NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.8923 8.3549 109.7277 45.1076 0.0000 174.1731 -1 S 4.2446 7.7463 115.5832 57.6663 63.7878 172.0850 0 H 4.7725 9.0960 121.0101 54.1464 32.7610 173.0342 1 M 4.1812 8.6819 124.9254 55.4765 33.0332 175.4123 2 V 4.6448 8.2965 122.9664 61.0550 33.9616 174.6371 3 V 4.2044 8.8816 128.3568 61.0806 33.3493 173.8517 4 E 4.8456 8.6451 129.6349 55.5483 30.7592 175.4172 5 L 4.7965 9.0746 125.8182 52.9541 46.1252 175.0880 6 A 5.1355 8.5251 125.0291 51.0171 20.4128 175.9577 7 Y 4.6571 9.2204 119.7035 56.3262 41.4581 177.2583 8 T 3.8341 9.2344 120.4529 66.1307 68.8909 174.3147 9 D 4.8041 7.7795 121.1685 50.5307 41.5209 173.4161 10 P 4.2590 0.0000 0.0000 65.0510 31.5099 177.4310 11 D 4.3627 8.1893 117.2415 57.7315 40.7788 179.0699 12 R 4.0662 8.0287 118.2385 58.9217 29.9920 179.0446 13 A 3.7687 8.1340 120.8660 54.9463 18.2249 179.7371 14 V 3.4719 7.8530 116.8981 66.1678 31.5433 177.3750 15 D 4.2888 7.7842 117.3710 57.2482 41.0263 177.9312 16 W 3.8955 8.4267 128.8385 60.6678 30.7032 177.9303 17 L 3.6815 8.4302 119.1112 57.4676 41.1563 179.7232 18 V 3.7548 7.8636 119.6894 65.4337 31.3115 178.0821 19 R 3.6399 7.6172 117.0655 59.2829 30.0028 178.2495 20 V 3.1911 7.0440 116.6460 64.9203 31.5644 176.6813 21 F 4.4461 6.9738 114.2348 56.7261 39.4458 176.5042 22 G 3.8192 7.6164 107.9654 46.2563 0.0000 174.0938 23 F 4.9226 7.7296 117.7413 57.1351 39.9463 173.9203 24 R 4.7863 8.7199 122.6769 54.1475 32.5823 174.5610 25 L 4.3080 8.7309 128.7993 55.7301 42.0100 175.9748 26 L 4.5518 8.8839 126.7313 56.2432 43.4304 176.8981 27 L 4.6949 7.4688 118.4458 53.7981 45.4414 174.2937 28 R 5.1620 8.5114 120.7923 54.5881 32.8617 174.1397 29 Q 4.6524 9.1592 121.8886 53.9994 32.8833 173.3092 30 P 4.8897 0.0000 0.0000 61.7080 33.1030 175.8269 31 A 4.1392 8.5892 120.3768 54.4494 18.4185 177.9974 32 I 4.4638 7.7795 114.7783 60.6866 40.2476 176.7372 33 G 3.8360 8.6330 110.7298 44.4813 0.0000 172.6781 34 T 4.3335 8.0183 108.9203 60.7606 69.5772 174.2936 35 I 4.0511 8.3303 125.9436 61.7518 37.9275 176.0996 36 R 4.5755 8.9709 123.3166 57.3668 32.5977 175.8456 37 H 5.4968 7.9938 117.6966 54.7719 33.6162 172.1425 38 A 5.0806 9.0195 126.0993 50.4561 23.0905 174.2227 39 D 5.3363 9.0197 121.1936 52.5385 43.6507 175.4549 40 L 5.1965 8.9838 123.2464 52.8898 45.0708 175.0874 41 D 4.8900 9.2801 124.6765 53.9020 42.0681 176.8705 42 T 3.9557 8.5512 115.2652 61.4672 69.7266 175.5712 43 G 4.0716 9.8542 110.9272 45.6940 0.0000 174.6761 44 G 4.1961 7.6738 106.8599 42.6829 0.0000 171.6826 45 G 4.1761 7.5758 107.2322 43.7715 0.0000 170.8233 46 I 4.8718 8.8852 121.8224 59.2138 40.3344 174.8611 47 V 4.5717 8.6860 126.9181 61.7247 33.2968 174.1961 48 M 4.8534 9.0758 129.5212 54.1612 33.5083 174.7908 49 V 4.6515 8.9359 128.3570 62.5402 33.0974 175.0908 50 R 5.3245 9.0487 126.1427 54.0380 34.5262 174.8684 51 R 4.5761 8.5072 122.2727 56.3096 31.3487 176.1686 52 T 3.9383 8.2863 122.8250 65.7365 68.8358 174.6904 53 G 3.9834 9.1449 113.6182 45.5717 0.0000 173.2470 54 E 4.6858 7.7475 117.7989 53.9211 29.5700 173.4261 55 P 4.6908 0.0000 0.0000 62.2580 32.8303 176.9370 56 Y 4.2297 8.9185 120.6112 60.5728 38.7422 175.2335 57 T 4.4287 7.4108 111.1525 59.7940 70.7078 172.5695 58 V 3.6322 8.1898 121.1146 62.5261 31.2618 175.4098 59 S 4.6292 8.1083 115.3188 57.0057 65.9797 172.6833 60 C 4.4093 8.3260 120.9419 57.8372 32.4468 173.1601 61 A 4.0631 8.6181 129.2882 51.7797 18.4934 177.1688 62 G 3.9304 7.9152 111.1225 45.1935 0.0000 172.7494 63 G 3.7441 8.3569 108.5802 44.8252 0.0000 173.1387 64 H 4.4130 8.6554 120.2726 55.9018 29.7607 174.6512 65 T 4.6031 8.0369 116.6573 59.5074 71.2678 173.5561 66 C 4.3073 8.3552 120.5457 59.8655 28.8363 173.2587 67 K 4.5380 8.8681 122.0741 54.7558 34.8658 174.6509 68 Q 4.7218 8.3378 123.9737 54.5653 30.5346 174.6448 69 V 4.0463 8.6992 126.8257 60.8867 34.2077 174.0177 70 I 4.5268 7.8874 127.5775 59.3928 39.3854 175.0970 71 V 4.2936 8.5166 126.6061 60.8385 34.8157 174.0226 72 W 5.7432 8.7399 127.4650 55.9954 30.4293 176.0448 73 V 4.7776 9.2259 117.3987 59.7380 34.9482 177.1920 74 S 4.1543 9.0982 117.8892 60.8281 63.7094 174.3272 75 D 4.8753 7.7320 123.2123 51.4025 40.6382 176.0734 76 V 3.8997 7.9772 124.8341 64.0274 31.7621 178.1720 77 D 4.3449 8.0582 119.4924 57.4451 40.8748 178.0944 78 E 3.9894 8.3448 119.3197 59.2682 29.6642 178.1314 79 H 3.9929 8.2673 