NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.2265 8.3144 120.1140 56.6174 33.4084 175.3643 9 C 4.5517 8.1237 120.8890 55.5581 31.4331 171.0849 10 I 4.2706 8.5726 117.8124 59.1344 39.8999 176.1428 11 E 4.1207 8.9546 123.4052 59.0576 29.5316 177.3740 12 K 4.8129 7.8379 116.0214 54.5207 35.7778 176.7370 13 G 4.8275 9.0318 111.9044 44.9809 0.0000 172.1604 14 I 4.8321 8.1128 113.3974 59.6901 41.9993 174.0575 15 V 4.7878 8.6578 122.1826 61.1499 34.1128 174.1647 16 V 4.4000 9.1991 128.9249 61.1010 33.3377 174.2354 17 W 4.9410 9.0846 135.0000 55.7470 32.3883 174.6382 18 L 4.9288 8.5767 129.5347 54.0836 42.3974 176.0022 19 T 5.4082 9.4737 118.9841 58.3832 70.7478 173.1931 20 G 4.4659 8.1663 117.5470 45.2164 0.0000 171.9272 21 L 4.1259 7.3771 120.2707 53.9655 42.2622 175.5663 22 P 4.4986 0.0000 0.0000 63.9974 32.0505 177.2760 23 G 3.9793 8.8779 110.5426 45.4611 0.0000 174.9626 24 S 4.1202 7.6659 113.1395 59.1248 63.2487 174.9288 25 G 3.8275 7.8199 109.3901 46.6947 0.0000 175.9487 26 K 3.8884 8.2171 120.7070 59.7082 31.9889 179.0602 27 T 3.7761 7.7577 115.2511 66.8640 68.2919 176.8026 28 T 3.8364 7.7725 117.2837 66.4338 68.4238 176.7464 29 I 3.6240 7.5007 121.6719 64.2326 37.1371 178.1345 30 A 3.9382 8.0743 121.7297 55.6232 18.3128 179.7961 31 T 3.7704 8.3663 114.3792 66.9607 68.6549 177.2055 32 R 3.9457 8.2256 120.1399 58.8686 30.0487 178.8180 33 L 3.9731 8.2800 120.4009 58.1382 42.0610 178.8251 34 A 4.0020 8.1322 120.7480 55.1937 18.2497 179.0360 35 D 4.2650 8.0037 116.0870 57.4420 40.9082 178.4416 36 L 3.9874 7.7830 118.9917 58.0267 41.6868 179.6601 37 L 4.3651 8.1072 118.8053 57.9002 41.5520 179.6498 38 Q 4.2423 8.6214 118.5437 59.0055 28.4733 178.8575 39 K 4.2370 8.1226 118.3321 59.0035 32.1300 178.1510 40 E 4.4133 7.6328 115.2579 56.1661 29.8224 176.9783 41 G 3.8768 8.3658 108.2263 45.0106 0.0000 173.2795 42 Y 4.4869 7.4245 116.9613 57.1943 39.2674 175.5810 43 R 4.2851 8.6586 122.0405 56.1396 31.3795 175.7104 44 V 5.0323 8.3529 122.9454 61.2199 35.2009 174.2367 45 E 4.6276 8.9620 125.2841 54.5790 33.5965 174.4341 46 V 4.6422 8.2826 123.9006 61.1669 33.3841 174.5883 47 L 4.6664 9.0503 128.1399 52.8949 44.6642 175.3679 48 D 4.3408 8.1008 121.6422 49.3911 43.3353 176.5829 49 G 3.7478 8.1316 104.6964 47.9853 0.0000 175.3367 50 D 4.4037 8.0798 119.8207 56.9502 41.0793 178.3661 51 W 4.2869 9.4552 128.9096 60.4778 30.7165 177.5940 52 A 3.3307 8.4455 120.7347 55.3362 17.8545 179.5666 53 R 3.7533 8.3648 116.7370 59.3397 29.9382 178.1836 54 T 4.4858 7.3594 110.2691 62.6057 67.8646 173.9383 55 T 4.1825 7.3980 106.7580 62.5035 71.5098 174.8594 56 V 3.8101 7.0631 119.7050 61.9489 32.8234 177.3529 57 S 4.6610 7.7528 114.6687 57.7923 63.2644 173.5717 58 E 4.7515 7.4012 121.5892 55.6380 29.7857 175.3089 59 G 2.9129 10.1326 116.6200 48.2920 0.0000 173.7965 60 A 3.0156 8.5939 123.2349 53.5149 18.9777 177.1614 61 G 4.2882 8.9627 104.9508 48.3561 0.0000 173.1113 62 F 4.7560 8.3009 121.3442 56.1180 41.2298 176.1068 63 T 4.1110 7.7557 115.5780 62.0424 69.1810 174.7821 64 R 3.9832 8.5488 124.4767 59.0968 30.0697 179.0329 65 E 3.9125 8.3361 119.5263 59.1502 29.5593 178.7304 66 E 3.8813 8.0525 118.0824 59.5786 29.6266 179.1894 67 R 3.9624 8.1604 118.6810 59.2655 30.0855 178.3182 68 L 3.9902 8.0238 120.4184 58.1525 42.1982 179.1736 69 R 3.9696 7.9616 118.1640 59.3167 29.9696 178.5553 70 H 4.1953 8.5580 118.5605 59.3649 29.8566 177.4467 71 L 3.9301 8.3046 121.1715 57.5113 41.4259 179.4174 72 K 3.9625 8.2533 119.8274 59.2363 32.0986 178.9762 73 R 4.0263 7.9996 118.9689 59.4528 30.0291 178.5296 74 