NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.3781 8.1832 118.6318 53.8963 39.6433 175.0037 2 L 4.1953 8.5683 127.3825 57.6097 41.9537 177.8268 3 L 4.1131 9.2895 120.3688 58.1250 41.8628 179.6149 4 Q 4.1274 9.3987 118.6928 58.9652 28.8070 178.0973 5 F 4.4617 8.4565 121.1630 61.5570 39.0584 176.5957 6 N 4.1178 8.4886 115.6976 56.1198 38.7168 176.9305 7 K 4.0925 7.5977 119.5839 59.7996 32.2886 178.4467 8 M 4.0548 8.2151 119.0756 58.8671 32.0027 178.9051 9 I 3.5377 8.0883 119.9079 64.1755 37.1849 178.4006 10 K 3.9700 7.8201 120.3417 59.1056 31.7898 178.4008 *12 E 4.3462 7.9790 116.9209 56.3503 31.5261 176.9509 13 E 4.0972 8.5661 118.0596 58.8306 29.6180 177.8020 14 T 4.2061 7.7234 106.2135 60.8245 70.1327 175.6655 15 G 3.8891 8.1992 109.8736 44.9544 0.0000 173.2128 16 K 4.3784 7.3571 117.6475 54.2264 35.0946 176.1368 17 N 4.4127 8.6673 118.8223 53.0702 38.4842 174.3097 18 A 3.9717 8.2557 123.3077 56.1229 18.8855 177.2516 19 I 4.0079 7.5177 116.3571 60.3997 37.8357 174.5485 20 P 4.5270 0.0000 0.0000 63.1033 32.5744 177.4282 21 F 4.4930 7.5445 116.9367 59.7134 38.6996 175.6581 22 Y 4.3314 8.8869 114.3876 57.3869 39.4099 176.5446 23 A 4.1607 7.8215 122.2379 54.0613 19.2569 177.7278 24 F 5.4065 8.2129 114.1493 55.6147 39.6517 172.6475 25 Y 4.8033 8.5079 123.1506 56.5911 42.9452 175.8239 26 G 3.6652 7.7782 114.6405 46.5981 0.0000 172.8164 27 C 4.6477 10.2080 115.2260 57.2818 41.8905 175.1295 28 Y 4.5719 8.3904 116.1358 59.4792 38.9779 175.7020 29 C 4.9038 8.3233 118.0630 56.7852 39.3763 173.5533 30 G 4.2206 8.2693 118.7794 44.7052 0.0000 172.9151 31 G 3.7948 8.8717 115.6303 46.1020 0.0000 172.2478 32 G 4.0376 8.4464 107.3995 46.5237 0.0000 175.0129 33 G 4.3249 7.7466 117.7545 43.3822 0.0000 174.7419 34 N 4.4308 8.5217 123.9649 52.3790 39.8345 174.1885 35 G 4.1016 7.5746 104.5986 44.3771 0.0000 175.8032 36 K 4.6164 8.3899 126.2312 53.0641 33.9120 172.9053 37 P 4.5484 0.0000 0.0000 62.8377 31.2246 176.6838 38 K 3.5171 8.7247 125.9214 59.0433 32.4080 175.6105 39 D 4.5603 7.5063 114.7940 52.4074 43.7793 176.2262 40 G 3.6419 8.6411 104.4456 48.8454 0.0000 175.6832 41 T 4.1118 8.0856 118.2420 66.5871 68.5997 175.9634 42 D 4.7009 9.4757 120.0228 57.4929 41.1197 178.7009 43 R 4.0570 8.1696 118.6845 59.4705 30.0504 177.9005 44 C 4.0152 8.2808 116.4101 60.5250 37.7384 175.8934 45 C 4.4308 8.2987 117.5819 60.0787 37.8738 175.5433 46 F 4.3764 8.2648 123.5165 60.6953 38.6898 177.1740 47 V 3.0461 8.2248 117.6366 66.2978 31.2279 177.4020 48 H 3.6199 8.2657 117.9894 59.1304 29.5304 176.9181 49 D 4.1536 8.2011 121.0312 57.5038 40.6331 177.7406 50 C 3.8829 7.8130 117.3028 60.5199 36.9877 175.0537 51 C 3.9802 8.4767 120.1592 60.3617 41.3999 175.1826 52 Y 4.1564 8.3138 118.0449 60.1749 37.2277 179.0910 53 G 3.4713 7.9948 107.0342 47.7597 0.0000 175.4203 54 R 4.0759 7.3771 120.2587 58.3464 31.2451 178.8466 55 L 4.3227 7.0437 114.8155 54.0243 40.1180 177.7922 56 V 3.6308 7.8354 116.1119 64.5582 32.2520 178.8076 *59 N 4.8595 7.9780 113.4902 52.7543 39.2307 175.3526 *61 C 4.2559 7.6810 114.8623 56.5929 40.8270 173.0116 *67 N 5.0098 8.4716 119.8320 53.1508 39.0514 175.0996 68 T 3.5335 7.4838 109.3003 64.0342 69.4100 175.7860 69 K 4.2986 7.9454 120.9730 57.6611 32.8812 177.8512 70 S 4.4759 7.9104 110.4191 58.1519 63.8960 172.8824 71 D 4.3521 7.8966 119.3681 54.2722 40.5972 175.6880 72 I 3.8929 8.2964 128.8388 61.2988 37.6580 175.1622 73 Y 5.0650 7.4522 122.4310 55.0650 40.7610 174.4356 74 S 5.0976 8.6059 114.0723 57.4168 66.6082 173.0473 75 Y 5.2240 8.3197 120.2410 56.2614 40.8287 173.1451 76 S 4.5440 9.0430 114.8669 56.4834 67.4225 172.6297 77 L 4.8400 8.4389 120.2972 53.1583 42.9309 174.6925 78 K 4.5865 8.5630 126.7710 55.6490 34.4271 175.7391 79 E 3.9347 9.9803 122.9750 57.4154 27.1758 175.7639 80 G 3.7980 8.4836 103.5224 45.8602 0.0000 173.4688 81 Y 4.7781 8.4186 118.0497 55.9016 40.1828 174.9304 82 I 4.8275 8.4128 125.0101 60.8128 38.6645 175.1871 83 T 4.7349 8.5157 120.7664 61.9612 71.4675 172.9331 84 C 5.0323 9.0654 123.7954 56.6050 41.6195 172.9621 85 G 4.2096 9.3374 109.9459 43.8051 0.0000 172.5685 86 K 4.2917 8.0257 118.8230 55.7935 32.5719 175.8867 *88 G 4.5342 8.2753 106.1359 45.7912 0.0000 173.0410 89 T 4.0487 8.0956 109.2617 61.2069 70.5889 174.4256 90 N 4.0956 8.7334 122.3943 57.3986 38.7337 177.2722 