118.4389 59.2121 29.9776 177.0532 80 F 3.6052 8.4853 122.6282 61.3060 39.1043 176.7636 81 M 3.8954 8.0569 119.2766 57.8766 32.1268 178.2674 82 R 3.7297 7.8216 118.9050 59.3305 30.3898 178.5629 83 S 3.9581 7.8116 115.2471 61.6936 62.3233 176.8732 84 T 3.6010 7.5189 112.0877 64.7953 68.2582 176.4866 85 A 3.9204 7.5781 122.3115 54.1266 18.4242 178.5775 86 A 4.1238 7.5286 116.7468 52.0953 18.7962 178.1438 87 G 3.7458 7.8630 105.1653 45.6113 0.0000 174.1227 88 A 4.2841 7.4614 121.3459 52.0304 18.9514 178.4144 89 D 4.7355 8.7352 120.5937 53.7650 41.6144 175.6793 90 I 4.4916 8.3819 125.5125 61.4289 37.3370 176.2588 91 V 4.0699 9.1482 128.1346 64.7992 32.6557 176.0865 92 Q 4.8128 8.0869 120.2312 53.1133 31.6262 173.5191 93 P 4.8905 0.0000 0.0000 62.1396 32.5046 175.9724 94 L 4.0842 7.1874 123.0669 56.1842 42.0635 176.0749 95 Q 4.6249 8.6183 122.0854 55.1022 32.4864 173.1759 96 D 5.0351 8.5233 119.8411 53.9764 42.3002 176.1865 97 K 4.7347 8.7085 120.6057 54.1179 36.6733 173.7188 98 P 3.9566 0.0000 0.0000 62.9255 32.7710 178.3064 *99 W 3.4352 8.5920 121.2340 56.8994 25.4128 173.5973 100 G 4.1088 8.4190 108.5877 47.0456 0.0000 173.0111 101 L 4.0816 7.4282 120.0019 54.4396 42.9594 176.4296 102 R 5.0944 8.6236 122.2412 54.4929 33.2326 174.3242 103 Q 5.3215 8.8050 121.7566 54.7945 32.9420 173.3305 104 Y 5.4560 8.9142 117.2621 55.6618 42.4985 173.3094 105 L 5.5253 9.3334 121.0930 53.3184 45.6454 175.4417 106 V 5.2323 9.1667 124.6655 60.1633 35.2193 174.0336 107 R 5.2422 9.0562 124.4037 55.1267 31.3759 176.1438 108 D 4.0673 9.1798 126.8201 51.7371 41.1461 176.8682 109 L 3.6375 6.3747 118.2276 58.2805 40.2844 177.7604 110 E 4.0395 8.0452 119.4239 56.8424 29.8035 176.6812 111 G 4.0543 7.7515 104.2720 45.1479 0.0000 173.7396 112 H 4.5087 8.2995 117.5496 55.8936 30.2618 174.1028 113 L 5.1343 8.8404 122.3038 53.3326 43.6832 175.4893 114 W 4.8114 9.7646 124.0210 54.7691 32.0895 174.0640 115 E 4.7764 8.9240 126.8809 54.5724 31.1776 174.3236 116 F 5.3331 8.6017 126.3605 56.1427 41.4323 174.9715 117 T 5.0944 8.9781 120.1838 61.4898 72.3750 173.9346 118 R 5.0092 9.3544 126.2961 56.7583 29.4254 176.0997 119 H 3.5201 9.3987 123.6784 55.7382 26.7762 174.7283 120 L 3.3438 6.3722 128.5774 55.3769 43.2719 173.7371 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 G 8.35 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 0.00 0.00 0.00 -1 S 7.75 4.24 0.00 3.90 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 H 9.10 4.77 0.00 3.03 3.13 0.00 5.90 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.68 4.18 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.45 0.00 2 V 8.30 4.64 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 0.62 0.00 0.00 0.87 0.00 0.00 3 V 8.88 4.20 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 0.77 0.00 0.00 0.81 0.00 0.00 4 E 8.65 4.85 0.00 1.92 1.78 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 2.27 2.35 0.00 5 L 9.07 4.80 0.00 1.79 1.65 0.64 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.53 5.14 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 7 Y 9.22 4.66 0.00 2.97 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 8 T 9.23 3.83 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 9 D 7.78 4.80 0.00 2.68 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 10 P 0.00 4.26 0.00 2.42 2.16 0.00 3.71 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 11 D 8.19 4.36 0.00 2.89 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.03 4.07 0.00 1.78 1.99 0.00 3.31 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 13 A 8.13 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.85 3.47 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 1.07 0.00 0.00 0.99 0.00 0.00 15 D 7.78 4.29 0.00 2.95 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 16 W 8.43 3.90 0.00 3.46 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 17 L 8.43 3.68 0.00 1.79 1.77 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.86 3.75 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 1.22 0.00 0.00 1.04 0.00 0.00 19 R 7.62 3.64 0.00 1.64 1.76 0.00 3.12 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.40 0.00 20 V 7.04 3.19 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 -0.13 0.00 0.00 -0.71 0.00 0.00 21 F 6.97 4.45 0.00 1.90 1.88 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 22 G 7.62 