NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8474 8.3549 109.7367 45.5608 0.0000 175.3975 *2 E 4.1697 8.5909 118.0056 55.2996 30.6566 175.8512 3 F 4.1723 8.4279 120.1274 58.7621 40.2180 174.2372 4 L 4.1035 7.3130 129.5897 53.2123 44.1982 174.4261 *6 K 3.9734 8.3033 117.5163 56.5093 32.9058 175.6199 7 I 4.4057 8.0891 126.4379 59.8443 38.9468 175.5983 8 S 4.2324 8.7645 120.5667 60.4438 62.5702 173.2516 9 H 4.5379 7.3787 111.3084 54.7180 30.4458 172.4329 10 L 4.2609 8.3759 122.1055 54.2005 41.9610 175.5128 11 D 4.6733 8.7274 127.0001 57.4221 42.2698 175.1652 12 H 5.2867 7.8863 110.1652 55.6203 31.3999 172.3868 13 L 4.8732 8.3921 117.9115 54.2815 44.4620 174.8564 14 V 4.7388 8.3703 119.5048 61.1936 33.2944 174.3066 15 L 4.6595 8.8797 130.8917 53.6140 44.1430 175.1252 16 T 4.8413 8.4935 123.7651 63.1851 69.7790 174.3562 17 V 4.5645 8.8324 119.3583 59.2087 35.3544 177.0002 18 A 3.8889 9.0533 125.9723 55.0290 18.6371 178.6041 19 D 4.6632 7.7808 115.6682 52.1616 43.7777 175.4750 20 I 3.7605 8.6203 129.2653 64.2230 37.2775 176.6582 21 P 4.3546 0.0000 0.0000 65.8644 31.1841 178.7622 22 T 3.9558 8.2265 114.5101 67.0011 68.3559 176.8551 23 T 4.1215 8.1353 117.8183 66.8006 68.5331 176.8756 24 T 3.9926 8.5060 112.1720 64.9584 68.8192 175.8715 25 N 4.4890 8.3715 120.3711 56.1904 38.9584 176.4534 26 F 4.0591 8.4396 121.8476 61.7879 39.6612 176.8401 27 Y 4.2052 8.6972 116.3028 60.7220 37.6690 178.1748 28 E 3.9879 8.4519 119.7913 59.4304 29.4388 179.5403 29 K 3.9224 7.8131 117.0198 59.5245 32.2672 178.9406 30 V 3.4596 7.6802 117.8935 64.9752 31.4033 176.5732 31 L 4.3951 7.5343 115.7951 53.4117 42.2056 174.9625 32 G 3.5285 7.6551 111.6844 45.0733 0.0000 171.7041 *34 K 4.1209 7.9612 124.5138 55.9137 33.8649 174.0494 35 A 4.7583 8.7559 129.8777 52.0142 19.1884 176.7624 36 V 4.5505 8.9693 115.9228 59.5392 35.7671 174.5572 37 S 5.4131 8.7179 118.5490 56.8847 63.8093 173.0613 38 F 4.8367 8.5986 121.0319 55.6174 41.3437 175.3123 39 G 3.5234 8.8646 107.5035 47.1297 0.0000 176.4894 40 A 4.1967 8.2658 118.9350 51.4540 17.0982 176.9621 41 G 3.9067 7.7245 108.8070 45.8947 0.0000 171.9359 42 R 4.2086 7.2709 117.3905 55.0917 32.0648 175.8590 43 I 5.2604 8.1442 120.6541 59.6982 40.7717 174.5029 44 A 5.3192 9.1689 126.6253 50.3097 23.5054 174.4759 45 L 5.1174 9.1150 119.0535 53.1375 44.3472 175.8112 46 E 4.9828 9.1598 124.7529 54.9270 31.2239 176.0416 47 F 4.8793 7.9696 118.1205 56.2039 41.8486 174.4749 48 G 3.6382 8.3897 113.8016 47.4940 0.0000 173.4372 49 H 4.7505 8.7725 120.3291 55.1498 29.2129 173.1034 50 Q 4.8146 7.1969 120.2647 54.4682 32.6505 173.9689 51 K 4.7248 7.8508 116.5039 56.7645 36.7109 174.4742 52 I 4.9884 8.8305 121.8307 59.6556 39.7136 175.0597 53 N 5.0437 9.1159 125.1058 52.8473 40.0605 174.0521 54 L 5.2459 8.6775 122.7083 53.4254 43.9693 175.6202 55 H 5.1817 8.8912 120.1990 53.9857 32.2597 172.8380 56 Q 4.6409 8.5774 123.8697 54.8544 30.3757 174.7860 57 L 4.2118 8.5811 129.3406 57.0471 42.3758 177.2542 58 G 4.0266 10.3942 115.3572 45.4288 0.0000 172.7075 59 N 4.8424 7.9896 118.4298 52.8268 39.2947 174.0432 60 E 4.0947 8.0135 115.5319 55.7192 30.7646 176.3070 61 F 4.8055 8.1044 118.4856 56.0385 41.0240 175.3767 62 E 4.7575 8.5307 122.6889 53.9136 31.4551 174.4809 63 P 4.6223 0.0000 0.0000 62.4752 32.4092 174.9616 64 K 4.5734 8.0405 116.6236 55.1743 35.5020 175.3617 65 A 4.0966 8.5039 121.0850 52.5640 18.6988 177.5015 66 Q 4.1377 8.8509 122.1976 58.7391 29.5151 176.8265 67 N 5.0123 7.6029 113.5737 50.7208 38.6036 174.0681 68 V 3.7451 7.5771 112.9060 61.7323 32.7282 176.3353 69 R 4.4669 8.0087 121.3925 55.3335 32.8429 175.0794 70 V 4.0396 7.8115 118.6818 62.0780 32.1862 176.1153 71 G 3.9415 9.0314 