NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 4.0105 8.3549 109.7415 45.7826 0.0000 175.9399 5 S 4.3621 8.8654 118.1417 60.1234 63.3931 174.5285 6 R 3.9749 8.3152 120.5331 59.3967 30.9655 177.5533 7 R 3.6889 8.0004 116.8811 58.7916 29.9810 176.3151 8 Y 4.4966 8.2474 112.8212 57.4109 38.2479 174.8611 9 D 4.5540 7.6852 120.8832 53.9157 41.1971 176.5534 10 S 4.1541 8.7413 123.3322 59.4803 64.0625 174.1775 11 R 3.8088 8.5228 119.7844 57.2850 26.9108 177.1643 12 T 4.1483 7.7769 106.5075 63.4534 70.0660 175.2997 13 T 4.6151 7.2824 110.8980 60.7345 68.6023 172.8219 14 I 4.6045 7.0694 114.6510 59.5059 41.4602 175.1836 15 F 4.7610 8.5097 119.7692 56.9270 40.0009 175.8544 16 S 4.6874 8.4251 117.9276 55.5547 64.2980 173.5850 17 P 4.4768 0.0000 0.0000 64.9363 31.0332 177.2425 18 E 4.3043 8.1036 116.1404 55.6104 29.6767 175.8214 19 G 3.6629 8.4132 107.0932 47.0096 0.0000 174.0578 20 R 4.6105 7.9302 117.0066 53.8845 33.2320 175.9644 21 L 4.5970 7.9741 120.6814 54.1751 41.5912 177.2281 22 Y 3.5030 7.3966 117.0863 61.1928 37.8041 178.4198 23 Q 4.1029 8.0900 118.0415 59.3869 28.9941 179.7155 24 V 3.5626 7.6047 118.3348 65.9462 31.6183 177.5950 25 E 3.9359 7.9793 118.1836 59.9472 29.5129 179.1591 26 Y 4.4258 8.1357 116.6583 60.9807 37.7706 178.6694 27 A 4.0637 8.4423 122.3391 55.1773 18.5516 179.6325 28 L 3.9152 8.2452 117.8055 57.9438 41.4384 179.3580 29 E 3.9752 8.2012 118.5465 59.2205 29.9198 178.6076 30 S 4.3227 7.9687 112.9998 61.3066 62.5122 176.0599 31 I 3.7168 7.9532 123.0257 64.3373 36.6417 178.3393 32 S 4.3890 7.9434 113.8440 60.9037 62.6289 174.7072 33 H 4.6826 7.6917 116.9713 55.4347 29.1507 174.8274 34 A 4.3831 8.1822 123.5306 50.7528 19.4284 177.5684 35 G 4.0304 8.5375 106.7140 46.3156 0.0000 173.5768 36 T 4.2843 8.6804 120.3844 63.5553 69.8618 173.0841 37 A 5.1291 8.4985 126.1135 50.2417 22.1346 175.2632 38 I 4.5762 9.5641 123.7562 59.2829 41.0817 174.9023 39 G 4.4427 8.7341 112.3162 44.5130 0.0000 171.8818 40 I 4.7124 8.8192 126.2368 59.6077 40.7308 174.0517 41 M 4.8415 8.8297 126.5228 53.9514 33.7399 175.1338 42 A 4.7493 8.8911 130.1507 50.2631 21.7613 176.3381 43 S 4.3165 8.6406 112.3574 60.8679 63.2813 174.8911 44 D 4.8239 8.7702 118.2536 50.7954 39.6449 176.0476 45 G 4.0392 6.8508 108.3770 46.3154 0.0000 171.3033 46 I 5.1196 7.6525 118.5818 59.4416 41.2693 175.5053 47 V 4.5320 9.0268 124.0134 61.1202 34.8225 174.1914 48 L 5.3394 8.5981 125.9688 52.9538 44.7740 175.8093 49 A 4.7649 9.0165 124.2488 50.5149 22.6680 174.8433 50 A 5.0084 8.5538 122.8734 50.1135 22.6330 174.5857 51 E 4.4797 9.1974 121.3024 54.3675 31.5278 175.6625 52 R 4.2601 8.5756 126.6635 55.9396 30.4242 176.2008 53 K 3.9972 8.5681 124.8885 56.7019 33.0150 174.4215 54 V 3.1120 8.5766 127.0345 63.3409 30.9243 171.6841 55 T 4.7291 8.0770 114.6134 60.4562 71.6972 172.1402 56 S 4.6247 8.0019 114.7555 57.1074 65.6659 174.8500 57 T 3.9676 8.4563 119.3688 66.6132 68.1754 176.2613 58 L 4.1341 7.6548 119.2986 56.2429 41.9885 177.2458 59 L 3.8420 7.1596 120.3697 54.9366 40.7932 176.2035 60 E 4.1681 8.6676 127.1556 55.5774 29.0340 176.4523 61 Q 4.3070 8.5247 128.9524 58.6930 29.6628 177.7929 62 D 4.3646 8.1931 116.9254 57.1857 40.8809 177.1125 63 T 4.3252 7.1936 111.6970 63.3659 69.0608 174.6089 63A S 4.5396 7.4816 116.7133 57.6707 63.4532 173.9373 64 T 4.2703 7.9229 122.0507 63.1162 71.1619 173.1353 65 E 4.8557 8.6411 122.2899 55.6053 31.2491 175.9767 66 K 4.7554 7.7724 116.1212 56.1962 36.9309 175.5029 67 L 5.2129 7.7817 119.3363 53.0926 43.6967 175.7118 68 Y 4.7210 8.8189 121.5556 55.8269 41.7295 175.0056 69 K 4.5615 8.7951 124.5294 55.8310 33.3096 176.0385 70 L 4.4826 8.5225 125.8070 55.8425 43.1346 175.4286 71 N 4.9398 7.5242 113.5043 52.6207 41.7366 172.6328 72 D 4.6312 8.6924 115.8096 55.6571 41.5525 177.0767 73 K 4.7156 7.9845 116.3984 55.9075 34.4467 175.5129 74 I 5.2929 7.6547 120.5097 59.6612 41.5207 174.0438 75 A 5.0948 8.9190 125.7465 50.9695 23.3912 175.2389 76 V 4.9509 8.8439 110.8836 59.6416 36.6151 