NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.0404 8.0244 121.4485 61.3705 38.6013 175.2032 3 D 4.4443 8.2344 125.7196 51.6230 40.4819 174.5968 4 A 4.0702 9.0135 130.6559 54.6986 19.6874 179.5999 5 K 4.4497 8.1274 113.8558 58.7577 32.3282 177.6945 6 Q 4.4503 7.8298 116.0119 55.9180 30.0136 175.9927 7 L 4.0964 7.2444 119.3181 54.3632 42.8316 176.9611 8 N 4.5091 8.6539 123.3365 53.2554 39.1331 176.3043 9 S 4.1486 8.6091 118.0542 61.6456 62.9620 176.8531 10 L 3.9377 7.9078 122.4818 58.0426 41.7301 178.6888 11 A 4.1162 7.9174 119.1392 55.1515 18.6440 179.0261 12 L 4.1222 8.0784 117.2895 57.9906 41.7116 179.7240 13 A 4.1371 8.2802 120.7773 55.1007 18.2526 178.8753 14 Y 4.1719 8.4503 115.9913 59.3197 39.1762 178.0923 *16 G 3.7841 8.0176 109.0232 45.3354 0.0000 174.8502 17 D 4.3918 8.6497 119.4323 57.6230 41.0980 178.6778 18 A 3.9750 7.4611 120.3317 54.9008 18.4660 179.7273 19 V 3.4917 7.6644 116.3477 66.4113 31.6186 177.5279 20 Y 4.3583 8.5860 119.6891 60.6199 38.5508 177.2652 21 E 3.8035 8.2543 120.2604 59.3663 29.7154 178.6793 22 Q 3.9150 8.1350 119.3361 59.4009 29.1513 177.6353 23 Y 4.0773 7.8949 117.2993 61.3118 37.8522 179.0141 24 I 3.4890 7.8715 120.6413 64.3508 37.1658 178.7690 25 R 3.8501 8.2507 119.3074 59.2950 29.8735 178.4012 26 Y 3.9796 7.9775 119.3123 60.9034 38.7769 177.6621 27 H 4.0153 8.3367 119.0320 59.3398 30.0073 177.1485 28 L 3.8534 7.9751 120.9142 57.8497 41.1913 179.6091 29 L 3.9724 7.5819 118.2096 57.4342 41.5864 179.1387 30 Q 3.8861 7.5540 117.1515 58.9419 28.6500 178.3267 31 K 3.9837 7.7880 119.8957 59.0893 32.5211 178.5962 32 G 3.6922 8.7123 107.9142 46.4459 0.0000 174.3697 33 K 4.1123 8.8410 120.4958 57.3034 29.6012 175.5777 34 V 4.5432 7.0833 110.1436 59.4222 35.6167 175.9616 35 R 4.2145 8.3269 121.8329 55.1427 30.8725 176.1937 36 P 4.2743 0.0000 0.0000 65.8856 30.8879 178.4414 37 N 4.4391 8.1209 115.5391 55.4927 37.4868 176.3627 38 Q 4.2502 8.3143 119.8778 57.3203 28.9249 177.8141 39 L 3.9702 7.6325 120.5658 58.0565 41.8109 178.7125 40 H 4.1030 8.2367 117.3969 59.3819 29.6121 177.0176 41 R 3.8588 7.9130 118.3378 59.4290 30.1850 177.8611 42 L 4.2889 8.3344 119.2322 57.8737 41.5619 179.7306 43 G 3.7505 8.5127 105.9406 48.2083 0.0000 175.6894 44 T 3.9397 7.8800 117.8541 66.4558 68.2503 176.2092 45 S 4.2584 7.8007 114.2286 60.0091 63.2115 175.2876 46 F 4.6470 8.3759 120.8163 57.8554 39.9441 176.5671 47 V 4.6790 7.6358 108.3101 60.7608 32.9587 175.6530 48 S 4.4318 8.0868 115.8136 57.5235 63.9339 175.1896 49 A 4.3028 8.6476 123.8724 54.8514 18.0407 180.1124 50 K 3.8908 8.0719 116.1781 59.4806 32.1776 179.3360 51 A 3.8901 8.0983 121.0078 55.3432 18.3616 179.8076 52 Q 3.4306 8.2094 116.4302 58.5990 28.6505 178.7386 53 A 3.5336 8.0060 122.1007 54.7073 18.3675 179.3674 54 K 3.8019 7.7488 118.1418 59.7232 32.1235 178.9752 55 V 3.3752 7.3759 118.2317 65.9457 31.2653 178.1113 56 V 3.5100 7.3082 117.7766 66.1584 31.2986 177.4544 57 Y 4.3410 7.7150 116.8401 61.4291 37.7229 178.1674 58 H 4.0678 8.3861 118.9951 59.3432 30.1020 177.3002 59 L 4.0754 8.2001 120.8965 57.8223 41.0159 179.5576 60 L 4.0566 8.3426 119.3251 57.7321 41.3526 179.1572 61 E 3.9785 8.2224 118.5141 59.1637 29.7417 178.1400 62 T 4.2456 7.7448 106.0900 60.6775 68.3173 174.1366 63 A 3.8052 7.9039 123.5571 53.3387 16.7583 179.5545 64 F 4.3080 8.2801 123.5375 61.6781 39.8576 175.1250 65 L 4.8033 7.0612 117.6435 53.0339 43.4495 176.8207 66 T 4.2151 8.4401 112.6850 61.1567 70.9118 175.6400 67 E 3.9289 8.5685 119.7367 59.4324 29.5332 178.5183 68 E 3.8652 8.2121 119.8240 59.3371 29.7096 178.6653 69 E 3.8680 8.0722 118.0475 59.4380 29.4179 179.2636 70 E 4.0171 