NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.4221 0.0000 0.0000 62.5159 32.9232 177.9075 4 G 3.5246 8.9537 115.3936 46.9309 0.0000 169.7416 5 V 3.5975 8.5905 121.4901 66.5557 32.0660 176.1585 6 T 3.9036 8.1781 114.7775 67.1394 68.2096 175.9511 7 D 4.4062 7.7854 119.4149 57.4816 40.6095 179.0997 8 R 4.1098 7.7692 117.5512 59.0276 30.1659 178.7227 9 I 4.0945 7.9034 119.1210 64.5774 37.4978 178.2730 10 G 3.8520 8.0685 106.3233 47.7400 0.0000 175.7788 11 Q 3.9622 8.0863 118.5202 56.7047 28.5798 177.8631 *13 I 4.3792 7.6125 119.5910 61.0680 39.2868 177.0496 14 L 4.2784 8.0147 119.9686 58.1561 41.8128 180.1482 15 E 4.4506 8.5878 116.0956 56.9181 29.0101 178.6511 *17 F 5.0720 8.2026 123.2337 58.5464 41.4398 177.1703 18 R 3.9534 8.1589 119.1811 58.6344 30.1371 178.9342 19 T 3.5553 7.5065 107.6725 62.6089 69.2673 173.6132 20 G 3.2645 6.6594 107.1684 45.6293 0.0000 172.3193 *22 C 4.1390 7.4497 115.3904 59.5385 30.3756 174.4250 23 L 4.3557 8.5225 123.7629 53.3656 43.7088 175.1702 24 F 5.0897 8.6324 126.0711 56.4432 40.9607 175.2104 25 S 5.1103 9.2592 117.2860 56.5189 66.5319 172.8966 26 V 4.6655 8.6475 122.1266 61.0338 34.4779 174.0341 27 R 5.0415 8.5894 127.3724 54.6607 32.3019 175.2040 28 S 4.6044 8.7900 121.8466 56.3214 64.6832 173.1461 29 P 4.4417 0.0000 0.0000 64.6422 30.9038 178.3155 30 G 4.1366 7.8601 104.6632 46.2369 0.0000 173.0955 31 G 4.2864 8.0392 108.4344 43.8837 0.0000 172.5372 32 V 4.9640 8.0476 118.4612 59.8983 34.4893 174.0645 33 A 4.7927 9.0621 126.0489 50.2618 21.6792 175.2938 34 E 4.8720 8.5620 119.7026 54.3920 32.8514 175.2605 35 L 4.2511 8.7212 124.4733 52.8038 44.6254 175.2937 36 Y 5.0836 8.9859 119.9074 56.7065 41.6676 174.1627 37 G 4.3404 8.7494 106.7354 44.3929 0.0000 174.3460 38 G 3.9045 8.1515 104.7401 44.2796 0.0000 172.2504 39 E 4.4892 7.9613 118.0802 54.2789 32.7923 174.9586 40 A 4.7217 8.7666 126.3595 50.7790 21.1388 176.5853 41 R 4.2768 8.2746 118.7585 58.0030 31.2822 177.4425 42 K 4.4623 7.6086 120.0002 55.0608 35.5564 174.7579 43 V 4.7947 8.3598 126.8176 61.1809 34.6305 174.1970 44 E 4.6915 9.0316 126.8533 54.8544 33.3989 173.6012 45 I 4.9996 8.4226 126.8528 59.8847 40.2847 175.3194 46 T 4.4205 8.8534 123.4710 62.0406 71.8712 176.5140 47 G 3.9780 8.6459 118.7841 47.0857 0.0000 172.6466 48 T 4.4787 8.8280 112.2458 61.1357 69.2883 173.4090 49 S 5.3047 8.1486 118.7311 57.2265 65.5745 172.8727 50 L 5.1471 8.5560 125.2940 53.5815 45.3119 175.1716 51 T 5.0267 9.0945 121.2204 61.8234 72.8153 172.8206 52 I 4.6021 8.6844 126.5695 59.3763 40.6650 174.1634 53 E 4.7487 8.8216 126.8002 54.5805 32.5466 176.0513 54 R 4.4845 7.9502 123.6819 53.8693 32.9659 176.8419 55 E 3.9369 8.7431 120.3367 59.0039 29.4590 177.1662 56 D 5.0231 7.7182 114.9408 51.9783 40.2371 175.0241 57 W 5.1080 7.4169 114.0158 56.1869 31.0369 172.7623 58 H 5.5613 8.9298 117.1815 54.0507 31.5678 172.6700 59 L 4.8311 9.4259 123.9901 53.5619 44.8373 174.6571 60 H 5.3495 8.8423 122.2395 54.0982 32.0075 172.6146 61 C 4.5795 8.8617 122.5146 57.6582 34.6921 173.6547 62 K 4.8083 8.6522 126.6188 54.4832 30.5945 176.8458 63 L 3.9316 8.6460 124.3834 57.6660 42.0740 179.7139 64 E 3.9990 8.1638 118.0315 58.8062 29.9474 177.2348 65 T 4.1341 8.2844 108.0904 61.9719 69.4071 174.3400 66 V 4.0850 7.6121 123.5032 62.7359 31.3714 174.5465 67 E 4.5320 9.2232 129.9704 57.9644 30.7099 176.3647 68 T 4.7002 7.6847 107.6886 59.8766 72.8793 173.0289 69 V 4.4933 8.1440 123.2394 61.1505 34.0590 174.1719 70 V 4.3005 8.6922 129.5047 61.9519 33.0763 174.5450 71 F 5.3809 8.6754 127.4445 56.4264 40.4785 174.2949 72 D 5.2714 9.4818 124.8578 52.3564 43.2951 174.8805 73 L 5.4069 8.4191 127.1188 52.6814 44.9372 175.2212 74 S 5.0902 8.1142 118.4573 56.8707 65.7752 173.3700 75 P 4.8417 0.0000 0.0000 62.7161 31.8686 176.3785 76 K 4.3507 8.7881 122.7913 55.7883 