I 3.8185 7.8622 119.3891 64.3738 37.0710 178.1039 75 A 4.0577 8.2507 121.6837 55.2564 18.1977 179.8139 76 W 3.8369 8.3941 117.2652 59.7723 29.0957 178.9692 77 I 3.9121 8.2241 119.8034 64.3434 36.5353 178.3132 78 A 4.0916 8.6360 122.1667 55.0430 18.2355 179.6051 79 R 3.7726 8.1827 117.2933 59.5277 29.9035 178.7545 80 L 4.0824 7.8805 117.3127 57.7950 41.9473 179.2274 81 L 4.1521 8.0445 118.5407 57.9491 41.6687 179.5157 82 A 4.2931 8.4290 121.2699 55.0551 18.1224 179.3745 83 R 4.2618 8.0507 112.5988 57.8847 29.6098 177.5164 84 N 4.9971 8.1636 117.0457 52.9344 39.6978 175.4744 85 G 3.9569 8.3185 107.8750 45.0541 0.0000 174.0042 86 V 4.3080 7.4503 119.5964 61.7894 33.8666 174.8777 87 I 4.5531 8.3833 128.0362 60.3802 38.3620 174.8033 88 V 4.6369 8.8426 128.9999 61.3362 33.4591 174.4815 89 I 4.7232 8.9928 129.6329 59.9590 39.2817 174.2742 90 C 5.1434 9.0907 125.8942 57.8521 30.9471 173.0867 91 S 4.7657 8.5323 118.3834 56.5680 64.4987 172.6391 92 F 4.8327 8.4047 125.1505 55.8997 43.1523 175.6203 93 V 3.9308 9.5923 123.7223 64.9170 32.0686 176.1320 94 S 4.1388 8.2574 110.6321 58.8110 61.5495 169.8637 95 P 4.2575 0.0000 0.0000 65.8133 32.0886 176.5531 96 Y 4.8662 7.6409 117.4381 56.2406 39.7128 175.9865 97 K 3.8556 9.0638 126.3630 59.7679 32.4312 179.0607 98 Q 3.9355 8.1097 117.5323 58.7694 28.6608 178.4666 99 A 3.9253 7.9753 121.1596 55.4215 18.5236 179.6469 100 R 3.5990 8.0763 116.4629 59.5467 30.2228 179.1507 101 N 4.1569 8.3823 116.5070 56.1619 38.4213 177.1931 102 M 3.9109 7.8126 119.9947 58.3098 32.4047 178.4524 103 V 3.2189 7.3015 118.5463 65.6004 31.5883 177.9179 104 R 2.0000 7.2214 118.4215 58.9373 29.8169 178.6986 105 R 3.7826 7.3907 117.3723 59.1507 29.7596 179.1144 106 I 3.3775 6.9338 118.2365 64.1720 37.4526 178.4375 107 V 3.5199 7.1331 118.4543 66.0251 31.4639 178.0304 108 E 4.0119 8.4129 118.2841 58.8540 28.9712 178.8363 109 E 3.8963 7.8117 119.0315 58.7533 29.7322 177.5914 110 E 4.1926 7.7891 117.0161 56.3596 29.8237 177.0221 111 G 3.8642 7.8379 106.0822 46.4417 0.0000 173.1031 112 I 4.2917 7.3302 119.3928 58.8930 38.6695 173.9413 113 P 4.4238 0.0000 0.0000 62.6210 32.5419 175.0272 114 F 5.0853 8.8714 126.2244 56.6363 41.4545 174.6344 115 L 4.4162 8.4431 128.6196 53.0730 42.8718 175.6570 116 E 4.5688 8.5810 126.5722 55.5855 31.0409 175.0210 117 I 4.8304 9.3753 129.8429 59.7566 39.7616 174.4164 118 Y 5.0714 9.0629 130.2558 56.9771 40.0007 174.8181 119 V 4.2324 9.0543 129.4543 61.6441 32.3665 174.1217 120 K 3.7582 8.3600 130.3570 54.9942 33.1324 175.2959 121 A 5.1193 8.2177 127.9649 50.1483 22.9648 174.9979 122 S 4.5422 10.1746 115.0140 56.9514 64.8151 175.2986 123 L 3.9390 8.6595 125.0956 58.4482 41.7320 179.1601 124 E 3.9444 8.1046 117.8652 59.5043 29.5716 178.8474 125 E 3.9192 7.9099 119.2994 59.3505 29.4597 179.2742 126 V 3.6699 7.6899 111.9351 64.1763 31.8174 178.2457 127 I 3.9620 7.8932 113.2830 63.7722 37.4611 178.3683 128 R 3.9018 8.0401 117.1635 58.8134 29.2084 178.1836 129 R 4.3373 7.6278 115.3820 56.1905 31.7736 175.8407 130 D 4.8362 8.1926 119.1115 51.4760 41.6031 174.4926 131 P 4.3087 0.0000 0.0000 65.7787 31.6425 177.9106 132 K 4.0854 8.1556 119.1315 59.5028 32.1201 178.7084 133 G 3.6469 8.7515 106.2395 47.6568 0.0000 175.1354 134 L 3.9552 7.8796 122.7753 58.0421 42.1280 178.2857 135 Y 4.4050 8.1536 119.2886 61.0996 38.6817 178.5403 136 K 3.7827 8.1754 119.0688 59.1733 31.8344 179.6050 137 K 3.9643 8.4125 118.9662 59.1463 32.0214 179.2693 138 A 4.0575 8.0502 121.3491 55.1018 18.0894 179.7015 139 L 4.0378 7.6916 116.6815 57.1245 41.7972 178.6396 140 K 4.2557 