NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.5387 8.4293 116.1958 55.0983 30.3228 173.2398 2 C 4.0865 7.6214 113.9850 56.8032 30.2013 172.3867 3 D 4.5898 8.3398 118.7350 54.7690 40.2936 175.2435 4 L 4.0734 8.0272 120.2591 57.4740 42.1691 175.7611 5 P 4.5410 0.0000 0.0000 62.3338 32.2794 175.4294 6 C 4.2857 8.4694 113.3517 57.8957 30.5724 174.9096 7 G 3.9798 8.3586 107.7590 45.4709 0.0000 172.8478 8 V 4.3933 7.2875 118.6822 60.9404 33.3617 174.3115 9 Y 4.6110 8.1414 123.1527 56.8945 42.1303 174.2966 10 D 3.6614 7.9206 118.6216 51.7309 43.6036 174.5854 11 P 4.0873 0.0000 0.0000 64.6978 31.1608 178.0842 12 A 4.0149 8.2633 120.2562 55.0684 17.7898 179.6490 13 Q 3.7954 8.0055 116.4490 59.0522 28.7090 178.8611 14 A 4.0607 7.7853 121.2309 55.0498 18.4675 179.4191 15 R 3.8243 8.0719 117.2090 59.7780 30.3163 178.7617 16 I 3.7419 8.0940 119.9208 64.5099 37.0573 178.3594 17 E 4.0142 8.0268 118.8068 59.3220 29.3206 179.2465 18 A 4.0925 8.3156 120.9012 55.0147 18.2824 179.5722 19 E 3.9845 8.5697 117.9191 59.5310 29.5032 179.6492 20 S 4.1095 7.9262 114.9440 61.3619 62.8912 176.5370 21 V 3.5392 7.7714 121.0211 66.0935 31.1476 177.9938 22 K 4.0789 8.0440 118.7523 59.5441 32.0755 178.4579 23 A 4.0095 8.3033 121.3170 55.3350 18.1950 179.7498 24 I 3.7184 8.3317 118.5877 64.6674 37.3209 178.6485 25 Q 4.0203 8.1672 118.9037 59.0445 28.6332 178.8024 26 E 4.0346 8.5763 119.9657 59.4036 29.4891 179.5641 27 K 4.2090 8.1497 118.5102 59.4843 31.9272 179.3209 28 M 4.4109 8.1934 118.2508 58.1531 31.8773 178.1511 29 A 4.2105 7.6747 118.8545 53.8190 18.6998 178.3308 30 A 4.7655 7.5679 117.2507 51.0252 19.5442 176.7202 31 N 4.4678 7.6795 117.0519 53.2732 39.9028 172.9471 32 D 4.8282 8.5942 124.9925 53.2030 40.0926 176.6809 33 D 4.4467 8.4334 120.2945 54.4718 42.6246 176.2801 34 L 3.9338 8.6235 128.5308 58.9500 42.1843 178.9389 35 H 4.0918 8.3146 115.4079 58.8782 28.5806 177.4722 36 F 4.1742 8.5858 122.4111 61.3850 39.2715 177.2625 37 Q 3.8149 8.2488 117.7404 58.7881 28.3567 178.9382 38 I 3.6435 7.8880 120.9575 64.4521 37.1621 178.7081 39 R 3.8183 8.0377 118.7303 59.0272 29.8105 178.8925 40 A 3.7334 7.7898 120.8910 55.3956 18.2744 179.8566 41 T 3.7138 7.7115 114.0309 66.6570 68.5363 176.9577 42 V 3.5460 7.8767 120.3250 66.3009 31.4753 178.2121 43 I 3.9147 8.0805 119.8146 64.1273 36.8388 178.2824 44 K 3.8602 8.3963 121.0313 59.3224 31.9592 178.2540 45 E 3.8959 8.2692 119.5875 59.5507 29.5634 178.9260 46 Q 3.9792 7.8411 117.3739 59.1702 28.8194 179.1407 47 R 3.9624 8.3041 119.0184 59.0373 30.0289 178.9904 48 A 4.0206 8.3664 121.1236 55.0220 18.3508 179.2724 49 E 3.8753 8.2172 117.9111 59.4440 29.6311 179.1036 50 L 3.9461 7.9705 118.8158 57.6485 41.6467 179.3101 51 A 4.0543 8.1427 120.7642 55.1502 18.2392 179.8401 52 K 3.9412 8.2798 117.0937 59.7336 32.0659 179.0516 53 H 4.1406 8.3081 118.5316 59.6952 29.9369 177.0484 54 H 4.2436 8.3862 118.1822 58.9195 28.4653 177.8703 55 L 4.1199 8.0703 120.8571 57.8356 41.4722 179.1626 56 D 4.5463 8.5434 119.3389 57.4653 40.7649 179.0842 57 V 3.7525 8.0780 118.7846 65.8732 31.4954 178.0593 58 L 3.9366 7.9882 118.4815 57.5360 41.2985 179.3006 59 W 4.5978 8.4503 127.1162 60.7912 30.8372 177.8342 60 S 3.9797 8.8916 113.1145 60.5867 62.7684 175.0497 61 D 4.7292 8.4098 120.8426 55.8458 41.9031 177.4077 62 Y 3.4364 7.5703 118.3797 60.0840 39.0528 175.5877 63 F 3.9349 7.9477 118.3869 57.2630 39.5535 175.0171 64 K 4.6358 8.0979 123.2224 53.3372 35.5755 175.1369 65 P 4.4713 0.0000 0.0000 65.9333 30.9865 177.0869 66 P 4.2517 0.0000 0.0000 65.8622 31.1639 178.3994 67 H 4.3130 7.9145 115.0712 58.9642 28.3807 177.9362 68 F 4.2777 7.6960 117.9511 60.1620 38.8025 177.3405 69 E 4.1600 8.0446 117.9027 59.6917 29.4533 179.2513 70 S 4.2383 8.2413 113.9514 59.9915 64.1443 174.1990 71 Y 4.6142 7.9468 119.8658 54.6395 37.7133 174.1477 72 P 4.5029 0.0000 0.0000 64.8065 31.8772 177.8373 73 E 4.5043 8.0905 117.4854 56.2664 30.2736 177.2974 74 L 3.9012 8.3169 122.6173 58.4610 41.9830 178.4068 75 H 4.4045 8.3706 115.5734 59.4677 28.7364 177.6369 76 T 3.7794 7.9382 116.7390 66.4592 68.3257 176.1819 77 L 3.7213 8.0997 