33.3837 177.2474 77 D 4.4704 8.6678 120.9939 57.6524 40.8416 178.4723 78 N 4.3627 8.0424 113.2472 53.5378 37.2734 174.2574 79 G 3.9246 7.3120 109.1658 47.0090 0.0000 172.5313 80 G 3.8123 8.3647 107.2220 44.1400 0.0000 172.4122 81 I 4.6929 7.9217 119.1496 59.2472 39.6074 176.2032 82 R 4.1989 9.0416 126.5505 55.3193 32.3575 174.4620 *84 A 4.6757 8.2512 120.5466 51.7867 20.4689 175.6160 85 V 4.8917 9.0396 121.0394 61.1998 34.0725 174.6089 86 V 4.6626 8.7212 128.3246 61.1467 34.1552 174.1100 87 F 4.9973 9.0787 127.8010 56.6775 40.2737 175.2547 88 R 5.2439 9.2083 123.4699 54.4468 33.8349 176.0858 89 D 5.3563 8.6648 121.5126 51.3704 41.5813 177.1130 90 K 3.8573 8.5369 117.3875 59.5185 32.3272 177.5625 91 H 4.7586 8.6818 114.9996 55.2448 28.7946 176.1599 92 Q 3.7230 8.4678 117.2698 55.8719 27.0077 173.6127 93 A 4.1012 7.6224 121.9076 51.2928 18.8469 175.5986 94 P 4.8232 0.0000 0.0000 63.0043 31.9763 176.5722 95 V 4.2270 8.7818 116.2777 62.3903 33.0558 175.8452 96 L 4.7378 7.6529 119.9475 54.1247 45.5760 173.6167 97 R 5.2644 9.0006 123.5566 54.6513 34.0645 173.4744 98 A 4.6709 9.4847 128.1869 50.1868 21.2079 174.7941 99 A 4.9344 8.7355 125.0608 50.8863 21.1597 175.9785 100 W 4.7379 8.8724 121.7553 55.4821 31.1061 176.2592 101 L 4.6763 8.2965 122.4601 52.3149 43.4366 175.3241 102 P 4.3294 0.0000 0.0000 65.6085 31.3990 178.3146 103 R 4.0262 8.0568 112.9310 58.4315 29.6742 176.8527 104 L 4.4862 7.8117 120.3493 53.3093 41.5158 174.2347 *106 P 4.2465 0.0000 0.0000 62.7246 32.5422 176.6499 107 E 4.2486 8.6135 117.7650 58.1748 30.0016 176.8494 108 T 4.5813 7.3620 111.9818 59.6065 70.2448 171.1247 109 P 4.5441 0.0000 0.0000 61.8505 32.4640 175.8088 110 S 4.2159 8.5866 112.3646 58.0860 63.3946 173.2701 111 P 4.2990 0.0000 0.0000 65.8141 31.1091 176.9845 112 P 4.2788 0.0000 0.0000 65.7689 31.1244 178.5470 113 E 3.9482 8.2271 117.2925 59.3890 29.3959 179.2701 114 Q 4.0839 8.1013 117.6288 59.0171 28.8746 178.5720 115 F 3.3093 8.3931 121.7055 60.5797 39.2772 176.8020 116 W 3.8384 8.3437 127.7404 60.4360 30.3240 177.6420 117 A 4.0614 8.0796 119.1691 55.1650 17.7822 179.0467 118 F 4.1011 8.1335 119.2209 61.8007 39.4845 177.5798 119 T 3.4600 7.5135 109.1735 64.3460 68.3794 176.0085 120 Q 3.5793 7.7648 122.8021 59.0223 28.7724 178.2924 121 R 3.8910 7.2913 117.1098 58.0233 30.2794 176.6212 122 Y 4.6709 7.9268 114.9375 57.3541 39.7142 177.4756 123 I 3.7931 7.5625 120.7634 64.1145 37.2322 176.8445 124 D 4.5111 7.9558 117.6564 54.3592 39.8106 176.5700 125 L 4.1109 7.8620 121.8802 54.2252 41.8129 177.0352 126 P 4.2641 0.0000 0.0000 62.7818 30.5053 175.9577 *128 V 3.6704 7.6573 117.4366 63.5900 32.6829 174.3875 129 V 4.0780 8.2270 127.8006 61.2379 33.3878 174.2203 130 D 5.0258 8.7643 129.0123 52.8926 40.6528 175.6999 131 A 4.9020 8.6396 131.9856 51.4966 20.0626 175.6392 132 R 4.8965 8.3260 118.8897 56.8045 32.0618 176.7625 133 N 4.7490 9.0902 121.8683 52.2962 38.9770 176.2413 134 R 3.7667 8.9547 125.2019 59.3194 29.7321 178.1535 135 Q 4.1564 8.1398 117.5756 58.8348 28.5036 178.1225 136 L 3.8797 7.7373 117.8186 56.0345 41.7132 177.5506 137 V 3.7589 6.7553 116.9468 63.6313 32.7110 176.0205 138 F 4.5208 7.5841 121.0815 53.8547 38.2889 171.5076 139 P 4.1710 0.0000 0.0000 63.4591 31.2726 177.4147 140 G 3.7471 8.3652 110.4479 46.1308 0.0000 172.5295 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 3 P 0.00 4.42 0.00 2.20 1.90 0.00 3.57 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 2.01 2.09 0.00 4 G 8.95 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 5 V 8.59 3.60 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 1.10 0.00 0.00 0.95 0.00 0.00 6 T 8.18 3.90 4.45 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 1.22 0.00 0.00 7 D 7.79 4.41 0.00 3.03 2.75 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 8 R 7.77 