110.1268 46.8211 0.0000 174.2113 72 S 4.5179 8.1272 111.2219 57.6603 63.9848 173.4746 73 A 4.6655 8.5916 124.2007 51.1496 21.4421 176.5130 74 D 4.9603 8.4080 119.3816 53.2513 42.9768 174.0476 75 L 4.6525 9.0578 125.9441 52.5795 45.6022 175.2038 76 C 4.9213 8.2010 122.3215 57.6152 33.7466 172.7468 77 F 4.8974 9.0408 125.4356 55.7692 41.4690 174.7687 78 I 4.8107 8.4619 123.2854 60.6521 38.2265 174.9881 79 T 4.7409 8.7069 121.3204 60.6324 69.3931 173.7783 80 D 4.7181 8.8058 125.4615 54.8440 41.7399 177.1526 81 T 4.1494 7.5093 109.6722 60.6560 69.7811 175.0630 82 V 3.6783 8.1763 122.0624 62.8524 32.4104 176.4929 83 L 4.0903 8.6238 128.1924 58.3689 42.1487 178.7071 84 S 4.1680 7.9864 112.7326 61.6215 63.0993 175.8225 85 D 4.4858 8.0500 121.7564 56.7333 40.5188 178.8628 86 A 4.2863 7.8172 118.3205 52.6634 18.1563 179.0109 *88 K 3.9929 8.0043 123.6214 58.1672 34.0569 177.4462 89 H 4.0125 8.3500 117.0526 59.1771 30.0243 177.1298 90 V 3.4611 7.8978 120.1448 65.9981 31.3228 177.7893 91 E 4.2089 7.8333 119.1023 59.0385 29.1162 178.9694 92 D 4.4615 8.0056 117.7854 56.8605 40.8613 177.8370 93 Q 4.2688 7.4167 116.5161 55.5926 28.7493 176.2809 94 G 3.8058 8.1906 108.5828 45.8796 0.0000 173.5460 95 V 4.2639 7.4083 118.3102 60.9887 33.1672 174.7834 96 T 4.3833 8.3130 123.0280 62.4152 68.8543 175.1826 97 I 4.3112 8.0458 127.8048 60.6550 38.5416 174.6667 *99 E 4.0740 8.4020 120.6220 56.6178 30.2037 173.7309 100 G 4.6518 8.7049 110.2179 42.5570 0.0000 171.3556 101 P 4.9626 0.0000 0.0000 62.6316 32.4379 175.9728 102 V 4.6630 8.6429 114.9536 59.4972 36.5745 174.5678 103 K 4.6190 8.6745 123.1889 56.8766 32.8553 176.5110 104 R 4.7381 9.0114 122.8192 55.3468 35.3068 173.2772 105 T 4.7194 8.5674 115.9362 62.2801 70.0350 175.0502 106 G 4.0548 9.0724 115.0128 43.1346 0.0000 173.9696 107 A 4.0254 8.7310 121.3606 54.6628 18.2865 178.4636 108 Q 4.4898 10.2215 112.4522 55.6079 30.3278 176.4065 109 G 3.7426 7.2606 105.7852 44.6429 0.0000 172.2574 110 A 4.6989 8.3800 125.2517 52.0353 19.2232 177.4457 111 I 4.5125 8.6205 114.3669 59.2933 41.8894 174.0872 112 T 5.0242 8.3570 118.8367 62.0318 70.9687 174.0365 113 S 5.2505 9.0906 121.1402 56.6721 67.6105 172.9004 114 F 5.6074 8.6134 115.8818 55.5306 41.4567 173.1807 115 Y 5.2824 9.1075 117.1535 56.6568 41.3702 174.6585 116 F 5.0385 8.6032 115.8269 56.5128 41.9352 172.7367 117 R 5.0640 8.8081 118.2916 54.8136 32.0858 176.6069 118 D 3.9655 8.4075 122.4902 51.1604 41.2702 175.4704 119 P 4.0972 0.0000 0.0000 65.2182 30.8674 177.2565 120 D 4.5248 8.3989 116.6501 54.1843 41.2220 177.8521 121 G 4.0220 8.1133 107.9431 44.7907 0.0000 173.5411 122 N 4.5308 8.0665 117.2553 53.4301 39.9451 173.5897 123 L 4.6507 8.6872 125.3372 54.3151 43.7743 175.1562 124 I 4.7334 8.4167 127.3252 59.3021 40.0852 174.0112 125 E 4.3931 8.8949 128.2054 54.1028 32.0860 174.4337 126 V 4.6922 7.6279 126.9956 61.3134 33.8331 174.6163 127 S 5.1326 8.8318 122.1435 57.4206 67.9690 172.7245 128 T 4.9378 8.6652 115.3197 60.8887 70.6130 174.1107 129 Y 4.3021 8.7899 122.2526 58.7352 38.7821 176.6274 130 S 4.3290 7.8913 116.6386 58.1956 63.5346 174.0867 131 N 4.5247 8.7617 119.9572 53.8321 38.2280 174.9914 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 0 G 8.35 3.85 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 0.00 0.00 0.00 *2 E 8.59 4.17 0.00 2.02 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 2.23 2.26 0.00 3 F 8.43 4.17 0.00 2.91 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 4 L 7.31 4.10 0.00 1.42 1.27 0.82 0.50 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 *6 K 8.30 3.97 0.00 1.66 1.68 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.42 7.81 7 I 8.09 4.41 1.86 