8.4488 118.4329 59.0573 29.3686 179.2314 71 A 3.9191 8.0169 121.2375 54.7978 18.4037 179.6847 72 V 3.2666 7.5047 116.8443 66.0718 31.1567 178.2471 73 L 3.9022 7.6565 118.3743 57.7323 41.2656 179.3445 74 R 3.8843 7.8445 117.3347 59.7430 30.0894 178.4183 75 R 4.1240 8.0056 116.6082 59.1792 30.3795 179.0766 76 G 3.6514 8.1243 105.0786 47.1005 0.0000 175.6466 77 R 4.2577 7.3746 119.3880 57.3609 30.0840 176.1824 78 N 4.8011 7.6288 115.2867 52.9974 39.2673 174.0606 79 A 4.1882 9.1647 127.3475 52.3713 16.8368 178.6931 80 N 4.1460 8.3239 114.1806 56.3424 38.9363 176.3608 81 S 4.2520 8.1161 114.0596 57.9944 60.8874 169.4143 82 G 4.1145 7.7889 106.4876 45.0638 0.0000 173.9168 83 T 4.5055 7.4448 107.9175 59.9667 70.7991 173.8483 84 V 3.9678 7.7546 121.7913 59.9029 33.4532 173.7802 85 P 4.2055 0.0000 0.0000 62.2129 31.7768 176.1813 86 K 3.8974 8.4626 120.8843 58.2824 32.7907 175.6669 87 N 4.2180 8.6275 115.2154 54.5001 36.3330 173.9069 88 T 4.5624 7.1633 112.4805 61.2587 70.9062 174.5889 89 D 4.4523 8.5841 125.5933 54.0884 42.7297 177.0603 90 V 3.6849 8.4208 126.2798 66.3481 31.8068 178.1384 91 Q 4.0820 8.1485 117.2728 59.3126 28.5934 178.7101 92 T 3.9782 8.4726 116.7347 66.9751 68.4632 175.9304 93 Y 4.2057 8.2721 121.2412 60.7830 38.7968 178.3053 94 R 3.7329 8.4143 119.3055 59.6398 30.2111 178.8309 95 H 4.0844 8.2417 115.9581 58.5604 28.5541 177.7853 96 S 4.0180 8.1502 115.0609 61.8660 62.3085 176.3770 97 T 3.9079 7.8998 118.4037 66.4883 68.0729 176.4357 98 A 3.8479 8.0339 122.7201 55.0038 18.4110 179.2648 99 F 4.0149 8.1870 119.1128 61.6802 39.3456 177.2390 100 E 3.7310 8.1114 117.4311 59.2055 29.1889 179.2097 101 A 3.8972 7.9437 120.8750 54.9220 18.5149 179.4763 102 L 3.7756 7.6959 118.7950 58.2841 42.1956 179.2075 103 I 3.6519 7.3798 119.8649 64.3268 36.9202 178.6716 104 G 3.9017 8.1759 107.9983 47.2616 0.0000 174.9673 105 Y 4.0795 8.1432 121.9068 61.0774 38.8593 178.1608 106 H 4.1975 8.2406 116.7612 58.8558 28.7802 177.2654 107 H 4.1219 8.3136 120.1392 59.4911 29.5512 177.3750 108 L 4.0640 7.9760 118.8635 56.8008 41.4970 178.3199 109 L 4.2652 7.3686 116.9954 53.5558 41.7107 176.0698 110 N 4.1515 7.7429 114.9271 54.5551 37.2563 175.9061 111 N 4.6811 7.9144 115.5990 51.9988 35.3082 175.1859 112 R 3.8983 7.6669 124.2087 59.3464 30.8630 177.1275 113 E 3.9165 8.0591 118.5724 59.3838 29.8180 178.6292 114 R 3.8796 7.8515 118.3123 59.1186 30.0936 178.0619 115 L 3.8463 8.0413 120.3298 58.0425 42.0687 178.3322 116 D 3.7665 8.4716 119.2319 57.4846 40.8416 178.7970 117 E 4.1002 8.0896 118.5677 59.7309 29.4440 179.7315 118 I 3.8323 7.8228 119.5872 64.3377 37.1049 178.7874 119 V 3.5871 7.7116 119.3164 66.2110 31.3214 177.7377 120 Y 4.4369 7.8807 116.9435 60.9112 37.5664 178.5379 121 K 3.8624 8.2729 120.4945 59.2575 32.2751 178.6068 122 A 3.8710 8.2758 121.4188 55.3427 18.3447 179.5838 123 I 3.9291 8.2161 118.2698 64.6785 37.1953 178.5698 124 A 4.0404 8.1615 121.5250 55.0368 17.9599 179.8606 125 V 3.3998 7.6840 115.9418 66.2396 31.7036 178.1045 126 L 4.0265 7.8120 117.2986 57.4481 41.4904 178.7970 127 E 4.1721 8.1653 117.4523 58.1730 29.6493 176.8137 128 E 4.2173 7.9464 123.6304 56.5605 29.8424 176.0889 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 2 I 8.02 4.04 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.06 0.91 0.00 0.00 3 D 8.23 4.44 0.00 2.73 2.56 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 4 A 9.01 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.13 4.45 0.00 1.80 1.97 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.44 7.81 6 Q 7.83 4.45 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 7 L 7.24 4.10 0.00 