174.6486 77 A 5.3587 8.8044 124.2055 50.2814 21.6113 175.5769 78 V 4.8919 8.7815 121.9426 61.1356 34.3620 175.2877 79 A 4.3283 9.0966 127.7664 52.4858 21.5886 173.7372 80 G 3.7192 8.7546 112.4003 44.8929 0.0000 172.9767 81 L 4.1131 8.6845 125.6354 54.8552 41.9725 177.9777 82 T 3.8904 8.7801 121.5371 66.5598 68.2931 176.3313 83 A 4.0161 7.9893 122.1063 55.3984 18.3477 179.2228 84 D 4.4473 8.1536 116.6384 57.4591 40.8487 178.7827 85 A 4.0834 8.0777 121.2751 55.2704 18.3848 179.4436 86 E 3.5250 8.2501 117.1008 59.4353 29.1947 179.6278 87 I 3.7083 7.5485 119.7535 64.4990 37.2176 178.4674 88 L 3.8196 7.5467 119.5958 57.6783 41.3600 179.3286 89 I 3.4526 8.3628 120.6092 64.6710 37.1821 177.8090 90 N 4.2530 8.2365 117.7144 57.0222 38.6266 176.9313 91 T 3.9666 7.7337 110.7033 64.4666 68.9294 176.6621 92 A 3.9781 8.0681 123.9262 55.0098 18.2660 179.7878 93 R 3.8926 8.2235 116.8068 59.4305 30.0428 179.3973 94 I 3.7267 7.7220 119.4171 64.5526 37.1162 177.7855 95 H 4.2033 8.5822 119.2112 59.4355 29.6690 177.0720 96 A 3.9719 8.0656 122.3809 55.3767 18.1580 179.6954 97 Q 4.0591 8.0414 116.2849 58.9523 28.6736 178.6377 98 N 4.3649 8.5741 118.0853 56.2705 38.4931 176.7215 99 Y 3.9498 8.2306 120.9628 60.5956 38.9454 177.8518 100 L 4.3105 8.1055 122.4909 57.6533 42.0051 178.8262 101 K 3.9587 8.1896 118.4792 59.7918 32.1424 178.6287 102 T 3.7652 7.7970 115.2239 66.0397 68.4996 175.6516 103 Y 4.5337 7.6163 115.1939 56.4663 39.1304 175.3408 104 N 4.3913 8.7214 116.6410 53.6960 36.6246 173.9514 105 E 4.8258 7.8772 114.7970 54.6575 33.8864 174.9991 106 D 4.5052 8.6592 122.3909 54.2334 41.5500 176.2073 107 I 2.8424 8.0988 122.9209 59.6453 38.5870 174.0762 108 P 4.1312 0.0000 0.0000 62.4450 32.1355 176.9802 109 V 3.4309 8.3945 122.5327 66.4360 31.2914 178.1401 110 E 3.7883 7.9711 118.0730 59.2069 29.4859 178.5367 111 I 3.6215 7.3579 119.7756 64.2282 37.2288 178.1512 112 L 3.8414 7.5497 120.5791 58.0892 42.0293 179.0165 113 V 2.9661 7.3766 118.1580 65.6769 31.2770 177.9875 114 R 3.8299 8.2556 118.9630 59.1874 29.8908 178.4622 115 R 3.8399 7.7759 118.0241 59.5813 30.0601 178.4661 116 L 3.9988 7.7074 118.2134 58.0434 41.4859 179.8385 117 S 4.2519 8.2108 115.0861 61.5695 62.7394 176.4231 118 D 4.3848 8.3136 121.9112 57.2092 40.2692 178.8793 119 I 3.8249 7.5851 119.7049 64.3161 36.9256 178.2401 120 K 4.2356 7.8624 119.0862 59.6031 31.8617 178.9204 121 Q 4.1485 8.5099 120.1963 59.2405 28.7711 178.7407 122 G 3.6840 8.2250 106.4977 48.2112 0.0000 174.9523 123 Y 3.9913 7.8686 115.8140 59.6325 37.8907 177.7378 124 T 4.3081 7.9056 116.2109 64.0519 69.3383 174.9594 125 Q 4.4483 7.7420 119.8216 56.0518 30.6850 174.4146 126 H 4.6006 7.6838 110.0997 55.7990 30.5304 173.5428 127 G 3.8434 9.0256 108.7151 44.3499 0.0000 175.0054 128 G 4.2851 7.9085 105.8742 46.3025 0.0000 173.1618 129 L 4.7178 6.9798 118.2055 52.1314 43.8558 176.8704 130 R 4.1374 8.1574 116.9811 55.5379 30.1343 174.6220 131 P 4.5675 0.0000 0.0000 61.5268 32.5048 175.8616 132 F 4.3048 8.5262 118.6851 57.5205 39.9635 177.4094 133 G 4.0221 8.9933 115.5347 44.9056 0.0000 172.6656 134 V 4.9052 7.2534 118.4768 61.5327 35.8073 174.8774 135 S 4.5908 8.4645 120.9983 56.6669 66.6164 173.0752 136 F 5.4008 8.6754 121.6059 55.6774 42.2727 174.5978 137 I 4.5134 8.3649 122.2160 59.8603 39.7627 174.0244 138 Y 5.0793 8.8710 124.6926 56.2894 39.8648 174.9505 139 A 4.7427 9.1293 126.2544 50.2919 21.5760 175.2324 140 G 4.9486 8.5300 108.0477 45.6540 0.0000 170.9499 141 Y 4.9761 8.4069 120.3345 55.7605 41.7538 173.8176 142 D 4.5595 7.3802 123.9722 51.5152 42.5938 174.8756 143 D 4.3439 8.3549 117.8148 54.3977 39.9102 176.3791 144 R 4.0687 8.2697 126.1357 56.5287 29.9798 175.4874 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 4 G 8.35 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 5 S 8.87 4.36 0.00 4.04 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 6 R 8.32 3.97 0.00 1.84 1.94 0.00 3.16 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 7 R 8.00 