NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2951 8.2649 123.5787 51.0005 19.9429 176.6855 2 P 4.2274 0.0000 0.0000 61.0651 31.8278 174.8895 3 Q 4.6093 8.4048 118.2668 55.7588 30.1991 174.9133 4 N 5.0438 7.4595 115.5366 50.8041 41.6930 174.8906 5 I 3.7596 8.2458 120.7889 64.2111 38.0014 178.3103 6 T 3.8117 7.8626 116.4351 66.7424 68.1533 176.2673 7 E 3.9702 8.5352 119.3403 59.0952 29.7907 178.8503 8 L 3.9954 7.7779 119.0693 58.0469 41.7524 178.6547 9 C 4.4292 8.4061 118.5914 59.8725 43.3387 175.7503 10 S 3.9294 7.6645 114.1098 60.9960 62.4526 175.4368 11 E 4.1656 7.7711 120.0958 56.2312 29.7128 175.7784 12 Y 4.7111 7.1132 116.8546 56.8236 39.7620 174.4980 13 H 4.7305 8.8643 118.6618 55.9324 30.3123 175.0255 14 N 4.2703 8.9332 121.6111 55.4109 36.9090 172.9134 15 T 5.1684 7.8273 105.1797 59.9461 72.2289 172.9533 16 Q 4.5469 8.9226 119.1981 54.9947 32.5453 173.4059 17 I 4.5397 8.0326 120.6659 60.7573 38.6321 174.9056 18 Y 4.6251 8.9817 124.1838 56.1316 40.7054 174.1534 19 E 4.6517 8.9067 125.5950 55.4306 30.3867 173.9896 20 L 4.3229 9.0560 125.5723 55.7004 43.8785 178.1535 21 N 4.2037 7.9681 114.1501 53.2394 36.3798 173.3406 22 K 4.7637 7.7027 114.2507 55.5527 36.1951 175.0106 23 E 4.8315 8.5117 117.4177 55.3713 30.6937 176.4580 24 I 3.3234 8.1739 121.7728 61.4276 37.7623 176.0603 25 K 4.3406 8.4303 127.3258 58.8340 33.0070 177.1843 26 T 4.6549 7.6758 114.9178 61.6963 72.8678 172.3647 27 Y 4.9703 7.9955 125.4037 56.0023 41.5612 174.5201 28 T 4.5908 8.2439 122.9836 61.4597 72.2559 172.7574 29 E 5.1018 8.5497 123.2005 54.5020 32.7151 175.0020 30 S 4.7438 8.8097 116.2632 56.2547 67.0253 173.0925 31 L 4.4127 8.5203 121.7840 54.1134 42.1641 177.5561 32 A 4.6430 8.1608 127.5873 51.0664 20.6951 177.9413 33 G 3.9985 8.1806 118.4152 46.9422 0.0000 175.5772 34 Y 4.3563 9.2285 124.2214 58.2197 38.7923 175.5679 35 R 4.5154 6.9563 115.2354 54.1987 32.6884 173.5359 36 E 4.8637 8.3428 118.2092 55.6300 31.0408 175.6629 37 M 4.3243 8.9224 124.2135 54.9947 34.2170 175.0802 38 V 4.6920 8.1681 123.9690 61.2216 35.1130 173.8132 39 I 5.1520 8.5473 128.6507 59.3493 40.5612 174.5989 40 I 5.0662 8.9598 120.1405 59.1591 40.9320 174.5315 41 S 5.1313 8.6311 117.1132 56.9935 66.9737 172.6558 42 F 5.0688 9.1130 119.2770 55.2679 41.8092 176.6147 43 A 3.9775 9.0531 122.7778 55.2662 18.1134 178.2268 44 N 4.6267 8.2823 110.8537 52.9285 37.6600 176.1248 45 G 3.8662 8.3455 108.2281 45.0730 0.0000 173.9566 46 A 3.8691 7.9956 122.5535 52.4406 19.2594 176.6810 47 T 4.8844 7.6867 118.6981 61.7021 71.6869 173.5556 48 F 5.3181 9.2697 123.6044 56.0161 44.2237 173.3324 49 Q 5.0710 9.2082 118.3397 54.6792 32.8429 174.0035 50 V 4.5234 7.9879 119.6785 61.9878 32.1533 174.7384 51 E 4.6869 8.3143 124.9346 55.4141 32.2144 175.4323 52 V 3.6395 8.4019 119.8865 60.2905 32.1168 174.6754 53 P 3.9976 0.0000 0.0000 64.7250 31.1011 177.8988 *62 K 4.4192 7.8372 120.7441 55.0018 34.2334 182.5966 63 R 3.9981 7.9193 118.5504 58.8900 30.1087 176.9309 64 P 4.3511 0.0000 0.0000 65.3585 31.3435 178.6328 65 L 4.0553 7.8277 117.5737 57.8030 41.6500 178.9855 66 E 3.9951 8.2494 118.5517 59.4827 29.3493 179.4685 67 R 3.8926 8.0015 118.5304 59.6123 30.1708 178.1053 68 M 4.0362 8.1966 117.9579 58.7129 32.2354 178.2263 69 K 4.0480 8.1535 118.4842 59.7958 32.2353 179.0852 70 D 4.4037 8.3320 119.0403 57.5428 40.6025 178.9716 71 T 3.8984 8.2161 116.4974 66.6336 68.4138 176.7318 72 L 4.0865 8.1960 120.9457 57.7102 41.5817 179.4803 73 R 3.3741 8.2979 118.4596 59.2531 29.9927 178.3907 74 A 3.8963 8.1526 120.3099 55.0659 18.4207 179.2837 75 A 3.9509 8.2907 119.5153 55.5011 18.2205 179.1923 76 Y 3.8429 8.0004 116.6504 61.0310 39.0146 178.0865 77 F 3.9411 8.5474 117.6943 60.1092 39.0897 176.9422 78 T 4.3492 7.8987 107.2943 60.9304 69.2217 175.3248 79 G 3.7667 7.5087 108.9907 46.3481 0.0000 173.7401 80 I 3.8739 7.5972 118.7234 60.1001 39.2009 175.0745 81 K 4.2802 8.4547 127.9718 56.2308 33.8221 175.5285 82 V 4.0669 8.7191 127.9698 62.4639 32.3861 175.8763 83 S 4.6191 9.0710 124.4674 59.8261 62.6596 173.3694 84 K 5.1259 7.7895 117.6258 54.4887 36.8961 174.4937 85 L 5.0650 8.6678 122.1435 53.0688 45.4554 174.6471 86 C 5.0494 8.8811 123.7474 55.4386 42.3205 172.7878 87 V 4.8807 8.4695 119.0970 59.1336 35.4443 175.2320 88 W 4.7361 9.0515 123.4220 56.3902 30.0227 175.7516 89 N 4.7520 8.7702 119.8983 54.7168 38.2928 176.6210 90 N 4.3539 8.9550 117.3957 53.7337 37.4557 175.4990 91 K 4.4954 8.3772 114.5487 54.6298 34.8147 175.7755 92 T 4.6984 8.0723 117.5616 