1.83 1.62 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.65 4.51 0.00 2.96 2.95 0.00 0.00 6.27 7.64 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 9 S 8.61 4.15 0.00 3.87 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 10 L 7.91 3.94 0.00 1.76 1.66 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.92 4.12 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 12 L 8.08 4.12 0.00 1.91 1.93 1.06 0.92 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 13 A 8.28 4.14 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 14 Y 8.45 4.17 0.00 3.11 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 *16 G 8.02 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 0.00 0.00 0.00 17 D 8.65 4.39 0.00 2.88 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 18 A 7.46 3.98 1.23 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 0.00 0.00 19 V 7.66 3.49 2.19 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 1.16 0.00 0.00 0.65 0.00 0.00 20 Y 8.59 4.36 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 21 E 8.25 3.80 0.00 2.35 2.12 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 2.32 2.37 0.00 22 Q 8.13 3.92 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.54 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 23 Y 7.89 4.08 0.00 3.27 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 24 I 7.87 3.49 1.71 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.21 0.62 0.00 0.00 25 R 8.25 3.85 0.00 1.83 1.97 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 26 Y 7.98 3.98 0.00 3.07 3.13 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 0.00 27 H 8.34 4.02 0.00 3.37 3.31 0.00 5.84 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 28 L 7.98 3.85 0.00 1.76 1.64 0.94 0.92 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 29 L 7.58 3.97 0.00 1.53 1.58 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.55 3.89 0.00 1.81 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.16 2.35 0.00 31 K 7.79 3.98 0.00 1.77 1.83 0.00 1.94 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.25 7.81 32 G 8.71 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 33 K 8.84 4.11 0.00 1.90 1.90 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.41 7.81 34 V 7.08 4.54 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 0.76 0.00 0.00 0.92 0.00 0.00 35 R 8.33 4.21 0.00 1.87 1.84 0.00 3.13 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 36 P 0.00 4.27 0.00 2.26 2.31 0.00 3.69 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 2.07 2.02 0.00 37 N 8.12 4.44 0.00 2.89 3.00 0.00 0.00 6.04 7.39 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 38 Q 8.31 4.25 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 39 L 7.63 3.97 0.00 1.79 1.74 0.91 1.29 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 40 H 8.24 4.10 0.00 3.27 3.34 0.00 5.87 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 41 R 7.91 3.86 0.00 1.87 2.11 0.00 3.31 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 42 L 8.33 4.29 0.00 1.91 1.82 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.51 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 44 T 7.88 3.94 4.41 0.00 0.00 0.00 0.00 0.00 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 45 S 7.80 4.26 0.00 3.75 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 46 F 8.38 4.65 0.00 3.14 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 47 V 7.64 4.68 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 0.86 0.00 0.00 1.08 0.00 0.00 48 S 8.09 4.43 0.00 4.05 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 0.00 49 A 8.65 4.30 1.47 