4.11 0.00 2.05 2.20 0.00 3.21 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 9 I 7.90 4.09 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.83 1.03 0.00 0.00 10 G 8.07 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 11 Q 8.09 3.96 0.00 2.35 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.34 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 *13 I 7.61 4.38 1.96 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 1.18 0.77 0.69 0.00 0.00 14 L 8.01 4.28 0.00 2.07 1.84 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.59 4.45 0.00 2.48 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 2.52 2.63 0.00 *17 F 8.20 5.07 0.00 3.09 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 18 R 8.16 3.95 0.00 2.12 1.97 0.00 3.28 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.96 0.00 19 T 7.51 3.56 4.07 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 1.16 0.00 0.00 20 G 6.66 3.26 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 0.00 0.00 0.00 *22 C 7.45 4.14 0.00 2.42 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 0.00 0.00 0.00 0.00 23 L 8.52 4.36 0.00 1.48 1.33 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.63 5.09 0.00 2.77 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 25 S 9.26 5.11 0.00 3.83 3.82 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 0.00 0.00 0.00 26 V 8.65 4.67 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 1.00 0.00 0.00 0.88 0.00 0.00 27 R 8.59 5.04 0.00 1.81 1.78 0.00 3.29 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 28 S 8.79 4.60 0.00 4.04 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 29 P 0.00 4.44 0.00 2.06 2.15 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 30 G 7.86 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 0.00 0.00 0.00 0.00 31 G 8.04 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 32 V 8.05 4.96 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 0.72 0.00 0.00 0.90 0.00 0.00 33 A 9.06 4.79 1.16 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 0.00 0.00 34 E 8.56 4.87 0.00 1.78 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 35 L 8.72 4.25 0.00 0.74 0.13 0.22 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.99 5.08 0.00 2.91 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 37 G 8.75 4.34 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 0.00 38 G 8.15 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 0.00 0.00 0.00 39 E 7.96 4.49 0.00 1.89 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 2.12 2.19 0.00 40 A 8.77 4.72 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 41 R 8.27 4.28 0.00 1.62 1.94 0.00 3.12 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 42 K 7.61 4.46 0.00 1.70 1.46 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.37 7.81 43 V 8.36 4.79 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 0.84 0.00 0.00 0.84 0.00 0.00 44 E 9.03 4.69 0.00 1.97 1.65 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 2.17 2.26 0.00 45 I 8.42 5.00 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 1.33 0.77 0.94 0.00 0.00 46 T 8.85 4.42 4.23 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 1.20 0.00 0.00 47 G 8.65 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 48 T 8.83 4.48 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 49 S 8.15 5.30 0.00 3.85 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 50 L 8.56 5.15 0.00 1.68 1.37 0.86 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 51 T 9.09 5.03 4.16 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 1.00 0.00 0.00 52 I 8.68 4.60 1.61 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.58 -0.09 0.00 0.00 53 E 8.82 4.75 0.00 1.64 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 1.81 1.99 0.00 54 R 7.95 4.48 0.00 0.67 1.42 0.00 3.34 