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 0.00 0.00 0.00 23 F 7.73 4.92 0.00 3.09 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 24 R 8.72 4.79 0.00 1.90 1.78 0.00 3.11 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 25 L 8.73 4.31 0.00 1.72 1.59 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.88 4.55 0.00 1.67 1.68 0.87 0.76 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 27 L 7.47 4.69 0.00 1.68 1.42 0.95 0.86 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 28 R 8.51 5.16 0.00 1.77 1.83 0.00 3.09 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 29 Q 9.16 4.65 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 30 P 0.00 4.89 0.00 2.23 2.09 0.00 4.00 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 2.16 1.98 0.00 31 A 8.59 4.14 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 32 I 7.78 4.46 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 1.35 0.60 0.92 0.00 0.00 33 G 8.63 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 0.00 0.00 0.00 34 T 8.02 4.33 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 35 I 8.33 4.05 1.96 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 1.31 0.62 1.00 0.00 0.00 36 R 8.97 4.58 0.00 1.79 1.99 0.00 3.29 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 37 H 7.99 5.50 0.00 3.21 3.14 0.00 5.64 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 38 A 9.02 5.08 1.22 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 0.00 0.00 39 D 9.02 5.34 0.00 2.55 2.55 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 0.00 0.00 0.00 40 L 8.98 5.20 0.00 1.57 1.64 1.14 0.87 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 41 D 9.28 4.89 0.00 2.67 2.51 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 42 T 8.55 3.96 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 0.46 0.00 0.00 43 G 9.85 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 0.00 0.00 0.00 0.00 44 G 7.67 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 0.00 0.00 0.00 45 G 7.58 4.18 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 0.00 0.00 0.00 46 I 8.89 4.87 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.59 0.87 0.00 0.00 47 V 8.69 4.57 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 1.22 0.00 0.00 1.10 0.00 0.00 48 M 9.08 4.85 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 49 V 8.94 4.65 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 0.96 0.00 0.00 1.02 0.00 0.00 50 R 9.05 5.32 0.00 1.85 1.83 0.00 3.51 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 51 R 8.51 4.58 0.00 1.97 1.83 0.00 3.32 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 52 T 8.29 3.94 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 1.05 0.00 0.00 53 G 9.14 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 54 E 7.75 4.69 0.00 2.08 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 2.23 2.21 0.00 55 P 0.00 4.69 0.00 2.21 2.09 0.00 3.78 0.00 0.00 3.53 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 56 Y 8.92 4.23 0.00 2.85 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 57 T 7.41 4.43 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 1.26 0.00 0.00 58 V 8.19 3.63 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 0.78 0.00 0.00 0.91 0.00 0.00 59 S 8.11 4.63 0.00 3.94 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 60 C 8.33 4.41 0.00 2.94 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 61 A 8.62 4.06 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 62 G 7.92 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 0.00 0.00 0.00 63 G 8.36 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 64 H 8.66 4.41 0.00 3.04 3.24 0.00 5.88 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 65 T 8.04 4.60 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 1.18 0.00 0.00 66 C 8.36 4.31 0.00 2.83 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 67 K 8.87 4.54 0.00 1.36 1.47 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.71 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.16 7.81 68 Q 8.34 4.72 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 69 V 8.70 4.05 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 0.18 0.00 0.00 -0.16 0.00 0.00 70 I 7.89 4.53 1.48 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.55 0.48 0.00 0.00 71 V 8.52 4.29 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 1.22 0.00 0.00 1.01 0.00 0.00 