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 50 K 8.07 3.89 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.53 7.81 51 A 8.10 3.89 1.33 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 0.00 0.00 52 Q 8.21 3.43 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.12 2.52 0.00 53 A 8.01 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.75 3.80 0.00 1.89 1.92 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.48 7.81 55 V 7.38 3.38 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 0.67 0.00 0.00 0.68 0.00 0.00 56 V 7.31 3.51 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 1.08 0.00 0.00 1.01 0.00 0.00 57 Y 7.71 4.34 0.00 3.09 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 58 H 8.39 4.07 0.00 3.18 3.38 0.00 5.59 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 59 L 8.20 4.08 0.00 1.92 1.82 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.34 4.06 0.00 1.75 1.77 1.03 0.83 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 61 E 8.22 3.98 0.00 2.09 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 0.00 2.31 2.30 0.00 62 T 7.74 4.25 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 1.05 0.00 0.00 63 A 7.90 3.81 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.28 4.31 0.00 3.06 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 65 L 7.06 4.80 0.00 1.70 1.69 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.44 4.22 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 1.18 0.00 0.00 67 E 8.57 3.93 0.00 2.20 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 0.00 2.36 2.36 0.00 68 E 8.21 3.87 0.00 2.07 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 2.41 0.00 69 E 8.07 3.87 0.00 2.26 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 2.42 2.41 0.00 70 E 8.45 4.02 0.00 2.13 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 2.35 2.51 0.00 71 A 8.02 3.92 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 72 V 7.50 3.27 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 0.70 0.00 0.00 -0.11 0.00 0.00 73 L 7.66 3.90 0.00 1.95 1.69 0.96 0.88 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 74 R 7.84 3.88 0.00 1.77 2.13 0.00 3.25 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 75 R 8.01 4.12 0.00 1.90 1.93 0.00 3.18 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 76 G 8.12 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 77 R 7.37 4.26 0.00 1.74 1.96 0.00 2.89 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.92 0.00 78 N 7.63 4.80 0.00 2.97 2.69 0.00 0.00 7.24 7.33 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 79 A 9.16 4.19 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.32 4.15 0.00 2.89 3.14 0.00 0.00 7.31 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 81 S 8.12 4.25 0.00 4.07 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 82 G 7.79 4.11 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 0.00 0.00 0.00 83 T 7.44 4.51 4.21 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 1.21 0.00 0.00 84 V 7.75 3.97 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 0.66 0.00 0.00 0.94 0.00 0.00 85 P 0.00 4.21 0.00 2.03 1.87 0.00 2.51 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 86 K 8.46 3.90 0.00 1.83 1.80 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.46 7.81 87 N 8.63 4.22 0.00 2.84 2.90 0.00 0.00 6.79 7.54 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 88 T 7.16 4.56 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 1.25 0.00 0.00 89 D 8.58 4.45 0.00 2.82 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 90 V 8.42 3.68 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 1.19 0.00 