3.69 0.00 1.54 1.21 0.00 2.32 0.00 0.00 2.92 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.34 0.00 8 Y 8.25 4.50 0.00 2.91 2.96 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 9 D 7.69 4.55 0.00 2.67 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 10 S 8.74 4.15 0.00 3.91 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 11 R 8.52 3.81 0.00 2.02 1.96 0.00 3.12 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 12 T 7.78 4.15 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 13 T 7.28 4.62 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 1.21 0.00 0.00 14 I 7.07 4.60 1.96 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 1.69 1.19 0.93 0.00 0.00 15 F 8.51 4.76 0.00 3.10 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 16 S 8.43 4.69 0.00 3.66 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 P 0.00 4.48 0.00 2.09 2.18 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 18 E 8.10 4.30 0.00 1.87 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 0.00 2.24 2.34 0.00 19 G 8.41 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 20 R 7.93 4.61 0.00 1.62 1.78 0.00 3.05 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 21 L 7.97 4.60 0.00 1.57 1.49 0.80 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.40 3.50 0.00 2.91 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 23 Q 8.09 4.10 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 24 V 7.60 3.56 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 1.14 0.00 0.00 0.90 0.00 0.00 25 E 7.98 3.94 0.00 1.93 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 2.31 2.36 0.00 26 Y 8.14 4.43 0.00 3.10 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 27 A 8.44 4.06 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 28 L 8.25 3.92 0.00 1.92 1.74 0.92 1.09 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 29 E 8.20 3.98 0.00 2.04 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 2.43 0.00 30 S 7.97 4.32 0.00 4.01 4.08 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 31 I 7.95 3.72 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.66 0.93 0.00 0.00 32 S 7.94 4.39 0.00 3.94 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 33 H 7.69 4.68 0.00 3.21 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.18 4.38 1.23 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 0.00 0.00 35 G 8.54 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 0.00 0.00 0.00 36 T 8.68 4.28 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 37 A 8.50 5.13 1.18 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 0.00 0.00 38 I 9.56 4.58 1.88 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 1.17 0.78 0.92 0.00 0.00 39 G 8.73 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 40 I 8.82 4.71 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.67 0.92 0.00 0.00 41 M 8.83 4.84 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 42 A 8.89 4.75 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 43 S 8.64 4.32 0.00 4.00 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 44 D 8.77 4.82 0.00 2.77 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 45 G 6.85 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 0.00 0.00 0.00 46 I 7.65 5.12 1.90 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 1.27 0.76 0.96 0.00 0.00 47 V 9.03 4.53 2.09 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 1.06 0.00 0.00 0.94 0.00 0.00 48 L 8.60 5.34 0.00 1.53 1.53 0.94 0.75 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 49 A 9.02 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 50 A 8.55 5.01 1.18 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 0.00 0.00 51 E 9.20 4.48 0.00 2.01 1.83 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 2.23 2.27 0.00 52 R 8.58 4.26 0.00 1.84 1.88 0.00 3.25 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 53 K 8.57 4.00 0.00 1.72 1.71 0.00 1.94 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.43 7.81 54 