8.2373 117.5651 56.1585 32.5161 176.6047 141 G 3.6949 7.4243 104.7440 50.8369 0.0000 176.3170 142 E 3.5395 8.6920 120.0635 56.1254 31.5090 179.6242 *150 T 4.3582 8.4501 128.1969 63.9601 70.0149 173.1244 151 D 4.8666 7.7961 119.3523 51.4693 41.8545 173.1071 152 P 4.4750 0.0000 0.0000 61.9709 32.2723 175.9681 153 Y 4.0760 8.4623 123.3604 57.6427 39.6631 174.7569 154 E 4.3517 7.6330 126.3660 53.6612 30.8119 174.2556 155 P 3.8954 0.0000 0.0000 61.4420 32.1659 175.1367 156 P 4.3050 0.0000 0.0000 62.8995 31.8809 176.7517 157 E 4.2196 8.5980 120.5911 58.7350 30.2929 177.2543 158 N 5.0601 7.5901 114.5535 50.9815 38.1421 172.1034 159 P 4.5730 0.0000 0.0000 62.6131 32.7707 178.2840 160 Q 4.1496 8.7676 119.4032 58.2175 29.2718 175.9076 161 L 4.4975 7.4947 118.9775 53.9320 46.2559 173.6993 162 V 4.7470 8.4724 124.1477 61.2622 33.9502 174.8055 163 L 4.5075 9.2551 129.7189 53.1848 43.0743 175.6884 164 D 4.9418 8.5638 125.7170 53.4634 41.0660 176.7964 165 T 4.2076 8.5943 116.6273 63.1209 69.0353 175.1976 166 E 4.4249 8.3988 121.0021 57.0857 30.8661 177.0150 167 S 4.5249 8.1674 112.8566 58.8859 63.8961 173.4763 168 N 5.1160 7.6184 115.7665 50.7227 41.9981 174.7017 169 T 4.1919 7.9707 110.1310 61.2462 71.2014 175.6220 170 I 3.6226 8.1629 122.9199 64.8517 37.1437 178.5360 171 E 3.9295 7.9589 118.6935 59.7229 29.2401 179.0047 172 H 4.1434 7.9697 116.1047 58.5535 28.7040 177.6783 173 N 4.0537 8.0016 118.4893 56.0984 38.3893 177.5678 174 V 3.5877 8.0615 120.1079 66.0558 31.6144 177.9634 175 S 4.1902 8.1210 112.8374 61.5986 62.0756 175.7086 176 Y 4.4429 8.0625 119.6308 61.1458 37.5639 178.4908 177 L 4.0156 8.1857 121.1991 58.3535 42.2795 178.2025 178 Y 4.0336 8.6474 119.8891 60.8732 38.6425 178.3782 179 S 4.0997 8.4392 116.0475 61.4339 62.9888 176.4782 180 L 3.8726 7.6830 123.1129 58.0312 41.8565 178.9053 181 V 3.4473 7.8193 118.3775 66.2094 31.3461 178.2240 182 K 3.7944 7.7760 117.6639 59.2271 31.5690 179.2637 183 A 4.0291 7.7551 120.3102 54.5704 18.2519 179.4332 184 V 3.7774 7.3173 116.2897 65.5249 31.9892 177.7083 185 I 3.9987 7.9988 111.2009 62.4802 37.9863 175.2586 186 E 4.1559 8.2413 125.9065 56.2740 29.4851 175.7674 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 8 K 8.31 4.23 0.00 1.51 1.65 0.00 1.09 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.21 7.81 9 C 8.12 4.55 0.00 2.95 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 10 I 8.57 4.27 1.93 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 1.54 0.86 1.07 0.00 0.00 11 E 8.95 4.12 0.00 1.97 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 0.00 2.33 2.42 0.00 12 K 7.84 4.81 0.00 1.68 1.67 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.45 7.81 13 G 9.03 4.83 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 14 I 8.11 4.83 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.09 0.86 0.00 0.00 15 V 8.66 4.79 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 1.32 0.00 0.00 1.04 0.00 0.00 16 V 9.20 4.40 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 0.83 0.00 0.00 0.87 0.00 0.00 17 W 9.08 4.94 0.00 3.02 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.58 4.93 0.00 1.55 1.54 0.88 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 T 9.47 5.41 4.78 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 1.60 0.00 0.00 20 G 8.17 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 0.00 0.00 0.00 0.00 21 L 7.38 4.13 0.00 1.60 1.53 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.50 0.00 2.03 1.98 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 23 G 8.88 