0.00 0.00 2.83 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 0.00 55 E 8.74 3.94 0.00 1.86 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 2.27 2.28 0.00 56 D 7.72 5.02 0.00 2.82 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 57 W 7.42 5.11 0.00 3.52 3.14 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 0.00 58 H 8.93 5.56 0.00 3.06 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 9.43 4.83 0.00 1.67 1.56 0.81 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 60 H 8.84 5.35 0.00 3.01 3.13 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 8.86 4.58 0.00 2.81 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 62 K 8.65 4.81 0.00 1.84 1.73 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.44 7.81 63 L 8.65 3.93 0.00 1.83 1.75 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.16 4.00 0.00 1.92 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 2.29 2.25 0.00 65 T 8.28 4.13 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 66 V 7.61 4.09 2.28 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 0.93 0.00 0.00 1.00 0.00 0.00 67 E 9.22 4.53 0.00 1.96 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 2.25 2.28 0.00 68 T 7.68 4.70 4.17 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 1.18 0.00 0.00 69 V 8.14 4.49 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 0.50 0.00 0.00 0.92 0.00 0.00 70 V 8.69 4.30 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 0.97 0.00 0.00 0.87 0.00 0.00 71 F 8.68 5.38 0.00 2.94 2.78 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 72 D 9.48 5.27 0.00 2.63 2.68 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 73 L 8.42 5.41 0.00 2.03 1.69 0.85 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.11 5.09 0.00 3.88 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 75 P 0.00 4.84 0.00 2.09 2.08 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 76 K 8.79 4.35 0.00 1.72 1.97 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.44 1.38 7.81 77 D 8.67 4.47 0.00 2.73 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 78 N 8.04 4.36 0.00 2.82 2.94 0.00 0.00 6.12 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 79 G 7.31 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 0.00 0.00 0.00 80 G 8.36 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 81 I 7.92 4.69 1.82 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 1.27 0.70 0.83 0.00 0.00 82 R 9.04 4.20 0.00 1.81 1.92 0.00 3.10 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 *84 A 8.25 4.68 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 85 V 9.04 4.89 2.27 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 0.81 0.00 0.00 1.15 0.00 0.00 86 V 8.72 4.66 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 0.96 0.00 0.00 0.96 0.00 0.00 87 F 9.08 5.00 0.00 3.06 3.02 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 88 R 9.21 5.24 0.00 1.70 1.81 0.00 3.10 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 89 D 8.66 5.36 0.00 2.83 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 90 K 8.54 3.86 0.00 1.62 1.82 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.44 7.81 91 H 8.68 4.76 0.00 3.29 3.27 0.00 5.71 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 92 Q 8.47 3.72 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 93 A 7.62 4.10 1.45 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 0.00 0.00 94 P 0.00 4.82 0.00 2.24 2.12 0.00 3.78 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 2.01 2.01 0.00 95 V 8.78 4.23 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 0.73 0.00 0.00 1.03 0.00 0.00 96 L 7.65 4.74 0.00 1.71 1.47 1.07 0.44 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 97 R 9.00 5.26 0.00 1.97 1.73 0.00 3.10 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 98 A 9.48 4.67 