NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2900 8.1593 117.3738 63.5523 69.8525 173.3466 2 S 4.4601 8.3211 120.5043 55.8604 65.1048 173.1620 3 K 3.9809 9.4454 122.8428 59.7913 32.6885 179.7808 4 K 3.8133 8.1248 118.0857 59.7511 31.8123 178.8234 5 K 3.8364 7.6644 117.3462 58.9820 31.5418 177.7815 6 R 4.3982 8.0105 116.7697 56.4832 30.5353 177.9821 7 Q 4.1653 8.2006 119.5873 57.0938 28.4146 176.0499 8 R 4.0333 6.7683 116.4302 58.3778 30.0701 176.5423 9 G 4.1022 9.0249 111.6822 45.6091 0.0000 174.1826 10 S 4.1928 7.9317 112.9064 58.4867 63.5636 174.4959 11 R 4.1646 8.0236 125.4521 57.5152 29.2632 176.7056 12 T 4.2871 7.6403 104.9023 61.3214 69.6899 174.0824 13 H 4.7089 8.4834 117.9749 56.0255 26.8538 175.6692 14 G 3.9032 8.4717 103.9792 46.0348 0.0000 174.8309 15 G 3.8729 8.1300 107.1612 45.0161 0.0000 176.2574 16 G 3.9185 7.8469 106.9545 45.1750 0.0000 174.3279 17 S 4.1717 8.5754 117.8030 58.5045 62.7167 174.7157 18 H 4.3768 8.8899 121.6877 57.1968 28.2009 175.7948 19 K 4.0993 7.6484 119.0552 56.9375 31.9130 177.5282 20 N 4.3855 7.9656 117.7091 55.7801 39.2082 177.0431 21 R 4.3581 7.4655 119.6460 56.7127 28.6983 177.4430 22 R 4.5818 7.2278 122.6098 56.2266 30.6634 179.6329 23 G 4.0276 8.4349 120.6783 45.8735 0.0000 173.3651 24 A 4.2845 8.6395 120.6177 54.1241 18.4186 179.9886 25 G 3.5917 8.0089 104.4969 47.7532 0.0000 174.8765 26 H 4.5516 8.0135 118.4325 57.6121 29.9942 176.2117 27 R 4.5572 7.6462 117.0563 55.5006 31.0033 175.7090 28 G 3.7645 7.9872 106.7208 46.6309 0.0000 174.3414 29 G 3.9705 8.2557 105.4464 44.0092 0.0000 174.2995 30 R 4.0142 8.5517 119.4960 57.1391 31.6185 176.0715 31 G 3.8089 8.2504 113.8505 47.4942 0.0000 173.2330 32 D 4.7389 8.6204 122.2380 54.0042 40.7171 175.6425 33 A 4.0813 7.4644 122.3155 53.7325 18.8199 179.2096 34 G 3.7594 8.9328 109.5797 45.3730 0.0000 175.1996 35 R 3.9063 7.6973 116.6121 57.6060 29.2543 177.3401 36 D 5.0496 7.8926 115.8496 52.7112 41.3733 176.1892 37 K 4.2722 8.7159 117.8798 56.9092 32.4812 177.9291 38 H 4.5102 9.5989 125.7436 58.2570 29.5173 176.0059 39 E 4.7661 7.1606 120.2750 55.7655 30.4647 177.2715 40 F 4.9812 8.3198 115.3743 59.2489 38.5423 175.0960 41 H 3.3861 6.4992 117.2543 57.3702 28.6452 174.3268 42 N 4.2685 8.8447 121.1570 54.9432 35.6839 173.7746 43 H 4.9316 7.6888 111.9050 53.6261 32.3094 174.0248 44 E 4.1842 8.6821 122.7677 55.2739 30.0192 175.2810 45 P 4.4394 0.0000 0.0000 62.7595 31.8032 176.1291 46 L 4.1375 8.0217 119.1261 54.8505 42.2304 175.9417 47 G 4.3172 7.9442 105.7739 43.3827 0.0000 173.0665 48 K 4.6083 8.0052 119.4646 54.7546 34.2489 176.6387 49 S 4.3417 8.4234 115.8108 58.2303 65.1074 175.3085 50 G 4.0076 9.4284 118.4163 45.0697 0.0000 171.2476 51 F 5.0038 8.3430 112.7634 55.5815 40.9812 173.2579 52 K 4.2735 8.2827 118.9449 54.4248 35.2784 176.4691 53 R 4.4441 8.0768 121.5662 54.0987 31.4137 174.7008 54 P 4.2522 0.0000 0.0000 63.3340 31.3209 176.9646 55 Q 3.8904 8.9761 120.6304 59.0937 28.7526 178.5379 56 K 4.4809 7.9493 114.1073 56.8270 32.6604 176.9280 57 V 4.3335 8.0209 116.6458 62.9118 32.0764 174.8440 58 Q 4.6057 7.5462 116.0854 54.4559 30.2001 174.7257 59 E 4.5019 8.5722 121.1305 54.4153 31.9346 174.9947 60 E 4.4325 8.3772 124.0583 54.2101 31.4477 174.3436 61 A 3.9333 8.1974 129.3522 51.2861 19.7527 176.2722 62 A 4.4136 9.1876 125.7679 51.1495 19.8778 176.7314 63 T 5.4194 8.0929 111.9704 60.4162 71.8098 173.8316 64 I 4.3499 7.7741 119.2983 60.3006 41.4881 172.6285 65 D 5.2324 8.5293 128.2744 53.2197 42.4378 177.7777 66 V 3.5814 8.6827 116.1726 64.8828 31.4831 178.8092 67 R 3.8694 7.8586 117.7112 59.5682 29.5430 178.1949 68 E 3.8754 8.1415 117.8364 59.4696 30.0136 178.3121 69 I 3.7430 7.7562 119.2880 64.5394 37.0599 177.3571 70 D 4.3361 8.4960 118.7304 57.7936 40.9031 178.5146 71 E 4.1818 8.3116 116.8101 58.0574 29.3275 177.0806 72 N 5.0382 7.9875 116.9010 52.9033 40.2355 177.3441 73 V 3.2188 7.5605 113.4897 64.7171 31.7684 178.9024 74 T 3.8711 7.6335 108.0307 64.7640 68.4391 175.4776 75 L 4.0839 7.1907 120.9910 56.7025 41.9104 177.3002 76 L 4.4421 7.5928 120.4334 53.5540 41.3902 178.1373 77 A 4.0145 8.0824 122.5078 55.4233 18.7362 