122.3808 58.2447 42.1606 179.3001 78 V 3.5540 8.0423 118.4349 65.8886 31.5452 177.4766 79 N 4.0709 8.1963 117.0644 56.6391 38.7075 176.7833 80 E 3.7776 8.4455 120.2250 58.9364 29.4544 179.1804 81 A 4.0293 7.6157 120.9300 55.3610 18.5253 180.2002 82 V 3.6321 7.7707 110.8741 64.3419 31.5391 179.0446 83 K 4.0059 8.0118 118.0388 59.1573 31.8052 179.2576 84 A 4.0842 8.2603 121.3989 55.1481 18.3006 179.7066 85 L 3.9926 7.8836 117.4412 58.0129 41.5140 179.9002 86 S 4.1393 8.1902 115.0226 61.4745 62.4965 176.5985 87 A 3.9929 7.9645 122.6244 55.0112 18.3598 179.2814 88 A 4.2756 8.0759 120.7485 54.5482 18.1564 180.0266 89 K 3.9591 7.8242 116.4498 59.2820 32.1791 178.4106 90 A 4.4535 7.3881 118.1437 51.3320 18.8632 176.6875 91 S 4.6458 7.2217 112.0434 57.4140 65.6282 173.9142 92 T 4.3493 8.3179 113.2710 61.3075 69.6733 173.8981 93 D 4.5139 8.1761 124.2116 53.2707 41.3881 175.0854 94 P 4.8937 0.0000 0.0000 64.6144 31.2557 178.2988 95 A 4.0010 8.8316 120.8691 55.1605 18.0695 179.7336 96 T 3.9640 8.2008 108.7427 64.9016 68.9153 177.2363 97 G 3.5871 8.1345 108.2038 47.3956 0.0000 175.2914 98 Q 3.9268 8.4075 122.2878 58.8209 29.1094 178.1658 99 K 3.6622 8.1534 120.4348 59.4397 32.0972 178.5508 100 A 4.1358 7.8115 120.8159 55.2645 18.2708 179.5463 101 L 3.9510 7.9067 117.4847 58.1312 41.5298 179.5719 102 D 4.3142 8.3391 119.0867 57.4964 40.6945 178.4852 103 Y 4.3731 7.8281 117.2879 61.1467 37.9059 178.3610 104 I 3.7780 8.2503 120.8349 64.4194 37.2218 178.3246 105 A 4.1800 8.3517 121.7229 55.2129 18.2614 179.7557 106 Q 4.0224 7.9437 116.5487 59.2423 28.7541 179.0224 107 I 3.7739 7.9513 120.8954 64.2756 37.1136 177.8856 108 D 4.3550 8.7402 119.3335 57.2711 41.0887 178.2889 109 K 4.1212 8.2407 120.0130 59.7656 32.2702 178.8548 110 I 3.5397 7.7315 119.8432 64.0550 36.7678 178.1349 111 F 4.0496 8.6549 121.9460 61.2945 39.2872 177.3797 112 W 4.2462 8.4638 118.2353 59.3969 28.6243 178.5605 113 E 4.1092 8.2356 119.3079 59.6360 28.7582 179.3832 114 T 4.0164 7.8041 108.3235 64.3841 68.8217 176.3147 115 K 4.0859 7.3660 121.0305 58.6373 32.1789 178.9232 116 K 4.1968 7.8736 118.1019 59.5382 32.8296 176.8632 117 A 4.1828 7.7162 126.5746 52.1732 18.3578 176.8036 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 H 8.43 4.54 0.00 3.24 3.23 0.00 5.47 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.62 4.09 0.00 3.07 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 3 D 8.34 4.59 0.00 2.86 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 4 L 8.03 4.07 0.00 1.59 1.76 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.54 0.00 2.30 2.09 0.00 3.81 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 2.00 1.98 0.00 6 C 8.47 4.29 0.00 3.04 3.01 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 7 G 8.36 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 0.00 0.00 0.00 8 V 7.29 4.39 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 0.83 0.00 0.00 0.93 0.00 0.00 9 Y 8.14 4.61 0.00 2.67 2.42 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 10 D 7.92 3.66 0.00 2.53 2.34 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 11 P 0.00 4.09 0.00 2.24 1.88 0.00 2.87 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.12 0.00 12 A 8.26 4.01 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 13 Q 8.01 3.80 0.00 1.82 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 14 A 7.79 4.06 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 15 R 8.07 3.82 0.00 1.91 2.09 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 16 I 8.09 3.74 1.87 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 1.52 0.93 0.92 0.00 0.00 17 E 8.03 4.01 0.00 2.17 2.21 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 2.59 2.56 0.00 18 A 8.32 4.09 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 19 E 8.57 3.98 0.00 2.14 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 2.53 2.50 0.00 20 S 7.93 4.11 0.00 4.07 3.92 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 21 V 7.77 3.54 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 1.00 0.00 0.00 0.94 0.00 0.00 22 K 8.04 4.08 0.00 1.89 1.79 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 