0.00 0.96 0.00 0.00 91 Q 8.15 4.08 0.00 2.34 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.65 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 92 T 8.47 3.98 4.51 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 1.27 0.00 0.00 93 Y 8.27 4.21 0.00 3.14 3.22 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 94 R 8.41 3.73 0.00 1.95 1.87 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.97 0.00 95 H 8.24 4.08 0.00 3.05 3.10 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.15 4.02 0.00 4.11 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.90 3.91 4.12 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 1.16 0.00 0.00 98 A 8.03 3.85 1.42 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 0.00 0.00 0.00 99 F 8.19 4.01 0.00 2.99 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 0.00 100 E 8.11 3.73 0.00 2.22 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 0.00 2.37 2.39 0.00 101 A 7.94 3.90 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 0.00 102 L 7.70 3.78 0.00 1.67 1.63 0.87 1.04 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 0.00 103 I 7.38 3.65 1.71 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.03 0.84 0.00 0.00 104 G 8.18 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 0.00 105 Y 8.14 4.08 0.00 3.12 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 0.00 106 H 8.24 4.20 0.00 3.28 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 H 8.31 4.12 0.00 3.35 3.50 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 0.00 108 L 7.98 4.06 0.00 1.58 1.66 0.95 1.16 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 0.00 109 L 7.37 4.27 0.00 1.43 1.52 0.08 0.80 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 0.00 110 N 7.74 4.15 0.00 2.82 2.84 0.00 0.00 6.92 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 7.91 4.68 0.00 2.76 2.72 0.00 0.00 6.69 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 0.00 112 R 7.67 3.90 0.00 1.88 1.93 0.00 3.17 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 113 E 8.06 3.92 0.00 2.08 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 0.00 2.39 2.39 0.00 114 R 7.85 3.88 0.00 1.88 1.73 0.00 3.32 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 115 L 8.04 3.85 0.00 1.93 1.82 0.84 1.24 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 0.00 116 D 8.47 3.77 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 4.10 0.00 2.32 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 0.00 2.45 2.60 0.00 118 I 7.82 3.83 1.84 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 1.68 1.00 0.96 0.00 0.00 119 V 7.71 3.59 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 0.77 0.00 0.00 0.42 0.00 0.00 120 Y 7.88 4.44 0.00 3.07 2.92 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 0.00 121 K 8.27 3.86 0.00 1.69 1.76 0.00 1.23 0.00 0.00 1.45 0.00 0.00 2.92 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 1.06 7.81 122 A 8.28 3.87 1.42 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 0.00 0.00 0.00 123 I 8.22 3.93 2.10 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 1.34 1.09 0.81 0.00 0.00 124 A 8.16 4.04 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 0.00 125 V 7.68 3.40 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 0.73 0.00 0.00 0.61 0.00 0.00 126 L 7.81 4.03 0.00 1.63 1.32 0.93 0.69 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 0.00 127 E 8.17 4.17 0.00 2.12 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 0.00 2.50 2.66 0.00 128 E 7.95 4.22 0.00 2.14 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 2.32 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.