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 24 S 7.67 4.12 0.00 3.92 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 25 G 7.82 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 26 K 8.22 3.89 0.00 1.73 1.79 0.00 1.71 0.00 0.00 1.94 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.50 7.81 27 T 7.76 3.78 4.18 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 1.14 0.00 0.00 28 T 7.77 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 1.17 0.00 0.00 29 I 7.50 3.62 2.00 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 1.41 0.79 0.89 0.00 0.00 30 A 8.07 3.94 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 31 T 8.37 3.77 4.35 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 1.18 0.00 0.00 32 R 8.23 3.95 0.00 1.81 1.94 0.00 3.08 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 33 L 8.28 3.97 0.00 1.83 1.84 1.03 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.13 4.00 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 35 D 8.00 4.27 0.00 2.94 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 36 L 7.78 3.99 0.00 2.04 1.85 0.72 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.11 4.37 0.00 1.78 1.83 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.62 4.24 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.69 0.00 39 K 8.12 4.24 0.00 1.92 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.74 1.63 7.81 40 E 7.63 4.41 0.00 2.31 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 2.39 2.51 0.00 41 G 8.37 3.88 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 0.00 0.00 0.00 42 Y 7.42 4.49 0.00 3.11 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 43 R 8.66 4.29 0.00 1.88 1.89 0.00 3.13 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 44 V 8.35 5.03 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 0.79 0.00 0.00 1.02 0.00 0.00 45 E 8.96 4.63 0.00 1.81 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 2.30 0.00 46 V 8.28 4.64 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 0.68 0.00 0.00 0.86 0.00 0.00 47 L 9.05 4.67 0.00 1.75 1.77 1.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.10 4.34 0.00 2.37 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 49 G 8.13 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 0.00 0.00 0.00 50 D 8.08 4.40 0.00 2.86 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 51 W 9.46 4.29 0.00 3.37 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 52 A 8.45 3.33 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 0.00 0.00 53 R 8.36 3.75 0.00 2.06 2.01 0.00 3.17 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 54 T 7.36 4.49 4.19 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 1.20 0.00 0.00 55 T 7.40 4.18 3.86 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 0.00 0.00 0.96 0.00 0.00 56 V 7.06 3.81 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 0.66 0.00 0.00 0.78 0.00 0.00 57 S 7.75 4.66 0.00 3.90 3.77 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 58 E 7.40 4.75 0.00 1.90 1.79 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 2.25 2.28 0.00 59 G 10.13 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 0.00 0.00 0.00 60 A 8.59 3.02 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 61 G 8.96 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 62 F 8.30 4.76 0.00 3.08 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 63 T 7.76 4.11 4.28 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 1.25 0.00 0.00 64 R 8.55 3.98 0.00 1.83 1.84 0.00 2.95 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 65 E 8.34 3.91 0.00 