91 C 4.2261 8.2804 116.9654 60.3276 38.5544 175.9422 92 E 4.2469 8.0948 119.6855 59.4553 28.6264 179.2496 93 E 3.8061 8.3577 117.7628 59.5415 29.2360 179.0993 94 Q 3.8978 8.3884 118.7321 58.6772 29.1537 178.4868 95 I 3.6635 8.4874 121.5764 64.6513 37.1481 177.4357 96 C 2.7282 8.3051 120.1020 59.5660 37.3871 175.6633 97 E 3.6527 8.1291 119.8307 59.3030 29.0291 178.7012 98 C 4.2224 7.9587 116.9127 59.8763 41.4124 175.6555 99 D 3.3700 7.5442 119.9440 56.4146 40.5730 178.6885 100 R 3.7858 7.8831 119.5194 59.4079 30.0928 178.8119 101 V 3.5142 7.4734 117.3789 65.7295 31.4389 177.8613 102 A 3.5828 7.3563 119.4782 54.9344 18.0934 179.2551 103 A 3.8994 8.0537 119.3530 55.5557 18.0462 179.5867 104 E 3.9044 8.5333 117.7269 58.9957 29.5759 178.3423 105 C 4.1930 8.0834 119.3670 59.6399 43.5293 175.3256 106 F 4.4146 7.6310 118.3836 60.8296 38.5440 177.4037 107 R 4.0328 7.6304 117.0449 59.4373 29.8770 178.4713 108 R 4.1601 7.5738 116.6394 57.7213 30.6035 176.7543 109 N 5.1256 7.9412 116.2286 52.7728 39.4020 176.1083 110 L 4.3044 8.0380 120.2043 57.6638 42.4618 179.2121 111 D 4.7107 8.1648 113.3577 55.0016 39.0058 176.3962 112 T 4.5053 7.5944 114.2726 63.3173 69.9807 173.0065 113 Y 3.9768 8.8266 125.7811 57.5419 38.8885 174.6078 114 N 4.3820 9.9094 128.1933 52.1189 38.3652 175.0146 115 N 4.3717 8.7042 124.9468 56.2302 38.8635 177.6926 116 G 3.7762 7.9390 104.9377 47.5147 0.0000 173.5737 117 Y 4.4076 7.7927 117.6247 58.6425 38.2953 175.2478 118 M 4.1139 7.4468 121.1689 56.2952 32.7685 175.9945 119 F 3.9322 9.1398 122.9744 58.2687 37.3988 174.6146 120 Y 3.8663 7.3777 120.5961 57.5579 38.8524 176.4666 121 R 3.8445 8.1114 126.5158 56.6914 30.6050 177.5289 122 D 4.4481 8.5295 121.7821 56.8365 41.3159 178.3508 *124 S 4.3777 8.0100 114.2402 58.5624 64.4877 175.0861 125 K 4.1299 7.4886 116.0385 57.9345 31.7104 176.2914 126 C 5.5045 7.5323 115.9554 56.8487 40.5231 175.2053 127 T 4.2548 7.6647 118.4122 62.3104 67.0231 173.9897 128 E 4.6184 7.7385 121.8052 55.2166 31.8691 175.7719 129 T 3.9746 8.5147 116.9081 63.8048 68.2320 174.4055 130 S 4.4356 8.6719 122.6769 58.6777 63.7400 174.4084 131 E 4.2163 9.0225 124.3971 56.2865 30.6879 175.0239 132 E 4.7793 8.3878 122.3360 54.0618 31.4800 176.3291 133 C 4.5408 9.0097 123.0062 57.4798 41.2749 173.4765 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 8.18 5.38 0.00 2.86 2.90 0.00 0.00 7.06 5.78 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 2 L 8.57 4.20 0.00 1.93 1.85 1.07 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.29 4.11 0.00 2.00 1.77 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 9.40 4.13 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.76 0.00 0.00 0.00 0.00 0.00 2.61 2.40 0.00 5 F 8.46 4.46 0.00 3.31 3.27 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 6 N 8.49 4.12 0.00 2.91 2.86 0.00 0.00 6.99 7.47 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 7 K 7.60 4.09 0.00 1.99 2.03 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.53 7.81 8 M 8.22 4.05 0.00 2.19 2.40 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.49 0.00 9 I 8.09 3.54 1.76 0.00 0.00 -0.58 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 0.38 0.41 0.00 0.00 10 K 7.82 3.97 0.00 1.86 1.96 0.00 1.45 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.49 7.81 *12 E 7.98 4.35 0.00 2.18 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 0.00 2.23 2.35 0.00 13 E 8.57 4.10 0.00 2.01 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 0.00 2.46 2.47 0.00 14 T 7.72 4.21 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 15 G 8.20 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 16 K 7.36 4.38 0.00 0.79 1.07 0.00 1.12 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 1.32 7.81 17 N 8.67 4.41 0.00 3.06 2.86 0.00 0.00 6.93 7.35 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 18 A 8.26 3.97 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 19 I 7.52 4.01 1.86 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 1.39 0.30 0.86 0.00 0.00 20 P 0.00 4.53 0.00 2.11 2.42 0.00 3.04 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.83 0.00 21 F 7.54 4.49 0.00 3.10 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 22 Y 8.89 4.33 0.00 2.50 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 23 A 7.82 4.16 