V 8.58 3.11 2.09 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 0.84 0.00 0.00 0.93 0.00 0.00 55 T 8.08 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 56 S 8.00 4.62 0.00 3.82 3.69 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 57 T 8.46 3.97 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 58 L 7.65 4.13 0.00 1.66 1.72 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.16 3.84 0.00 1.63 1.72 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.67 4.17 0.00 2.08 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 2.37 2.35 0.00 61 Q 8.52 4.31 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.41 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 62 D 8.19 4.36 0.00 2.68 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 63 T 7.19 4.33 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 63A S 7.48 4.54 0.00 4.02 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 64 T 7.92 4.27 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 0.56 0.00 0.00 65 E 8.64 4.86 0.00 2.06 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 2.15 2.30 0.00 66 K 7.77 4.76 0.00 1.67 1.84 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.47 7.81 67 L 7.78 5.21 0.00 1.37 1.49 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.82 4.72 0.00 2.82 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 69 K 8.80 4.56 0.00 1.73 1.74 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 70 L 8.52 4.48 0.00 1.81 1.67 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.52 4.94 0.00 2.61 2.83 0.00 0.00 6.96 8.47 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 72 D 8.69 4.63 0.00 2.73 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 73 K 7.98 4.72 0.00 1.71 2.04 0.00 1.69 0.00 0.00 2.17 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 74 I 7.65 5.29 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.83 0.96 0.00 0.00 75 A 8.92 5.09 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 76 V 8.84 4.95 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 0.28 0.00 0.00 0.81 0.00 0.00 77 A 8.80 5.36 1.23 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 0.00 0.00 78 V 8.78 4.89 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 0.72 0.00 0.00 1.24 0.00 0.00 79 A 9.10 4.33 1.17 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 80 G 8.75 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 81 L 8.68 4.11 0.00 1.66 1.64 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.78 3.89 4.29 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 1.35 0.00 0.00 83 A 7.99 4.02 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 84 D 8.15 4.45 0.00 2.95 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 85 A 8.08 4.08 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 86 E 8.25 3.52 0.00 2.15 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 0.00 2.12 2.55 0.00 87 I 7.55 3.71 2.19 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 1.81 1.17 1.05 0.00 0.00 88 L 7.55 3.82 0.00 1.83 1.64 0.61 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.36 3.45 1.81 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.35 0.78 0.00 0.00 90 N 8.24 4.25 0.00 2.82 2.94 0.00 0.00 7.08 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 91 T 7.73 3.97 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 1.24 0.00 0.00 92 A 8.07 3.98 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 93 R 8.22 3.89 0.00 2.02 2.00 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.83 0.00 94 I 7.72 3.73 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.70 0.94 0.00 0.00 95 H 8.58 4.20 0.00 3.30 3.50 0.00 5.79 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 96 A 8.07 3.97 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 97 Q 8.04 4.06 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 98 N 8.57 4.36 0.00 2.99 2.91 0.00 0.00 6.56 8.34 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 99 Y 8.23 3.95 0.00 3.24 