178.3226 78 A 4.4451 7.7557 117.6883 52.0100 18.7435 177.2852 79 D 4.5776 8.2407 119.3355 56.1683 45.7013 175.9921 80 D 4.2398 7.5256 121.9115 49.3008 41.4314 175.4732 81 V 4.5399 8.3496 121.5929 61.1214 34.0621 174.7685 82 A 4.2119 8.1531 133.2543 51.6344 20.4524 177.0284 83 E 3.8169 8.9832 109.8095 59.5990 30.0600 174.1807 *89 F 4.6439 7.7562 114.2489 57.9228 41.0565 174.1037 90 R 5.1500 8.7457 120.7168 54.7164 32.5792 174.8677 91 V 4.4960 8.7666 125.8263 59.9028 35.0405 174.5792 92 D 4.8195 8.7352 124.0346 52.9288 40.9810 176.3889 93 V 3.5818 8.6021 128.2917 66.3744 31.5603 178.3418 94 R 3.4317 7.6451 117.1871 59.3481 29.8728 177.8531 95 D 4.5940 8.0445 116.6590 55.3270 41.1825 178.4288 96 V 3.8642 8.2199 119.7454 64.2096 32.2219 176.3338 97 V 3.6024 7.2753 116.9397 63.0817 31.5978 175.4954 98 E 4.2011 8.5791 126.0096 57.0953 30.2825 176.8447 99 E 4.2931 9.0439 117.1849 57.3293 26.8370 175.4814 100 A 4.4071 7.5197 119.5527 52.7836 18.5642 178.1165 101 D 4.7416 7.8864 117.6094 56.9596 42.0359 178.3678 102 D 4.4146 8.0019 115.6587 53.3798 39.1510 174.8410 103 A 4.7804 7.6348 122.9874 50.6695 20.8875 178.1787 104 D 4.2074 8.6357 121.4897 55.5025 41.7069 175.5906 105 Y 4.8343 6.3262 118.1518 57.3773 41.8127 171.8546 106 V 4.7778 8.8516 120.9894 61.2374 33.7814 174.3494 107 K 4.8602 9.2923 129.0202 54.5676 35.4701 174.5497 108 V 4.6410 8.2763 127.3939 61.5842 33.2123 174.6931 109 L 4.7026 9.3080 127.7241 52.4114 44.7568 176.7249 110 G 4.2416 8.1972 108.1577 45.4167 0.0000 173.4359 111 A 4.6351 8.1101 120.8939 51.6729 21.7960 179.2895 112 G 4.0115 8.9285 108.3421 44.4725 0.0000 172.2164 113 Q 4.5054 8.1329 117.0258 54.1522 31.0803 175.4987 114 V 4.3292 7.9537 117.4945 61.8688 32.8965 174.6923 115 R 4.4364 8.7023 125.2413 56.2028 30.1674 175.6082 116 H 5.2465 7.7739 114.3828 53.7772 33.3133 172.4027 117 E 4.9160 8.8163 117.7969 54.9325 30.4280 175.6579 118 L 5.1331 8.6049 123.9965 53.0457 46.0249 175.7990 119 T 4.9082 9.0632 119.9446 62.1398 70.5400 172.8026 120 L 5.2935 8.7426 127.3224 53.0272 44.4188 175.8690 121 I 5.6260 8.6978 123.4557 58.9550 39.9257 174.6583 122 A 4.7804 8.6412 127.2716 50.8508 22.2100 175.9473 123 D 4.4184 8.6695 117.4298 56.8347 41.9634 176.3316 124 D 4.5388 7.2138 115.5411 53.6789 44.4579 174.0929 125 F 5.5846 9.0287 120.0865 55.3995 43.5879 173.9212 126 S 4.7829 8.6462 114.6813 57.0402 65.4946 174.6366 127 E 4.0329 9.2176 121.1137 60.1051 29.2215 179.8438 128 G 3.8074 8.3120 104.4231 48.0712 0.0000 175.1753 129 A 4.0671 7.7526 122.6884 55.0742 18.3744 179.8063 130 R 3.7795 8.1424 116.5218 59.3122 30.1530 178.7370 131 E 3.9355 8.4460 118.5008 59.7117 29.1375 179.9163 132 K 3.9304 8.0238 117.8798 59.6868 32.3082 179.7106 133 V 3.6585 7.9989 118.3114 65.7430 31.3204 177.8879 134 E 4.8874 7.9808 120.2093 58.5065 29.3562 179.0825 135 G 3.9449 8.3829 104.5810 46.7891 0.0000 173.6899 136 A 4.5695 7.6811 122.9648 51.7372 19.5445 176.9471 137 G 4.0588 8.4062 105.2000 48.5972 0.0000 173.3539 138 G 4.8439 7.8047 104.7102 42.9800 0.0000 172.1033 139 S 5.1129 9.0749 113.1556 56.3992 67.0155 173.3347 140 V 4.5593 8.1319 119.9028 61.1896 33.7511 174.2020 141 E 4.5914 9.4652 128.9116 54.4859 31.6420 174.9330 142 L 4.8754 8.4788 127.2976 54.6304 43.0230 176.5228 143 T 4.1321 8.7969 123.4077 63.6786 69.5672 175.1269 144 D 4.3388 8.7357 121.3358 57.4619 41.1238 179.0358 145 L 3.9186 8.0036 120.1201 57.8504 42.2068 178.1092 146 G 3.8133 7.5241 106.4551 47.1197 0.0000 173.8602 147 E 4.3384 7.9901 120.4789 57.1029 29.4343 176.8560 148 E 4.7965 7.9398 113.1306 56.3773 30.3660 178.3544 149 R 4.5535 7.4488 116.3727 52.1200 30.8630 176.1990 150 Q 4.3053 7.8857 121.4099 56.8488 29.3114 173.0933 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 T 8.16 4.29 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 1.20 0.00 0.00 2 S 8.32 4.46 0.00 4.05 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 3 K 9.45 3.98 0.00 1.84 1.85 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.12 3.81 0.00 1.83 1.88 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.53 7.81 5 K 7.66 3.84 0.00 1.71 2.05 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.53 