61.9801 69.5889 173.3319 93 P 4.4337 0.0000 0.0000 62.1800 32.3424 176.1353 94 N 5.3955 8.7056 120.7743 53.2323 39.9507 174.5359 95 S 4.9865 9.1083 118.9118 58.7013 64.4738 173.2747 96 I 4.5285 8.5394 124.9975 60.7155 37.2164 175.5682 97 A 4.1679 8.6214 129.0013 53.2357 19.9837 176.8922 98 A 4.6456 7.2955 114.4267 50.9113 22.7694 175.2437 99 I 4.9097 8.2530 119.0901 59.0866 41.6571 174.0035 100 E 4.7138 9.2364 129.2132 54.3291 32.2637 174.2411 101 L 5.1014 8.5246 126.4436 52.9571 44.0764 176.4993 102 S 4.1045 8.1022 115.8191 58.7309 62.6028 173.4053 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 A 8.26 4.30 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 2 P 0.00 4.23 0.00 2.09 1.95 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 3 Q 8.40 4.61 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 4 N 7.46 5.04 0.00 2.93 2.88 0.00 0.00 5.82 7.67 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 5 I 8.25 3.76 1.86 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 1.61 1.54 0.89 0.00 0.00 6 T 7.86 3.81 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 7 E 8.54 3.97 0.00 1.99 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 2.31 2.32 0.00 8 L 7.78 4.00 0.00 1.87 1.70 0.92 0.73 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 9 C 8.41 4.43 0.00 3.17 3.17 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 10 S 7.66 3.93 0.00 3.99 3.97 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 11 E 7.77 4.17 0.00 1.73 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 2.21 2.42 0.00 12 Y 7.11 4.71 0.00 2.83 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 13 H 8.86 4.73 0.00 3.29 3.36 0.00 6.03 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.93 4.27 0.00 3.06 3.10 0.00 0.00 6.75 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 15 T 7.83 5.17 3.97 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 0.45 0.00 0.00 16 Q 8.92 4.55 0.00 1.85 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 17 I 8.03 4.54 1.77 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 1.27 0.78 0.85 0.00 0.00 18 Y 8.98 4.63 0.00 2.75 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 19 E 8.91 4.65 0.00 1.95 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 0.00 2.22 2.30 0.00 20 L 9.06 4.32 0.00 1.36 1.21 0.29 0.45 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 21 N 7.97 4.20 0.00 2.85 2.83 0.00 0.00 6.53 7.02 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 22 K 7.70 4.76 0.00 2.03 1.91 0.00 1.34 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.55 7.81 23 E 8.51 4.83 0.00 2.11 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 2.30 2.36 0.00 24 I 8.17 3.32 2.01 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.58 0.94 0.00 0.00 25 K 8.43 4.34 0.00 1.81 1.95 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.50 7.81 26 T 7.68 4.65 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 27 Y 8.00 4.97 0.00 2.61 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 0.00 0.00 0.00 28 T 8.24 4.59 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 1.07 0.00 0.00 29 E 8.55 5.10 0.00 1.84 1.63 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 2.22 2.28 0.00 30 S 8.81 4.74 0.00 3.81 3.87 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 31 L 8.52 4.41 0.00 1.53 1.63 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.16 4.64 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 33 G 8.18 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 9.23 4.36 0.00 3.13 3.11 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 0.00 0.00 0.00 0.00 35 R 6.96 4.52 0.00 1.71 1.27 0.00 2.21 0.00 0.00 2.80 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.23 0.00 36 E 8.34 4.86 0.00 1.84 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.27 0.00 37 M 8.92 4.32 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 38 V 8.17 4.69 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 0.86 0.00 0.00 0.91 0.00 0.00 39 I 8.55 5.15 1.72 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 1.22 0.56 0.86 0.00 0.00 40 I 8.96 5.07 1.74 0.00 0.00 1.00 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 1.52 1.01 0.00 0.00 41 S 8.63 5.13 0.00 3.89 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 42 F 9.11 5.07 0.00 3.19 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 43 A 9.05 3.98 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 44 N 8.28 4.63 0.00 2.86 2.96 0.00 0.00 6.21 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 