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 1.30 0.99 0.92 0.00 0.00 8 S 8.76 4.23 0.00 3.86 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 9 H 7.38 4.54 0.00 3.26 3.21 0.00 5.57 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.38 4.26 0.00 1.62 1.67 0.93 1.20 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 11 D 8.73 4.67 0.00 2.77 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 12 H 7.89 5.29 0.00 3.24 3.16 0.00 5.14 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.39 4.87 0.00 1.74 1.77 0.96 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.37 4.74 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 0.54 0.00 0.00 0.94 0.00 0.00 15 L 8.88 4.66 0.00 1.77 1.50 0.95 0.62 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 16 T 8.49 4.84 4.27 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 1.24 0.00 0.00 17 V 8.83 4.56 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 0.88 0.00 0.00 1.04 0.00 0.00 18 A 9.05 3.89 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 19 D 7.78 4.66 0.00 2.76 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 20 I 8.62 3.76 1.91 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 1.58 0.44 0.97 0.00 0.00 21 P 0.00 4.35 0.00 2.19 2.14 0.00 3.91 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 22 T 8.23 3.96 4.43 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 1.26 0.00 0.00 23 T 8.14 4.12 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 1.41 0.00 0.00 24 T 8.51 3.99 4.33 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 1.37 0.00 0.00 25 N 8.37 4.49 0.00 2.91 2.96 0.00 0.00 6.91 7.10 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 26 F 8.44 4.06 0.00 3.22 3.21 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 27 Y 8.70 4.21 0.00 3.21 3.06 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 28 E 8.45 3.99 0.00 2.24 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 2.39 2.58 0.00 29 K 7.81 3.92 0.00 1.70 1.76 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.53 7.81 30 V 7.68 3.46 1.14 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 0.16 0.00 0.00 0.03 0.00 0.00 31 L 7.53 4.40 0.00 1.83 1.53 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.66 3.53 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 *34 K 7.96 4.12 0.00 1.90 1.78 0.00 1.73 0.00 0.00 1.99 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.48 7.81 35 A 8.76 4.76 1.35 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 0.00 0.00 36 V 8.97 4.55 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 0.80 0.00 0.00 1.08 0.00 0.00 37 S 8.72 5.41 0.00 3.89 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 38 F 8.60 4.84 0.00 3.06 3.03 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 39 G 8.86 3.52 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 0.00 0.00 0.00 40 A 8.27 4.20 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 41 G 7.72 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 0.00 0.00 0.00 42 R 7.27 4.21 0.00 0.67 0.93 0.00 2.51 0.00 0.00 2.69 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.93 0.00 43 I 8.14 5.26 1.93 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 1.28 1.22 0.98 0.00 0.00 44 A 9.17 5.32 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 45 L 9.12 5.12 0.00 1.54 1.63 0.72 1.15 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 46 E 9.16 4.98 0.00 1.82 1.80 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 2.20 2.22 0.00 47 F 7.97 4.88 0.00 3.14 3.03 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 48 G 8.39 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 49 H 8.77 4.75 0.00 3.09 3.23 0.00 5.64 