2.02 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 2.29 2.33 0.00 66 E 8.05 3.88 0.00 2.19 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 2.37 2.26 0.00 67 R 8.16 3.96 0.00 1.99 2.04 0.00 3.32 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.82 0.00 68 L 8.02 3.99 0.00 1.99 1.83 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.96 3.97 0.00 2.16 1.97 0.00 3.17 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 70 H 8.56 4.20 0.00 3.19 3.47 0.00 5.78 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 71 L 8.30 3.93 0.00 1.73 1.69 1.09 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.25 3.96 0.00 1.86 1.99 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.66 1.60 7.81 73 R 8.00 4.03 0.00 2.07 2.15 0.00 3.19 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 1.71 1.75 0.00 74 I 7.86 3.82 2.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 -0.09 0.96 0.00 0.00 75 A 8.25 4.06 1.21 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 76 W 8.39 3.84 0.00 3.71 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 77 I 8.22 3.91 2.21 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.15 1.09 0.00 0.00 78 A 8.64 4.09 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 79 R 8.18 3.77 0.00 1.66 1.91 0.00 2.73 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 80 L 7.88 4.08 0.00 1.92 1.82 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.04 4.15 0.00 1.87 1.74 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.43 4.29 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 83 R 8.05 4.26 0.00 2.01 2.15 0.00 3.27 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.71 0.00 84 N 8.16 5.00 0.00 2.94 2.87 0.00 0.00 7.15 7.18 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 85 G 8.32 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 86 V 7.45 4.31 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 1.03 0.00 0.00 0.95 0.00 0.00 87 I 8.38 4.55 1.83 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.44 0.82 0.00 0.00 88 V 8.84 4.64 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 0.99 0.00 0.00 0.99 0.00 0.00 89 I 8.99 4.72 1.80 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 1.18 0.48 0.84 0.00 0.00 90 C 9.09 5.14 0.00 2.34 2.54 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 91 S 8.53 4.77 0.00 3.61 3.36 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 92 F 8.40 4.83 0.00 2.76 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 93 V 9.59 3.93 2.25 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 1.35 0.00 0.00 1.00 0.00 0.00 94 S 8.26 4.14 0.00 4.49 4.60 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 95 P 0.00 4.26 0.00 1.80 2.42 0.00 3.85 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.93 0.00 96 Y 7.64 4.87 0.00 3.06 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 97 K 9.06 3.86 0.00 1.73 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.42 7.81 98 Q 8.11 3.94 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 99 A 7.98 3.93 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 0.00 100 R 8.08 3.60 0.00 1.96 1.89 0.00 3.41 0.00 0.00 3.63 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.01 0.00 101 N 8.38 4.16 0.00 2.75 2.75 0.00 0.00 6.64 7.21 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 0.00 102 M 7.81 3.91 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 103 V 7.30 3.22 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 0.03 0.00 0.00 0.56 0.00 0.00 104 R 7.22 2.00 0.00 1.06 1.61 0.00 3.01 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.22 