NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3730 8.3049 120.3329 54.6873 34.1126 175.3517 2 V 4.0366 7.0500 109.2822 58.5252 35.4605 172.9961 3 N 4.3326 8.8816 123.8104 53.3605 40.0827 173.4643 4 V 4.5190 8.0622 124.7759 60.1453 34.0229 173.1692 5 P 4.7165 0.0000 0.0000 62.4712 31.8648 176.2611 6 K 4.2720 8.8035 121.7424 57.9372 33.6885 175.7539 7 T 4.7993 7.9038 116.0660 61.7585 70.2623 173.3276 8 K 4.8586 9.2367 127.7272 54.2976 36.6397 174.4432 9 K 5.1332 8.5344 122.2264 55.8710 34.1215 175.5311 10 T 4.5103 9.0470 117.8787 60.6330 71.4898 171.8305 11 Y 4.5445 8.4485 126.0177 58.0872 39.4194 174.7633 12 C 4.5087 6.7820 123.2851 58.4785 29.8686 173.8502 13 K 4.1890 8.5972 123.5891 59.5326 32.3038 176.4757 14 N 3.9778 7.0048 115.5744 51.6568 39.7057 175.0292 15 K 4.5791 8.4755 120.4036 56.2671 32.3555 177.0318 16 E 4.3867 7.9572 117.3205 56.4685 30.1931 174.8410 17 C 4.5415 7.2194 114.0418 57.7750 31.3950 174.2220 18 R 3.5316 7.5916 116.7885 56.2304 28.2731 175.7168 19 K 4.5859 7.0090 114.8319 57.0018 36.3462 173.7481 20 H 4.7938 8.8687 120.8517 56.7776 30.4145 173.9684 21 T 4.5423 8.9424 118.6689 60.8128 71.6746 171.9575 22 L 4.6391 8.3880 127.4710 55.7228 43.3774 175.3490 23 H 5.0224 10.0503 123.2338 53.9953 33.7297 172.1015 24 K 4.9450 8.7007 124.0366 54.7132 33.8075 175.2476 25 V 4.2937 8.8913 129.3440 62.9294 32.3655 175.2357 26 T 4.7555 8.8519 121.7477 60.3970 71.1920 172.8118 27 Q 4.8349 8.7033 127.0003 55.7859 29.6403 174.9466 28 Y 4.6439 8.5026 123.6800 55.8397 41.2882 174.6405 29 K 4.7735 8.2366 124.5998 54.7101 36.1577 174.4379 30 K 4.1881 8.8206 119.4865 57.7233 34.2174 176.7899 31 G 3.8044 8.2198 102.9617 44.0525 0.0000 171.7724 32 K 4.6215 7.8336 118.4983 54.9735 34.2637 175.5612 33 D 4.5149 7.6630 121.2376 54.4424 44.3339 175.0756 34 S 4.5535 8.6743 115.3839 58.1510 64.8215 175.6556 35 L 4.0642 9.1328 121.7617 55.6415 42.2182 173.9912 36 S 4.1912 7.9636 112.6844 59.8032 62.1387 173.2456 37 A 4.3554 7.8614 129.4543 51.7194 23.6070 176.6469 38 Q 4.1489 8.3073 111.2428 59.8504 28.2875 178.9462 39 G 3.5909 7.9849 106.4886 47.3192 0.0000 175.2815 40 K 4.1444 7.8100 121.2505 59.5559 32.3797 178.9447 41 R 4.0640 8.1106 117.8268 59.5996 29.9782 179.0568 42 R 3.9495 8.3242 117.7745 59.3656 29.8592 178.4338 43 Y 4.0235 7.8965 118.1208 60.7855 38.8626 177.7253 44 D 4.5078 8.1346 117.9151 57.3095 41.3169 178.1139 45 R 4.3513 8.0775 115.0247 57.3181 30.6760 179.4524 46 K 4.7995 8.1535 120.2741 60.1559 33.0021 177.4071 47 Q 3.2559 8.8984 120.0624 56.9567 27.5229 173.0466 48 S 4.6616 9.4404 108.5135 58.1742 61.9963 171.2689 49 G 3.7636 8.3812 104.5330 45.3239 0.0000 173.6486 50 Y 4.0932 8.0151 118.8490 57.0021 37.7822 176.8506 51 G 3.5645 9.0335 115.3327 47.8069 0.0000 174.7880 52 G 4.0264 8.0200 108.8350 46.5541 0.0000 175.1757 53 Q 4.6380 8.8528 118.5440 56.4707 28.1458 176.3339 54 T 4.1396 7.4778 113.8235 63.1806 68.2619 174.0200 55 K 4.3009 7.6399 121.7837 54.9709 31.2209 173.7855 56 P 4.9983 0.0000 0.0000 62.0188 32.2558 177.4717 57 V 3.6532 7.9115 114.0907 63.8044 31.6804 176.8464 58 F 5.0984 7.3566 116.3464 55.9481 40.5961 175.0275 59 H 4.6717 8.5778 123.6242 54.9261 30.6513 174.8683 60 K 4.0064 7.9347 122.0490 56.7928 32.5747 177.0559 61 K 4.5652 8.6403 122.6190 56.3025 33.0861 175.4019 62 A 4.7255 8.1083 121.9150 51.1389 20.9739 176.5366 63 K 4.7570 8.5273 121.4862 55.0964 36.0571 176.3792 64 T 4.5397 8.4986 109.0219 61.6580 69.6317 173.9815 65 T 4.5822 7.7260 118.4865 62.3746 71.9147 173.3792 66 K 4.8689 8.3779 128.2450 55.1724 35.5759 175.0174 67 K 5.4247 8.7033 119.8193 53.7634 36.4513 176.4066 68 I 4.0191 8.3895 114.4888 61.8270 38.6335 176.7639 69 V 4.4750 7.5130 113.1762 60.7085 32.4716 173.8171 70 L 5.3351 7.4707 118.4506 52.7611 46.2224 178.0974 71 K 4.5840 8.6921 119.3928 55.4216 36.0723 174.9270 