45 G 8.35 3.87 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 0.00 0.00 0.00 46 A 8.00 3.87 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 47 T 7.69 4.88 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 1.13 0.00 0.00 48 F 9.27 5.32 0.00 3.00 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 49 Q 9.21 5.07 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 50 V 7.99 4.52 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 0.80 0.00 0.00 1.00 0.00 0.00 51 E 8.31 4.69 0.00 1.89 1.75 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 2.07 2.19 0.00 52 V 8.40 3.64 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 0.77 0.00 0.00 0.90 0.00 0.00 53 P 0.00 4.00 0.00 1.54 1.39 0.00 3.17 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.44 0.00 *62 K 7.84 4.42 0.00 1.73 1.88 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 63 R 7.92 4.00 0.00 1.94 1.98 0.00 3.22 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 64 P 0.00 4.35 0.00 2.26 2.14 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 65 L 7.83 4.06 0.00 1.91 1.75 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.25 4.00 0.00 2.18 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 2.36 2.50 0.00 67 R 8.00 3.89 0.00 1.92 2.13 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 68 M 8.20 4.04 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.70 0.00 69 K 8.15 4.05 0.00 2.10 1.93 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.73 7.81 70 D 8.33 4.40 0.00 2.86 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 71 T 8.22 3.90 4.42 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 1.25 0.00 0.00 72 L 8.20 4.09 0.00 2.03 1.92 1.03 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.30 3.37 0.00 1.77 1.99 0.00 2.94 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 1.29 1.28 0.00 74 A 8.15 3.90 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 75 A 8.29 3.95 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 76 Y 8.00 3.84 0.00 3.06 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.55 3.94 0.00 3.03 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 78 T 7.90 4.35 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 1.30 0.00 0.00 79 G 7.51 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 0.00 0.00 0.00 80 I 7.60 3.87 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 1.31 0.74 0.94 0.00 0.00 81 K 8.45 4.28 0.00 1.95 1.68 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.48 1.48 7.81 82 V 8.72 4.07 2.39 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 0.91 0.00 0.00 1.16 0.00 0.00 83 S 9.07 4.62 0.00 3.97 3.97 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 84 K 7.79 5.13 0.00 1.65 1.57 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.41 7.81 85 L 8.67 5.07 0.00 1.22 1.24 0.30 0.80 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 86 C 8.88 5.05 0.00 2.89 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 87 V 8.47 4.88 2.35 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 0.44 0.00 0.00 1.25 0.00 0.00 88 W 9.05 4.74 0.00 3.40 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 89 N 8.77 4.75 0.00 2.72 2.91 0.00 0.00 6.98 7.27 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 90 N 8.95 4.35 0.00 2.84 2.75 0.00 0.00 6.21 7.13 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 91 K 8.38 4.50 0.00 2.01 1.76 0.00 1.64 0.00 0.00 1.93 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.45 7.81 92 T 8.07 4.70 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 1.14 0.00 0.00 93 P 0.00 4.43 0.00 1.94 1.90 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 94 N 8.71 5.40 0.00 3.15 3.18 0.00 0.00 7.64 7.57 0.00 0.00 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 S 9.11 4.99 0.00 4.13 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 0.00 96 I 8.54 4.53 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.69 0.93 0.00 0.00 97 A 8.62 4.17 -0.69 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 98 A 7.30 4.65 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 99 I 8.25 4.91 1.88 0.00 0.00 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 1.25 1.15 0.93 0.00 0.00 100 E 9.24 4.71 0.00 2.01 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 101 L 8.52 5.10 0.00 1.55 1.57 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.10 4.10 0.00 3.83 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 * Residues marked with a * may have inaccurate shift predictions.