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.20 4.81 0.00 1.51 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.55 0.00 0.00 0.00 0.00 0.00 2.49 2.34 0.00 51 K 7.85 4.72 0.00 1.87 1.68 0.00 1.03 0.00 0.00 1.39 0.00 0.00 2.46 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.18 1.31 7.81 52 I 8.83 4.99 1.92 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 1.43 1.10 0.90 0.00 0.00 53 N 9.12 5.04 0.00 2.73 2.86 0.00 0.00 6.43 6.31 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 54 L 8.68 5.25 0.00 1.61 1.64 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.89 5.18 0.00 3.13 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.58 4.64 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.04 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 57 L 8.58 4.21 0.00 1.69 1.59 0.96 1.24 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 58 G 10.39 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 59 N 7.99 4.84 0.00 2.47 2.59 0.00 0.00 7.18 7.25 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 60 E 8.01 4.09 0.00 1.95 1.94 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 2.35 2.53 0.00 61 F 8.10 4.81 0.00 2.94 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 62 E 8.53 4.76 0.00 1.99 1.89 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 2.24 2.22 0.00 63 P 0.00 4.62 0.00 2.21 2.08 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 64 K 8.04 4.57 0.00 1.90 2.16 0.00 1.66 0.00 0.00 1.97 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.47 7.81 65 A 8.50 4.10 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 66 Q 8.85 4.14 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.22 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 67 N 7.60 5.01 0.00 2.71 2.71 0.00 0.00 6.91 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 68 V 7.58 3.75 2.10 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 0.69 0.00 0.00 0.94 0.00 0.00 69 R 8.01 4.47 0.00 1.71 1.76 0.00 3.29 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 70 V 7.81 4.04 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 1.05 0.00 0.00 0.93 0.00 0.00 71 G 9.03 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 0.00 0.00 0.00 72 S 8.13 4.52 0.00 3.98 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 73 A 8.59 4.67 1.29 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 74 D 8.41 4.96 0.00 2.63 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 75 L 9.06 4.65 0.00 1.34 0.84 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.20 4.92 0.00 2.90 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 77 F 9.04 4.90 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 78 I 8.46 4.81 2.00 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 1.34 1.02 1.06 0.00 0.00 79 T 8.71 4.74 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 1.31 0.00 0.00 80 D 8.81 4.72 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 81 T 7.51 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 82 V 8.18 3.68 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 1.03 0.00 0.00 0.94 0.00 0.00 83 L 8.62 4.09 0.00 1.73 1.74 1.22 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.99 4.17 0.00 4.01 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 85 D 8.05 4.49 0.00 2.85 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 86 A 7.82 4.29 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 *88 K 8.00 3.99 0.00 1.87 1.96 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.45 7.81 89 H 8.35 4.01 0.00 3.11 3.52 0.00 6.01 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.90 3.46 1.92 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 0.36 0.00 0.00 0.88 0.00 0.00 91 E 7.83 