7.81 6 R 8.01 4.40 0.00 1.97 1.91 0.00 3.17 0.00 0.00 3.16 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 7 Q 8.20 4.17 0.00 1.82 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.97 0.00 0.00 0.00 0.00 0.00 2.63 2.45 0.00 8 R 6.77 4.03 0.00 1.82 1.90 0.00 3.31 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 9 G 9.02 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 10 S 7.93 4.19 0.00 3.99 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 11 R 8.02 4.16 0.00 1.97 2.10 0.00 3.20 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 12 T 7.64 4.29 4.32 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 1.32 0.00 0.00 13 H 8.48 4.71 0.00 3.29 3.40 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.47 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 15 G 8.13 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 16 G 7.85 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 17 S 8.58 4.17 0.00 3.87 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 18 H 8.89 4.38 0.00 3.31 3.39 0.00 5.57 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.65 4.10 0.00 1.72 1.80 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.27 1.27 7.81 20 N 7.97 4.39 0.00 2.75 2.60 0.00 0.00 6.95 7.63 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 21 R 7.47 4.36 0.00 1.77 1.89 0.00 3.17 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 1.66 1.63 0.00 22 R 7.23 4.58 0.00 1.74 1.05 0.00 3.23 0.00 0.00 3.20 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 23 G 8.43 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 24 A 8.64 4.28 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 25 G 8.01 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 26 H 8.01 4.55 0.00 3.03 3.49 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.65 4.56 0.00 2.03 1.91 0.00 3.34 0.00 0.00 3.24 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 28 G 7.99 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 29 G 8.26 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 0.00 0.00 0.00 30 R 8.55 4.01 0.00 1.91 1.82 0.00 3.39 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 31 G 8.25 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 32 D 8.62 4.74 0.00 2.73 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 33 A 7.46 4.08 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 34 G 8.93 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 35 R 7.70 3.91 0.00 1.63 1.92 0.00 2.73 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 36 D 7.89 5.05 0.00 2.74 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 37 K 8.72 4.27 0.00 1.77 1.52 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.34 1.50 7.81 38 H 9.60 4.51 0.00 3.32 3.48 0.00 5.47 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.16 4.77 0.00 1.98 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 2.25 2.09 0.00 40 F 8.32 4.98 0.00 3.21 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 41 H 6.50 3.39 0.00 2.91 3.05 0.00 5.83 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.84 4.27 0.00 2.81 2.87 0.00 0.00 6.89 8.16 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 43 H 7.69 4.93 0.00 3.34 3.18 0.00 5.85 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.68 4.18 0.00 1.98 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 2.33 2.31 0.00 45 P 0.00 4.44 0.00 2.19 2.09 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 46 L 8.02 4.14 0.00 1.66 1.64 0.91 0.92 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 47 G 7.94 4.32 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 0.00 48 K 8.01 4.61 0.00 1.75 1.74 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.40 7.81 49 S 8.42 4.34 0.00 3.79 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 50 G 9.43 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 0.00 0.00 0.00 0.00 51 F 8.34 5.00 0.00 3.12 2.94 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 52 K 8.28 4.27 0.00 1.67 1.61 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.22 1.36 7.81 53 R 8.08 4.44 0.00 1.73 1.86 0.00 3.31 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.39 