72 W 8.74 5.74 0.00 3.02 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 73 V 9.23 4.78 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 0.99 0.00 0.00 1.06 0.00 0.00 74 S 9.10 4.15 0.00 4.01 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 75 D 7.73 4.88 0.00 2.78 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 76 V 7.98 3.90 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 0.87 0.00 0.00 1.21 0.00 0.00 77 D 8.06 4.34 0.00 2.82 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 78 E 8.34 3.99 0.00 2.23 1.97 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 2.36 2.36 0.00 79 H 8.27 3.99 0.00 3.51 3.56 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.49 3.61 0.00 2.68 3.04 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 0.00 0.00 0.00 81 M 8.06 3.90 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 82 R 7.82 3.73 0.00 1.82 1.74 0.00 3.12 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.00 83 S 7.81 3.96 0.00 3.93 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 84 T 7.52 3.60 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 0.27 0.00 0.00 85 A 7.58 3.92 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 86 A 7.53 4.12 1.07 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 0.00 0.00 0.00 87 G 7.86 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 88 A 7.46 4.28 1.43 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 0.00 0.00 0.00 89 D 8.74 4.74 0.00 2.77 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 90 I 8.38 4.49 2.02 0.00 0.00 1.00 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 0.75 1.30 0.00 0.00 91 V 9.15 4.07 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 0.83 0.00 0.00 1.06 0.00 0.00 92 Q 8.09 4.81 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 93 P 0.00 4.89 0.00 2.08 2.18 0.00 3.87 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 2.02 2.03 0.00 94 L 7.19 4.08 0.00 0.27 0.70 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.62 4.62 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 96 D 8.52 5.04 0.00 2.57 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 97 K 8.71 4.73 0.00 1.63 1.63 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.39 7.81 98 P 0.00 3.96 0.00 2.04 1.95 0.00 3.73 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 2.03 2.13 0.00 *99 W 8.59 3.44 0.00 2.71 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 0.00 0.00 0.00 0.00 100 G 8.42 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 0.00 101 L 7.43 4.08 0.00 1.90 1.57 0.91 0.78 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 0.00 102 R 8.62 5.09 0.00 1.70 1.83 0.00 3.05 0.00 0.00 3.37 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 103 Q 8.81 5.32 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 104 Y 8.91 5.46 0.00 3.45 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 0.00 105 L 9.33 5.53 0.00 1.86 1.75 1.05 0.90 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 0.00 106 V 9.17 5.23 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 1.34 0.00 0.00 1.44 0.00 0.00 107 R 9.06 5.24 0.00 1.96 1.98 0.00 3.30 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 108 D 9.18 4.07 0.00 1.95 2.89 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 0.00 109 L 6.37 3.64 0.00 1.45 1.23 0.69 0.46 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 0.00 110 E 8.05 4.04 0.00 2.15 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 1.95 2.09 0.00 111 G 7.75 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 0.00 112 H 8.30 4.51 0.00 3.58 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.84 5.13 0.00 1.56 1.76 0.94 1.17 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 0.00 114 W 9.76 4.81 0.00 3.26 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 0.00 115 E 8.92 4.78 0.00 1.95 1.70 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 2.26 2.28 0.00 116 F 8.60 5.33 0.00 2.58 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 0.00 117 T 8.98 5.09 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 0.98 0.00 0.00 118 R 9.35 5.01 0.00 1.98 1.81 0.00 3.23 0.00 0.00 3.26 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 119 H 9.40 3.52 0.00 3.11 3.36 0.00 6.10 0.00 0.00 0.00 0.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 6.37 3.34 0.00 0.27 1.01 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.