4.21 0.00 2.07 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 2.34 2.15 0.00 92 D 8.01 4.46 0.00 2.67 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 93 Q 7.42 4.27 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.20 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 94 G 8.19 3.81 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 0.00 95 V 7.41 4.26 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 0.95 0.00 0.00 0.89 0.00 0.00 96 T 8.31 4.38 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 1.26 0.00 0.00 97 I 8.05 4.31 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.64 1.15 0.00 0.00 *99 E 8.40 4.07 0.00 2.04 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 2.42 2.37 0.00 100 G 8.70 4.65 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 0.00 101 P 0.00 4.96 0.00 2.13 2.11 0.00 3.75 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 2.00 2.00 0.00 102 V 8.64 4.66 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 0.76 0.00 0.00 1.19 0.00 0.00 103 K 8.67 4.62 0.00 1.66 1.76 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.43 7.81 104 R 9.01 4.74 0.00 1.62 1.81 0.00 3.37 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 105 T 8.57 4.72 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 0.00 106 G 9.07 4.05 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 0.00 0.00 0.00 107 A 8.73 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 0.00 108 Q 10.22 4.49 0.00 1.53 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 109 G 7.26 3.74 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 0.00 0.00 0.00 110 A 8.38 4.70 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 0.00 111 I 8.62 4.51 1.56 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.84 -0.12 0.00 0.00 112 T 8.36 5.02 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 1.25 0.00 0.00 113 S 9.09 5.25 0.00 3.55 3.15 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 0.00 114 F 8.61 5.61 0.00 3.29 3.09 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 0.00 0.00 0.00 115 Y 9.11 5.28 0.00 2.82 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 0.00 116 F 8.60 5.04 0.00 3.18 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 0.00 117 R 8.81 5.06 0.00 1.79 1.90 0.00 3.37 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 118 D 8.41 3.97 0.00 2.09 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 0.00 119 P 0.00 4.10 0.00 1.95 2.06 0.00 3.11 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 1.80 1.61 0.00 120 D 8.40 4.52 0.00 2.80 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 0.00 121 G 8.11 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 0.00 122 N 8.07 4.53 0.00 3.05 2.80 0.00 0.00 6.67 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 0.00 123 L 8.69 4.65 0.00 1.78 1.53 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.42 4.73 0.56 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.75 0.74 0.00 0.00 125 E 8.89 4.39 0.00 1.60 1.56 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 1.67 1.47 0.00 126 V 7.63 4.69 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 0.00 0.00 0.91 0.00 0.00 0.92 0.00 0.00 127 S 8.83 5.13 0.00 3.60 3.51 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 0.00 128 T 8.67 4.94 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 1.29 0.00 0.00 129 Y 8.79 4.30 0.00 3.03 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 0.00 130 S 7.89 4.33 0.00 3.92 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 0.00 131 N 8.76 4.52 0.00 2.73 2.76 0.00 0.00 6.83 7.56 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 * Residues marked with a * may have inaccurate shift predictions.