0.00 54 P 0.00 4.25 0.00 2.22 2.23 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 55 Q 8.98 3.89 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.10 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 56 K 7.95 4.48 0.00 1.86 1.89 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.42 7.81 57 V 8.02 4.33 2.20 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 0.85 0.00 0.00 0.95 0.00 0.00 58 Q 7.55 4.61 0.00 2.26 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.36 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 59 E 8.57 4.50 0.00 1.93 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 2.49 2.28 0.00 60 E 8.38 4.43 0.00 1.94 1.71 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 2.16 2.19 0.00 61 A 8.20 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 9.19 4.41 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 63 T 8.09 5.42 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 1.18 0.00 0.00 64 I 7.77 4.35 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.19 0.93 0.00 0.00 65 D 8.53 5.23 0.00 2.63 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 66 V 8.68 3.58 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 0.91 0.00 0.00 1.00 0.00 0.00 67 R 7.86 3.87 0.00 1.95 2.01 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 68 E 8.14 3.88 0.00 1.99 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 2.31 2.33 0.00 69 I 7.76 3.74 2.00 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 1.52 0.51 0.90 0.00 0.00 70 D 8.50 4.34 0.00 2.83 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 E 8.31 4.18 0.00 1.95 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 2.34 2.64 0.00 72 N 7.99 5.04 0.00 2.66 2.70 0.00 0.00 6.84 7.30 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 73 V 7.56 3.22 0.67 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 0.50 0.00 0.00 0.29 0.00 0.00 74 T 7.63 3.87 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 1.18 0.00 0.00 75 L 7.19 4.08 0.00 1.80 1.76 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.59 4.44 0.00 1.84 1.64 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.08 4.01 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 78 A 7.76 4.45 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 79 D 8.24 4.58 0.00 2.78 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 80 D 7.53 4.24 0.00 3.01 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.35 4.54 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 0.37 0.00 0.00 0.96 0.00 0.00 82 A 8.15 4.21 1.13 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 0.00 0.00 83 E 8.98 3.82 0.00 1.99 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 0.00 2.24 1.94 0.00 *89 F 7.76 4.64 0.00 3.00 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 90 R 8.75 5.15 0.00 1.83 1.81 0.00 3.22 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.77 4.50 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 0.69 0.00 0.00 0.95 0.00 0.00 92 D 8.74 4.82 0.00 2.73 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 93 V 8.60 3.58 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 0.86 0.00 0.00 0.98 0.00 0.00 94 R 7.65 3.43 0.00 2.00 2.02 0.00 3.22 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 95 D 8.04 4.59 0.00 2.79 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 96 V 8.22 3.86 2.17 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 0.79 0.00 0.00 0.93 0.00 0.00 97 V 7.28 3.60 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 0.83 0.00 0.00 0.97 0.00 0.00 98 E 8.58 4.20 0.00 2.05 1.83 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 2.38 2.31 0.00 99 E 9.04 4.29 0.00 2.17 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 0.00 2.26 2.23 0.00 100 A 7.52 4.41 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 0.00 101 D 7.89 4.74 0.00 2.67 2.67 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 0.00 0.00 0.00 0.00 102 D 8.00 4.41 0.00 2.80 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.63 4.78 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 0.00 104 D 8.64 4.21 0.00 2.56 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 