0.00 105 R 7.39 3.78 0.00 1.89 1.82 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.77 0.00 106 I 6.93 3.38 1.65 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 1.25 0.38 -0.12 0.00 0.00 107 V 7.13 3.52 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 1.20 0.00 0.00 0.96 0.00 0.00 108 E 8.41 4.01 0.00 1.91 1.91 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 2.32 2.35 0.00 109 E 7.81 3.90 0.00 2.01 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 2.28 2.28 0.00 110 E 7.79 4.19 0.00 1.87 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 2.27 2.34 0.00 111 G 7.84 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.33 4.29 2.01 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 1.39 0.88 0.98 0.00 0.00 113 P 0.00 4.42 0.00 2.07 1.97 0.00 3.67 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 2.10 2.08 0.00 114 F 8.87 5.09 0.00 2.92 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 0.00 115 L 8.44 4.42 0.00 1.51 1.55 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.58 4.57 0.00 2.23 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 2.52 2.57 0.00 117 I 9.38 4.83 1.93 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 0.80 0.97 0.00 0.00 118 Y 9.06 5.07 0.00 3.08 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 0.00 119 V 9.05 4.23 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 0.79 0.00 0.00 0.94 0.00 0.00 120 K 8.36 3.76 0.00 0.79 1.19 0.00 1.49 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.21 1.17 7.81 121 A 8.22 5.12 1.10 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 0.00 122 S 10.17 4.54 0.00 4.07 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 0.00 123 L 8.66 3.94 0.00 1.76 1.73 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.10 3.94 0.00 2.09 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 2.41 2.44 0.00 125 E 7.91 3.92 0.00 2.04 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 0.00 2.28 2.37 0.00 126 V 7.69 3.67 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 0.78 0.00 0.00 1.00 0.00 0.00 127 I 7.89 3.96 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 1.87 0.62 0.97 0.00 0.00 128 R 8.04 3.90 0.00 1.97 2.27 0.00 3.05 0.00 0.00 3.40 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.67 0.00 129 R 7.63 4.34 0.00 1.81 2.00 0.00 3.26 0.00 0.00 3.14 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 130 D 8.19 4.84 0.00 2.68 2.59 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 0.00 131 P 0.00 4.31 0.00 2.29 2.29 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 132 K 8.16 4.09 0.00 1.88 1.88 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.57 7.81 133 G 8.75 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.88 3.96 0.00 1.83 1.90 0.94 0.85 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 0.00 135 Y 8.15 4.40 0.00 3.10 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 0.00 136 K 8.18 3.78 0.00 1.79 1.74 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.20 1.61 7.81 137 K 8.41 3.96 0.00 1.90 1.82 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.73 1.59 7.81 138 A 8.05 4.06 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 0.00 0.00 0.00 0.00 0.00 139 L 7.69 4.04 0.00 1.60 1.59 0.23 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.24 4.26 0.00 1.73 1.78 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.40 7.81 141 G 7.42 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 0.00 0.00 0.00 142 E 8.69 3.54 0.00 2.01 1.54 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 2.35 2.27 0.00 *150 T 8.45 