1.03 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 99 A 8.74 4.93 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 0.00 100 W 8.87 4.74 0.00 2.93 3.14 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 0.00 101 L 8.30 4.68 0.00 1.67 1.58 1.07 1.09 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 P 0.00 4.33 0.00 2.04 2.15 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 103 R 8.06 4.03 0.00 1.91 2.08 0.00 3.00 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 104 L 7.81 4.49 0.00 1.70 1.68 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *106 P 0.00 4.25 0.00 2.43 2.12 0.00 3.87 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 107 E 8.61 4.25 0.00 1.99 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 0.00 2.31 2.30 0.00 108 T 7.36 4.58 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 0.00 109 P 0.00 4.54 0.00 2.22 2.08 0.00 3.88 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 2.03 1.99 0.00 110 S 8.59 4.22 0.00 3.99 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 0.00 111 P 0.00 4.30 0.00 2.18 2.21 0.00 3.61 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 2.13 2.23 0.00 112 P 0.00 4.28 0.00 2.10 2.10 0.00 3.50 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 2.08 2.15 0.00 113 E 8.23 3.95 0.00 2.15 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 2.05 2.20 0.00 114 Q 8.10 4.08 0.00 2.37 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 115 F 8.39 3.31 0.00 2.71 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 0.00 116 W 8.34 3.84 0.00 3.65 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 0.00 117 A 8.08 4.06 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.13 4.10 0.00 3.21 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 0.00 119 T 7.51 3.46 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 -0.36 0.00 0.00 120 Q 7.76 3.58 0.00 1.89 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 121 R 7.29 3.89 0.00 1.38 1.40 0.00 3.01 0.00 0.00 2.92 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 122 Y 7.93 4.67 0.00 3.27 3.10 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 0.00 123 I 7.56 3.79 1.98 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 1.49 0.56 0.88 0.00 0.00 124 D 7.96 4.51 0.00 2.75 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 0.00 125 L 7.86 4.11 0.00 1.87 1.67 1.05 0.93 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 0.00 126 P 0.00 4.26 0.00 2.16 2.14 0.00 3.80 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 1.99 1.96 0.00 *128 V 7.66 3.67 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 0.06 0.00 0.00 0.63 0.00 0.00 129 V 8.23 4.08 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 0.83 0.00 0.00 0.86 0.00 0.00 130 D 8.76 5.03 0.00 2.71 2.61 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 0.00 131 A 8.64 4.90 1.31 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 0.00 0.00 0.00 132 R 8.33 4.90 0.00 2.07 2.27 0.00 2.93 0.00 0.00 2.95 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 133 N 9.09 4.75 0.00 2.75 2.82 0.00 0.00 6.35 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 0.00 134 R 8.95 3.77 0.00 2.00 1.96 0.00 3.26 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.27 0.00 135 Q 8.14 4.16 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 136 L 7.74 3.88 0.00 1.63 1.68 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 137 V 6.76 3.76 1.16 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 -0.49 0.00 0.00 0.81 0.00 0.00 138 F 7.58 4.52 0.00 2.84 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 P 0.00 4.17 0.00 2.16 2.08 0.00 3.80 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 140 G 8.37 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 * Residues marked with a * may have inaccurate shift predictions.