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.21 5.41 0.00 2.91 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 25 Y 8.51 4.80 0.00 2.93 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 26 G 7.78 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 27 C 10.21 4.65 0.00 2.48 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 28 Y 8.39 4.57 0.00 3.28 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.32 4.90 0.00 3.64 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 30 G 8.27 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 0.00 0.00 0.00 0.00 31 G 8.87 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 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 33 G 7.75 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 0.00 0.00 0.00 0.00 34 N 8.52 4.43 0.00 2.91 2.94 0.00 0.00 6.03 7.00 0.00 0.00 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 7.57 4.10 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 0.00 0.00 0.00 36 K 8.39 4.62 0.00 1.64 1.60 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.37 7.81 37 P 0.00 4.55 0.00 2.26 2.19 0.00 3.62 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 1.98 1.96 0.00 38 K 8.72 3.52 0.00 1.33 1.28 0.00 1.13 0.00 0.00 1.29 0.00 0.00 2.56 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.30 0.21 7.81 39 D 7.51 4.56 0.00 2.96 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 40 G 8.64 3.64 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 41 T 8.09 4.11 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 42 D 9.48 4.70 0.00 3.19 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 43 R 8.17 4.06 0.00 2.21 2.07 0.00 3.25 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 44 C 8.28 4.02 0.00 3.30 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 45 C 8.30 4.43 0.00 3.45 3.46 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 46 F 8.26 4.38 0.00 1.91 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 47 V 8.22 3.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.04 0.00 0.00 48 H 8.27 3.62 0.00 3.09 3.35 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 49 D 8.20 4.15 0.00 2.64 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 50 C 7.81 3.88 0.00 2.67 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 51 C 8.48 3.98 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.16 0.00 2.98 2.90 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 53 G 7.99 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.38 4.08 0.00 1.73 2.00 0.00 3.30 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 55 L 7.04 4.32 0.00 1.74 1.57 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.84 3.63 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.03 0.00 0.00 *59 N 7.98 4.86 0.00 2.83 2.97 0.00 0.00 6.39 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 *61 C 7.68 4.26 0.00 2.92 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 *67 N 8.47 5.01 0.00 2.80 2.74 0.00 0.00 7.39 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 68 T 7.48 3.53 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 0.99 0.00 0.00 69 K 7.95 4.30 0.00 1.86 1.93 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.64 1.56 7.81 70 S 7.91 4.48 0.00 3.81 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 71 D 7.90 4.35 0.00 2.77 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 72 I 8.30 3.89 1.85 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 1.42 0.61 0.84 0.00 0.00 73 Y 7.45 5.07 0.00 3.05 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.61 5.10 0.00 3.83 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 5.22 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 76 S 9.04 4.54 0.00 3.83 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 L 8.44 4.84 0.00 1.61 1.61 1.00 0.50 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 78 K 8.56 4.59 0.00 1.87 1.66 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.39 7.81 79 E 9.98 3.93 0.00 2.33 2.29 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 2.32 2.35 0.00 80 G 8.48 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 81 Y 8.42 4.78 0.00 3.15 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 4.83 1.95 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 1.65 0.63 1.04 0.00 0.00 83 T 8.52 4.73 4.31 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 