4.36 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 1.26 0.00 0.00 151 D 7.80 4.87 0.00 2.68 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 0.00 152 P 0.00 4.48 0.00 2.06 2.01 0.00 3.75 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 2.06 2.10 0.00 153 Y 8.46 4.08 0.00 2.96 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 0.00 154 E 7.63 4.35 0.00 1.65 1.71 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 2.14 2.25 0.00 155 P 0.00 3.90 0.00 1.78 1.43 0.00 3.58 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 2.09 2.25 0.00 156 P 0.00 4.31 0.00 2.04 2.28 0.00 3.10 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 157 E 8.60 4.22 0.00 1.94 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 2.27 2.29 0.00 158 N 7.59 5.06 0.00 2.66 2.71 0.00 0.00 6.93 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 0.00 159 P 0.00 4.57 0.00 2.57 2.30 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 160 Q 8.77 4.15 0.00 1.95 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 161 L 7.49 4.50 0.00 1.82 1.49 0.90 0.77 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 0.00 162 V 8.47 4.75 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 0.82 0.00 0.00 1.10 0.00 0.00 163 L 9.26 4.51 0.00 1.57 1.60 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 164 D 8.56 4.94 0.00 2.71 2.59 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 0.00 165 T 8.59 4.21 4.18 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 1.21 0.00 0.00 166 E 8.40 4.42 0.00 2.08 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 2.23 2.21 0.00 167 S 8.17 4.52 0.00 3.86 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 0.00 168 N 7.62 5.12 0.00 2.73 2.59 0.00 0.00 7.02 8.13 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 0.00 169 T 7.97 4.19 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 1.13 0.00 0.00 170 I 8.16 3.62 1.80 0.00 0.00 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 1.58 0.53 0.85 0.00 0.00 171 E 7.96 3.93 0.00 1.85 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 2.32 2.31 0.00 172 H 7.97 4.14 0.00 3.10 2.76 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 N 8.00 4.05 0.00 2.92 2.81 0.00 0.00 6.58 6.98 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 0.00 174 V 8.06 3.59 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 0.87 0.00 0.00 0.96 0.00 0.00 175 S 8.12 4.19 0.00 4.00 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 0.00 176 Y 8.06 4.44 0.00 3.16 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 0.00 177 L 8.19 4.02 0.00 1.84 1.89 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 178 Y 8.65 4.03 0.00 3.00 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 0.00 179 S 8.44 4.10 0.00 4.15 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 0.00 180 L 7.68 3.87 0.00 1.70 1.80 0.90 0.84 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 0.00 181 V 7.82 3.45 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 0.76 0.00 0.00 0.93 0.00 0.00 182 K 7.78 3.79 0.00 1.55 1.66 0.00 1.51 0.00 0.00 1.24 0.00 0.00 3.24 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.67 0.72 7.81 183 A 7.76 4.03 1.34 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 0.00 0.00 184 V 7.32 3.78 2.15 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 0.85 0.00 0.00 0.96 0.00 0.00 185 I 8.00 4.00 1.69 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.56 0.77 0.00 0.00 186 E 8.24 4.16 0.00 1.92 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 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.