2.25 2.11 0.00 35 G 7.86 4.14 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 0.00 36 K 8.30 4.70 0.00 1.72 1.68 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.37 7.81 37 P 0.00 4.43 0.00 2.18 1.98 0.00 3.62 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.83 0.00 38 Q 8.35 4.19 0.00 1.52 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 1.34 2.16 0.00 39 D 7.55 5.18 0.00 2.94 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 40 A 8.80 3.94 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 41 T 8.21 3.88 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 1.20 0.00 0.00 42 D 8.08 4.85 0.00 2.95 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 43 R 7.98 4.19 0.00 2.11 1.98 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 44 C 8.24 4.09 0.00 2.86 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 45 C 7.86 4.26 0.00 3.18 3.24 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 46 F 7.85 4.01 0.00 2.50 2.81 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 47 V 7.76 3.08 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 0.82 0.00 0.00 0.88 0.00 0.00 48 H 7.90 3.98 0.00 3.15 2.93 0.00 5.65 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 49 D 7.38 4.49 0.00 2.82 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 7.08 4.42 0.00 2.65 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 51 C 8.80 4.08 0.00 2.77 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 52 Y 8.34 4.12 0.00 2.81 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 53 G 8.26 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 54 T 7.83 3.84 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 1.16 0.00 0.00 55 V 7.09 3.55 1.98 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 0.69 0.00 0.00 0.85 0.00 0.00 56 N 8.03 4.28 0.00 2.74 2.66 0.00 0.00 7.19 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 *58 D 7.59 4.76 0.00 2.71 2.66 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 59 C 7.71 3.76 0.00 3.07 3.24 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 *61 N 8.29 4.89 0.00 2.78 2.84 0.00 0.00 7.59 8.03 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 *68 P 0.00 4.22 0.00 1.59 0.49 0.00 3.49 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 69 K 7.97 4.57 0.00 2.29 2.01 0.00 1.74 0.00 0.00 1.55 0.00 0.00 2.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.41 7.81 70 M 8.83 4.32 0.00 1.90 2.19 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 71 A 7.47 4.03 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 72 T 8.50 4.52 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 1.22 0.00 0.00 73 Y 7.83 4.60 0.00 3.26 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 74 S 10.22 5.04 0.00 3.93 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 75 Y 8.26 5.44 0.00 3.21 3.06 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 76 S 10.07 4.51 0.00 3.81 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 77 F 8.64 5.40 0.00 3.16 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 78 E 8.76 3.90 0.00 2.04 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 2.29 2.29 0.00 79 N 9.46 3.69 0.00 2.65 2.83 0.00 0.00 7.37 7.65 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 80 G 7.22 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 81 D 7.49 4.76 0.00 2.69 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 82 I 8.45 4.71 1.92 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 1.40 0.87 0.89 0.00 0.00 83 V 8.94 4.30 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 1.00 0.00 0.00 1.01 0.00 0.00 84 C 8.89 5.21 0.00 2.89 3.03 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 85 G 8.73 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 86 D 8.19 4.44 0.00 2.75 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 *88 N 8.49 5.15 0.00 2.75 2.92 0.00 0.00 7.20 8.00 0.00 0.00 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 7.86 4.62 0.00 2.84 2.71 0.00 0.00 7.18 6.66 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 90 L 8.64 3.92 0.00 1.71 1.72 0.91 0.82 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 91 C 7.91 4.28 0.00 2.94 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 92 L 7.90 4.10 0.00 1.89 1.89 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.33 3.95 0.00 1.82 1.80 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.47 7.81 94 T 8.07 3.96 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 1.14 0.00 0.00 95 V 7.54 3.55 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 0.66 0.00 0.00 0.89 0.00 0.00 96 C 8.91 3.20 0.00 2.55 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 97 E 7.96 3.64 0.00 2.03 1.87 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 2.34 2.43 0.00 98 C 7.79 4.31 0.00 3.11 2.93 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 99 D 7.79 3.69 0.00 2.75 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 0.00 100 R 7.97 3.88 0.00 1.84 2.00 0.00 3.16 0.00 0.00 3.39 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 101 A 8.48 3.95 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 0.00 102 A 8.21 3.82 1.12 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 0.00 0.00 103 A 8.40 4.21 1.46 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 0.00 0.00 104 I 7.34 4.18 2.10 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 1.43 0.66 0.95 0.00 0.00 105 C 8.55 3.97 0.00 2.99 3.10 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 0.00 106 L 7.91 3.87 0.00 1.63 1.59 0.19 0.24 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 0.00 107 G 7.71 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 0.00 0.00 0.00 108 Q 7.92 4.36 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.32 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 109 N 7.59 5.35 0.00 2.74 2.80 0.00 0.00 7.63 7.68 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 0.00 110 V 7.96 3.87 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 1.09 0.00 0.00 0.99 0.00 0.00 111 N 8.35 4.36 0.00 2.91 3.11 0.00 0.00 6.29 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 0.00 112 T 7.62 4.36 4.36 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 1.31 0.00 0.00 113 Y 7.70 4.10 0.00 2.93 3.05 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 0.00 114 D 8.01 4.80 0.00 2.42 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 0.00 0.00 0.00 115 K 7.67 4.32 0.00 1.86 1.78 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.48 7.81 116 N 7.94 4.45 0.00 2.58 2.84 0.00 0.00 6.89 7.46 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 0.00 117 Y 7.94 4.78 0.00 2.57 1.88 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 0.00 118 E 8.62 5.21 0.00 2.19 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 2.73 2.71 0.00 119 N 8.47 3.93 0.00 2.83 2.99 0.00 0.00 6.90 7.46 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 0.00 120 Y 7.70 4.57 0.00 2.99 3.34 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 0.00 121 A 8.22 4.30 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 0.00 122 I 7.73 3.77 1.90 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 1.48 0.88 1.02 0.00 0.00 *124 S 7.98 4.47 0.00 4.05 3.13 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 0.00 125 H 9.28 4.43 0.00 3.82 3.86 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 C 9.24 5.05 0.00 2.83 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 0.00 127 T 8.04 4.13 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 0.00 128 E 7.78 4.50 0.00 1.92 1.86 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 2.38 2.31 0.00 129 E 8.82 4.06 0.00 1.97 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 2.29 2.38 0.00 130 S 8.68 4.87 0.00 3.83 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 0.00 131 E 8.72 4.06 0.00 1.78 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 2.38 2.35 0.00 132 Q 8.37 5.04 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 133 C 8.40 4.48 0.00 2.85 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 * Residues marked with a * may have inaccurate shift predictions.