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 0.00 100 L 8.11 4.31 0.00 2.00 1.89 1.03 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.19 3.96 0.00 1.86 1.91 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.46 7.81 102 T 7.80 3.77 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 0.11 0.00 0.00 103 Y 7.62 4.53 0.00 2.56 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 0.00 104 N 8.72 4.39 0.00 2.84 2.93 0.00 0.00 6.73 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 0.00 105 E 7.88 4.83 0.00 2.14 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 2.35 2.56 0.00 106 D 8.66 4.51 0.00 2.69 2.63 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 0.00 107 I 8.10 2.84 1.64 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.36 0.75 0.00 0.00 108 P 0.00 4.13 0.00 1.98 1.79 0.00 2.74 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 109 V 8.39 3.43 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 0.92 0.00 0.00 0.88 0.00 0.00 110 E 7.97 3.79 0.00 1.97 1.82 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 2.29 2.30 0.00 111 I 7.36 3.62 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.72 0.84 0.00 0.00 112 L 7.55 3.84 0.00 1.52 1.65 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.38 2.97 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 0.46 0.00 0.00 -0.12 0.00 0.00 114 R 8.26 3.83 0.00 1.88 1.86 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 115 R 7.78 3.84 0.00 1.99 2.10 0.00 3.17 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 1.28 1.65 0.00 116 L 7.71 4.00 0.00 1.90 1.78 0.81 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.21 4.25 0.00 4.03 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 0.00 118 D 8.31 4.38 0.00 2.93 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 0.00 119 I 7.59 3.82 2.02 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 1.58 0.66 0.94 0.00 0.00 120 K 7.86 4.24 0.00 2.00 1.94 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.42 1.55 7.81 121 Q 8.51 4.15 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 122 G 8.22 3.68 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 0.00 123 Y 7.87 3.99 0.00 3.20 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 0.00 124 T 7.91 4.31 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 1.14 0.00 0.00 125 Q 7.74 4.45 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 126 H 7.68 4.60 0.00 3.17 3.20 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 9.03 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 G 7.91 4.29 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 0.00 129 L 6.98 4.72 0.00 1.51 1.64 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.16 4.14 0.00 1.90 1.92 0.00 2.99 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 131 P 0.00 4.57 0.00 2.09 2.10 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 132 F 8.53 4.30 0.00 2.86 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 0.00 133 G 8.99 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 0.00 0.00 0.00 134 V 7.25 4.91 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 -0.25 0.00 0.00 0.86 0.00 0.00 135 S 8.46 4.59 0.00 3.66 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.68 5.40 0.00 2.41 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 0.00 0.00 0.00 0.00 137 I 8.36 4.51 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 0.95 0.00 0.00 138 Y 8.87 5.08 0.00 2.79 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 0.00 139 A 9.13 4.74 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 0.00 140 G 8.53 4.95 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 0.00 0.00 0.00 141 Y 8.41 4.98 0.00 2.97 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 0.00 142 D 7.38 4.56 0.00 2.56 2.40 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 0.00 143 D 8.35 4.34 0.00 2.80 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 0.00 144 R 8.27 4.07 0.00 1.66 1.83 0.00 3.22 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00