72 L 4.9366 8.8729 124.9390 53.2098 43.8787 175.2976 73 Q 3.8648 8.9795 124.5061 53.5190 30.7953 175.0360 74 C 4.2891 8.5819 125.2096 58.9357 32.6713 174.0400 75 Q 4.5285 7.5144 127.5699 53.4950 27.0911 175.1471 76 S 4.7100 7.3290 110.3870 58.4882 65.7848 175.7133 77 C 4.6335 8.0699 110.1255 57.6939 33.7796 173.4643 78 K 3.9354 7.4638 121.0963 58.2134 30.3797 173.4242 79 H 4.5085 7.8602 115.6097 56.6768 31.9438 170.8480 80 Y 3.9099 8.3036 122.4984 56.3608 39.3863 169.2428 81 S 4.7021 8.2733 117.8461 56.4479 66.5996 173.9546 82 Q 4.5601 8.4917 122.2735 56.3308 29.2277 175.4052 83 H 5.0682 8.3231 117.2412 53.3650 31.0825 173.1934 84 P 4.5164 0.0000 0.0000 61.8750 32.1133 176.1539 85 I 3.6303 8.1218 119.5279 62.5117 37.0407 175.4342 86 K 4.5614 8.3041 122.5017 55.5329 37.1798 174.4088 87 R 4.7469 8.4738 122.0600 55.8382 30.4946 174.4599 88 C 4.8666 8.5854 127.6739 59.1650 32.0000 172.9801 89 K 4.1239 8.8686 118.3940 58.9015 33.8886 178.1038 90 H 4.5926 8.4676 112.6686 55.7644 29.7597 173.2267 91 F 4.6361 7.4501 124.4295 57.9026 41.6188 172.6140 92 E 4.6254 8.0017 127.2662 55.0815 31.0861 174.7999 93 I 4.4593 7.5429 120.8109 60.6480 40.9144 173.0752 94 G 3.9838 8.6306 113.2705 45.1406 0.0000 174.5636 95 G 4.1027 8.9778 108.4604 44.4689 0.0000 175.1436 96 D 3.8985 9.3397 118.7295 55.5059 39.1778 172.3265 97 K 4.2416 10.3373 117.0374 57.4573 28.4344 174.8016 98 K 4.6600 7.5100 120.3057 55.1658 37.3319 175.6910 99 G 3.6222 8.1608 105.2291 45.9020 0.0000 174.1359 100 K 3.9365 8.1278 119.4884 56.2436 32.8439 175.5889 101 G 4.1392 8.5425 115.3047 44.0061 0.0000 171.8830 102 T 4.6709 8.3020 118.9683 60.8605 70.9793 173.2731 *103 S 4.7604 8.6023 121.6139 56.8074 65.6712 172.8130 *104 L 4.6494 8.9211 126.1816 54.8406 43.3788 174.5243 *105 F 4.4430 7.8461 120.7632 56.4918 39.0159 176.2995 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 M 8.30 4.37 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 2 V 7.05 4.04 1.74 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 0.40 0.00 0.00 -0.21 0.00 0.00 3 N 8.88 4.33 0.00 2.76 2.66 0.00 0.00 6.59 7.71 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 4 V 8.06 4.52 2.23 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 1.05 0.00 0.00 0.91 0.00 0.00 5 P 0.00 4.72 0.00 2.16 2.03 0.00 3.81 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 2.05 2.06 0.00 6 K 8.80 4.27 0.00 1.87 1.81 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.57 7.81 7 T 7.90 4.80 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 1.22 0.00 0.00 8 K 9.24 4.86 0.00 1.81 1.66 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.40 7.81 9 K 8.53 5.13 0.00 1.92 1.87 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.60 7.81 10 T 9.05 4.51 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 1.07 0.00 0.00 11 Y 8.45 4.54 0.00 2.92 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 12 C 6.78 4.51 0.00 2.69 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 13 K 8.60 4.19 0.00 1.71 1.79 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.42 7.81 14 N 7.00 3.98 0.00 3.05 2.65 0.00 0.00 6.88 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 15 K 8.48 4.58 0.00 1.69 1.77 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.38 7.81 16 E 7.96 4.39 0.00 1.91 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 2.06 1.92 0.00 17 C 7.22 4.54 0.00 2.81 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 18 R 7.59 3.53 0.00 2.12 2.16 0.00 3.14 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 19 K 7.01 4.59 0.00 1.94 2.02 0.00 1.53 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.45 7.81 20 H 8.87 4.79 0.00 3.38 3.29 0.00 5.78 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 21 T 8.94 4.54 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 22 L 8.39 4.64 0.00 1.83 1.51 