23 A 8.30 4.01 1.41 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 0.00 0.00 0.00 24 I 8.33 3.72 2.07 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 1.53 0.68 0.91 0.00 0.00 25 Q 8.17 4.02 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 26 E 8.58 4.03 0.00 2.17 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 2.55 2.51 0.00 27 K 8.15 4.21 0.00 2.17 2.15 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.63 7.81 28 M 8.19 4.41 0.00 2.03 2.33 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.46 0.00 29 A 7.67 4.21 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 30 A 7.57 4.77 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 31 N 7.68 4.47 0.00 2.30 2.22 0.00 0.00 7.07 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 32 D 8.59 4.83 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 33 D 8.43 4.45 0.00 2.91 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 34 L 8.62 3.93 0.00 1.79 1.63 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.31 4.09 0.00 3.46 3.40 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.59 4.17 0.00 3.21 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 37 Q 8.25 3.81 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 38 I 7.89 3.64 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.82 0.88 0.00 0.00 39 R 8.04 3.82 0.00 1.73 1.91 0.00 3.17 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 40 A 7.79 3.73 0.81 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 0.00 0.00 41 T 7.71 3.71 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 1.17 0.00 0.00 42 V 7.88 3.55 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 1.01 0.00 0.00 0.92 0.00 0.00 43 I 8.08 3.91 1.90 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 1.39 0.48 0.90 0.00 0.00 44 K 8.40 3.86 0.00 1.80 1.98 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.27 3.90 0.00 2.28 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 0.00 2.29 2.39 0.00 46 Q 7.84 3.98 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 47 R 8.30 3.96 0.00 1.82 1.98 0.00 3.29 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 48 A 8.37 4.02 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 49 E 8.22 3.88 0.00 2.20 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 2.30 2.39 0.00 50 L 7.97 3.95 0.00 1.93 1.68 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.14 4.05 1.41 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 0.00 0.00 0.00 52 K 8.28 3.94 0.00 2.01 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.64 7.81 53 H 8.31 4.14 0.00 3.23 3.43 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.39 4.24 0.00 3.36 3.30 0.00 5.67 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 55 L 8.07 4.12 0.00 1.90 1.77 0.96 1.17 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 56 D 8.54 4.55 0.00 2.90 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 57 V 8.08 3.75 2.31 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 1.16 0.00 0.00 0.92 0.00 0.00 58 L 7.99 3.94 0.00 2.14 1.78 0.83 0.24 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 59 W 8.45 4.60 0.00 3.45 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 60 S 8.89 3.98 0.00 4.04 4.26 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 61 D 8.41 4.73 0.00 2.99 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 62 Y 7.57 3.44 0.00 1.43 2.43 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 63 F 7.95 3.93 0.00 2.91 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 0.00 0.00 0.00 64 K 8.10 4.64 0.00 1.44 1.53 0.00 1.44 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.31 7.81 65 P 0.00 4.47 0.00 2.15 2.18 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 66 P 0.00 4.25 0.00 1.95 2.02 0.00 3.41 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 1.98 2.11 0.00 67 H 7.91 4.31 0.00 2.95 3.19 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 68 F 7.70 4.28 0.00 3.18 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 69 E 8.04 4.16 0.00 2.17 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 2.36 2.39 0.00 70 S 8.24 4.24 0.00 