6.33 4.83 0.00 3.02 3.05 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 0.00 106 V 8.85 4.78 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 0.90 0.00 0.00 0.94 0.00 0.00 107 K 9.29 4.86 0.00 2.01 1.66 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.51 7.81 108 V 8.28 4.64 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 0.98 0.00 0.00 0.75 0.00 0.00 109 L 9.31 4.70 0.00 1.75 1.55 0.92 0.86 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 0.00 110 G 8.20 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 0.00 0.00 0.00 0.00 111 A 8.11 4.64 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 0.00 112 G 8.93 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 0.00 0.00 0.00 0.00 113 Q 8.13 4.51 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 114 V 7.95 4.33 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 0.97 0.00 0.00 0.95 0.00 0.00 115 R 8.70 4.44 0.00 1.58 1.81 0.00 3.11 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 116 H 7.77 5.25 0.00 3.02 3.32 0.00 5.69 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 0.00 117 E 8.82 4.92 0.00 2.02 2.26 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 2.30 2.28 0.00 118 L 8.60 5.13 0.00 1.63 1.62 1.00 0.74 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 0.00 119 T 9.06 4.91 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 1.23 0.00 0.00 120 L 8.74 5.29 0.00 1.81 1.87 1.08 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.70 5.63 1.94 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 1.18 0.80 0.98 0.00 0.00 122 A 8.64 4.78 0.64 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 0.00 123 D 8.67 4.42 0.00 2.80 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 0.00 124 D 7.21 4.54 0.00 2.47 2.29 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 0.00 125 F 9.03 5.58 0.00 2.84 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 0.00 126 S 8.65 4.78 0.00 3.93 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 0.00 127 E 9.22 4.03 0.00 2.05 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 2.42 2.43 0.00 128 G 8.31 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 0.00 129 A 7.75 4.07 1.52 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 0.00 130 R 8.14 3.78 0.00 2.03 1.93 0.00 3.16 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.63 0.00 131 E 8.45 3.94 0.00 2.00 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 2.34 2.52 0.00 132 K 8.02 3.93 0.00 1.88 1.87 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.71 7.81 133 V 8.00 3.66 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 1.10 0.00 0.00 1.05 0.00 0.00 134 E 7.98 4.89 0.00 2.02 1.95 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 2.39 2.31 0.00 135 G 8.38 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 0.00 136 A 7.68 4.57 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 0.00 137 G 8.41 4.06 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 0.00 0.00 0.00 138 G 7.80 4.84 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 0.00 0.00 0.00 139 S 9.07 5.11 0.00 3.79 3.89 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 0.00 0.00 0.00 140 V 8.13 4.56 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.88 0.00 0.00 0.50 0.00 0.00 141 E 9.47 4.59 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 142 L 8.48 4.88 0.00 1.66 1.61 1.21 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.80 4.13 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 1.26 0.00 0.00 144 D 8.74 4.34 0.00 2.71 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 0.00 145 L 8.00 3.92 0.00 1.61 1.83 1.02 1.00 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 0.00 146 G 7.52 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 0.00 147 E 7.99 4.34 0.00 2.08 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 2.34 2.46 0.00 148 E 7.94 4.80 0.00 1.83 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 2.17 2.58 0.00 149 R 7.45 4.55 0.00 1.74 1.82 0.00 3.31 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 150 Q 7.89 4.31 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.