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 23 H 10.05 5.02 0.00 3.02 3.12 0.00 5.83 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 24 K 8.70 4.94 0.00 1.77 1.73 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.44 7.81 25 V 8.89 4.29 2.14 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 0.80 0.00 0.00 1.06 0.00 0.00 26 T 8.85 4.76 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 1.34 0.00 0.00 27 Q 8.70 4.83 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.47 0.00 0.00 0.00 0.00 0.00 2.33 2.01 0.00 28 Y 8.50 4.64 0.00 2.85 2.81 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 29 K 8.24 4.77 0.00 1.67 1.59 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.34 7.81 30 K 8.82 4.19 0.00 1.75 1.89 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.42 7.81 31 G 8.22 3.80 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 0.00 0.00 0.00 32 K 7.83 4.62 0.00 1.71 1.68 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.43 7.81 33 D 7.66 4.51 0.00 2.64 2.49 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 34 S 8.67 4.55 0.00 3.75 3.76 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 35 L 9.13 4.06 0.00 1.63 1.95 0.89 0.74 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 36 S 7.96 4.19 0.00 3.89 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 37 A 7.86 4.36 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 38 Q 8.31 4.15 0.00 2.26 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 39 G 7.98 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 40 K 7.81 4.14 0.00 2.03 1.83 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.43 7.81 41 R 8.11 4.06 0.00 2.00 2.00 0.00 3.19 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 42 R 8.32 3.95 0.00 1.85 2.00 0.00 3.46 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 1.87 1.79 0.00 43 Y 7.90 4.02 0.00 2.97 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 44 D 8.13 4.51 0.00 2.73 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 45 R 8.08 4.35 0.00 1.97 1.96 0.00 3.20 0.00 0.00 3.27 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 46 K 8.15 4.80 0.00 1.98 2.10 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.52 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.44 1.41 7.81 47 Q 8.90 3.26 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 48 S 9.44 4.66 0.00 4.00 4.30 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 49 G 8.38 3.76 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 0.00 0.00 0.00 50 Y 8.02 4.09 0.00 3.23 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 51 G 9.03 3.56 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 0.00 0.00 0.00 52 G 8.02 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 53 Q 8.85 4.64 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 54 T 7.48 4.14 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 1.20 0.00 0.00 55 K 7.64 4.30 0.00 1.70 1.89 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.23 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.39 1.26 7.81 56 P 0.00 5.00 0.00 2.04 2.01 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.05 0.00 57 V 7.91 3.65 1.77 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 0.61 0.00 0.00 0.24 0.00 0.00 58 F 7.36 5.10 0.00 3.08 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 59 H 8.58 4.67 0.00 3.11 3.27 0.00 5.93 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.93 4.01 0.00 1.76 1.60 0.00 1.34 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.12 1.20 7.81 61 K 8.64 4.57 0.00 1.93 1.98 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.44 7.81 62 A 8.11 4.73 1.24 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 0.00 0.00 0.00 63 K 8.53 4.76 0.00 1.69 1.68 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.47 7.81 64 T 8.50 4.54 