3.63 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.95 4.61 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 72 P 0.00 4.50 0.00 2.21 2.22 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 73 E 8.09 4.50 0.00 2.08 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 0.00 2.37 2.26 0.00 74 L 8.32 3.90 0.00 1.82 1.82 0.55 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.37 4.40 0.00 3.26 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.94 3.78 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 1.16 0.00 0.00 77 L 8.10 3.72 0.00 1.79 1.80 0.96 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.04 3.55 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 0.93 0.00 0.00 1.16 0.00 0.00 79 N 8.20 4.07 0.00 2.67 2.75 0.00 0.00 7.22 8.08 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 80 E 8.45 3.78 0.00 1.52 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 2.16 2.24 0.00 81 A 7.62 4.03 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 82 V 7.77 3.63 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 0.94 0.00 0.00 0.89 0.00 0.00 83 K 8.01 4.01 0.00 1.97 1.83 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.48 7.81 84 A 8.26 4.08 1.61 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 85 L 7.88 3.99 0.00 1.92 1.74 0.95 0.95 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 86 S 8.19 4.14 0.00 4.04 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 87 A 7.96 3.99 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 88 A 8.08 4.28 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 89 K 7.82 3.96 0.00 1.96 2.01 0.00 1.69 0.00 0.00 1.95 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.62 7.81 90 A 7.39 4.45 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 91 S 7.22 4.65 0.00 3.76 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.32 4.35 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 1.20 0.00 0.00 93 D 8.18 4.51 0.00 2.71 2.60 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 94 P 0.00 4.89 0.00 2.20 2.16 0.00 3.94 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 95 A 8.83 4.00 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 96 T 8.20 3.96 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 1.21 0.00 0.00 97 G 8.13 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 98 Q 8.41 3.93 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 99 K 8.15 3.66 0.00 1.90 1.89 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.19 1.18 7.81 100 A 7.81 4.14 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 0.00 101 L 7.91 3.95 0.00 1.91 1.74 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.34 4.31 0.00 2.56 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 0.00 103 Y 7.83 4.37 0.00 3.22 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 0.00 104 I 8.25 3.78 2.07 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 1.51 0.73 0.94 0.00 0.00 105 A 8.35 4.18 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 0.00 106 Q 7.94 4.02 0.00 2.41 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 107 I 7.95 3.77 2.10 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 1.45 0.88 1.10 0.00 0.00 108 D 8.74 4.35 0.00 2.89 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 0.00 109 K 8.24 4.12 0.00 1.98 2.03 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.60 1.59 7.81 110 I 7.73 3.54 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.73 -0.09 0.00 0.00 111 F 8.65 4.05 0.00 2.96 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 0.00 112 W 8.46 4.25 0.00 3.55 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 0.00 113 E 8.24 4.11 0.00 2.31 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 2.45 2.54 0.00 114 T 7.80 4.02 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 1.32 0.00 0.00 115 K 7.37 4.09 0.00 1.91 1.95 0.00 1.50 0.00 0.00 1.04 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.35 0.54 7.81 116 K 7.87 4.20 0.00 1.99 2.21 0.00 1.69 0.00 0.00 1.95 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.64 7.81 117 A 7.72 4.18 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