1.25 0.00 0.00 84 C 9.07 5.03 0.00 2.84 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 85 G 9.34 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 0.00 0.00 0.00 0.00 86 K 8.03 4.29 0.00 1.79 1.82 0.00 2.00 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.37 7.81 *88 G 8.28 4.53 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 0.00 89 T 8.10 4.05 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 90 N 8.73 4.10 0.00 2.75 2.87 0.00 0.00 7.11 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 91 C 8.28 4.23 0.00 2.98 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 92 E 8.09 4.25 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 93 E 8.36 3.81 0.00 2.13 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 0.00 2.56 2.36 0.00 94 Q 8.39 3.90 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 95 I 8.49 3.66 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.91 0.84 0.00 0.00 96 C 8.31 2.73 0.00 1.97 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 97 E 8.13 3.65 0.00 2.11 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 2.36 2.41 0.00 98 C 7.96 4.22 0.00 3.30 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 99 D 7.54 3.37 0.00 2.61 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.88 3.79 0.00 1.92 1.82 0.00 3.37 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 101 V 7.47 3.51 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 0.92 0.00 0.00 0.97 0.00 0.00 102 A 7.36 3.58 1.06 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 0.00 103 A 8.05 3.90 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.53 3.90 0.00 2.27 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 2.33 2.33 0.00 105 C 8.08 4.19 0.00 3.01 2.78 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 0.00 106 F 7.63 4.41 0.00 2.76 2.72 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 0.00 107 R 7.63 4.03 0.00 1.86 2.12 0.00 3.28 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 108 R 7.57 4.16 0.00 2.12 2.00 0.00 3.35 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 109 N 7.94 5.13 0.00 2.86 2.91 0.00 0.00 7.03 8.02 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 0.00 110 L 8.04 4.30 0.00 1.72 1.70 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.16 4.71 0.00 2.78 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 0.00 112 T 7.59 4.51 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 1.25 0.00 0.00 113 Y 8.83 3.98 0.00 3.04 2.90 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 0.00 114 N 9.91 4.38 0.00 2.11 2.00 0.00 0.00 6.77 6.59 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 0.00 115 N 8.70 4.37 0.00 2.94 2.92 0.00 0.00 6.94 7.62 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 0.00 116 G 7.94 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 0.00 0.00 0.00 117 Y 7.79 4.41 0.00 2.24 1.62 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 0.00 118 M 7.45 4.11 0.00 1.69 1.84 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.03 0.00 119 F 9.14 3.93 0.00 3.08 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 0.00 120 Y 7.38 3.87 0.00 2.82 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 0.00 121 R 8.11 3.84 0.00 1.57 1.73 0.00 3.04 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 122 D 8.53 4.45 0.00 2.77 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 *124 S 8.01 4.38 0.00 3.77 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 0.00 125 K 7.49 4.13 0.00 1.27 1.61 0.00 0.65 0.00 0.00 0.61 0.00 0.00 2.31 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.07 1.05 7.81 126 C 7.53 5.50 0.00 3.23 3.18 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 0.00 127 T 7.66 4.25 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 0.00 128 E 7.74 4.62 0.00 2.04 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 2.17 2.17 0.00 129 T 8.51 3.97 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 1.23 0.00 0.00 130 S 8.67 4.44 0.00 3.85 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 0.00 131 E 9.02 4.22 0.00 1.86 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 2.15 2.12 0.00 132 E 8.39 4.78 0.00 2.02 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 2.23 2.43 0.00 133 C 9.01 4.54 0.00 3.01 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.