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 1.23 0.00 0.00 65 T 7.73 4.58 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 1.26 0.00 0.00 66 K 8.38 4.87 0.00 1.72 1.79 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.44 7.81 67 K 8.70 5.42 0.00 1.60 1.70 0.00 1.83 0.00 0.00 0.74 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.27 7.81 68 I 8.39 4.02 1.98 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 1.47 0.57 1.08 0.00 0.00 69 V 7.51 4.48 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 0.95 0.00 0.00 0.52 0.00 0.00 70 L 7.47 5.34 0.00 1.45 1.48 1.03 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.69 4.58 0.00 1.89 2.10 0.00 1.10 0.00 0.00 1.60 0.00 0.00 2.38 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.51 7.81 72 L 8.87 4.94 0.00 1.76 1.65 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.98 3.86 0.00 1.59 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 1.42 2.10 0.00 74 C 8.58 4.29 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 75 Q 7.51 4.53 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 76 S 7.33 4.71 0.00 3.74 3.76 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 77 C 8.07 4.63 0.00 3.13 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 78 K 7.46 3.94 0.00 1.90 1.79 0.00 1.91 0.00 0.00 1.83 0.00 0.00 2.73 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.56 7.81 79 H 7.86 4.51 0.00 3.22 3.20 0.00 5.91 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 80 Y 8.30 3.91 0.00 3.40 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 81 S 8.27 4.70 0.00 3.77 3.71 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 82 Q 8.49 4.56 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 83 H 8.32 5.07 0.00 3.16 3.09 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.52 0.00 2.18 2.06 0.00 3.82 0.00 0.00 3.71 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 85 I 8.12 3.63 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 1.43 0.54 0.93 0.00 0.00 86 K 8.30 4.56 0.00 1.72 1.68 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.50 7.81 87 R 8.47 4.75 0.00 1.81 1.86 0.00 3.24 0.00 0.00 3.47 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 88 C 8.59 4.87 0.00 3.07 2.81 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 89 K 8.87 4.12 0.00 1.71 1.81 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.37 7.81 90 H 8.47 4.59 0.00 3.40 3.42 0.00 6.01 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 7.45 4.64 0.00 3.12 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 92 E 8.00 4.63 0.00 2.05 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 2.22 2.12 0.00 93 I 7.54 4.46 2.13 0.00 0.00 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 1.43 0.60 1.04 0.00 0.00 94 G 8.63 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 95 G 8.98 4.10 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 0.00 96 D 9.34 3.90 0.00 3.21 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 97 K 10.34 4.24 0.00 1.88 2.18 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.56 7.81 98 K 7.51 4.66 0.00 1.65 1.81 0.00 1.67 0.00 0.00 2.37 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.39 7.81 99 G 8.16 3.62 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 0.00 100 K 8.13 3.94 0.00 1.72 1.75 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.38 7.81 101 G 8.54 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 0.00 102 T 8.30 4.67 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 *103 S 8.60 4.76 0.00 3.61 3.57 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 0.00 0.00 0.00 0.00 *104 L 8.92 4.65 0.00 1.61 1.55 0.92 0.67 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 *105 F 7.85 4.44 0.00 2.24 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 * Residues marked with a * may have inaccurate shift predictions.