NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.2904 8.3449 121.7114 55.8796 30.5311 174.5582 5 T 4.3002 8.2154 120.5805 62.6559 70.1341 171.7173 6 K 5.1326 10.6528 128.0752 53.8098 35.5071 174.3992 7 I 5.1018 8.9986 128.1785 59.4326 40.7957 174.1468 8 L 4.7993 8.0477 127.3292 53.1797 44.5315 175.0575 9 I 4.8733 8.1104 125.8933 59.8327 40.3200 174.8542 10 I 4.6858 8.7847 130.2384 60.2933 37.5520 174.1276 11 D 4.8629 8.9181 125.5136 53.2095 44.5520 176.5017 12 G 3.6728 8.9657 114.4370 47.6513 0.0000 173.8726 13 D 4.4493 8.6746 119.8273 53.7984 40.7549 176.4455 14 K 4.0394 8.3513 127.1846 58.8332 32.0825 178.7863 15 D 4.3069 8.2049 119.6530 57.1802 40.8111 177.8713 16 N 4.2039 8.3925 117.0189 57.0218 38.8576 175.9893 17 C 4.0009 7.9906 117.8243 63.1997 28.3296 176.2706 18 Q 3.9561 7.9458 118.4751 58.9735 28.3412 178.5680 19 K 3.8186 8.3970 120.9570 59.9838 32.1165 178.6229 20 L 4.0152 8.2290 119.1464 57.3020 41.4991 179.3108 21 K 4.0051 8.5175 120.3143 59.3936 32.2406 178.7915 22 G 3.7763 8.5500 106.2885 47.9371 0.0000 175.0293 23 F 3.9750 7.9780 123.1208 61.0248 39.4731 177.3164 24 L 3.9639 8.1252 118.3773 57.6163 41.3741 179.3859 25 E 4.8348 8.2744 120.1631 58.8114 29.1194 178.8519 26 E 4.0016 7.6338 118.3006 58.8128 29.7047 178.1175 27 K 4.1390 6.9079 114.4643 56.1127 32.1215 177.2342 28 G 3.8445 8.3382 107.7961 45.8552 0.0000 173.1648 29 I 4.7723 7.6568 120.3257 58.9628 39.6072 175.3007 30 S 4.7779 8.6740 121.9028 58.0822 64.5942 173.1926 31 I 5.0723 8.2630 122.9399 59.8363 40.2557 174.5573 32 D 5.0187 8.9329 126.3045 52.8934 43.6721 175.4051 33 L 5.0346 8.2578 119.3888 52.9303 45.0334 175.7053 34 A 4.4948 8.7047 125.8185 50.3209 21.2499 176.3124 35 Y 4.8818 8.9701 119.3164 57.4452 38.5984 175.1544 36 N 4.3232 7.5556 117.2807 51.3393 40.5935 174.6478 37 C 3.9666 8.4092 118.2780 63.1144 28.0898 176.3356 38 E 3.8913 8.0098 119.1798 59.5440 29.3392 178.8128 39 E 3.9950 8.2109 117.7681 59.1873 29.4164 179.1615 40 A 3.9778 8.4312 121.5282 55.1788 18.4102 179.7564 41 I 3.8353 7.9940 118.5507 64.2330 37.1732 178.9303 42 G 3.6338 8.0837 106.6812 47.7339 0.0000 175.9539 43 K 4.0894 7.8441 119.9747 59.2713 32.3312 179.1646 44 I 4.1245 8.2518 120.4746 64.6247 36.8306 178.3424 45 F 4.1408 8.5134 120.3939 60.4904 39.2357 176.3611 46 S 4.7319 7.5721 111.5927 57.2528 63.2123 172.9960 47 N 4.6907 7.2308 118.1142 52.0622 42.7146 173.4122 48 K 4.4000 7.8216 120.2754 54.7299 34.2767 174.8361 49 Y 5.1027 8.1144 122.0417 56.4881 41.5605 174.9133 50 D 4.7297 9.0954 122.2514 56.1860 42.3790 176.9285 51 L 4.6444 7.6590 118.5300 53.6757 45.9155 174.2953 52 I 4.7847 8.2329 125.7435 59.4728 40.6422 174.2826 53 F 5.0820 9.0799 126.1680 55.9411 41.1287 174.6724 54 L 4.8596 8.9561 125.1095 53.1093 44.8367 175.3063 55 E 4.3402 8.7505 127.5549 56.0448 30.3283 176.6857 56 I 3.4643 8.2241 125.2581 63.3950 37.6390 176.0098 57 I 4.2906 7.3566 121.6734 59.8361 37.3742 175.1358 58 L 4.8902 8.0092 124.6553 52.3103 45.0526 177.9623 59 S 4.1670 8.9430 116.8783 60.9026 62.7522 174.9488 60 D 4.9427 8.9760 118.2003 50.7387 39.3370 176.3986 61 G 3.9687 6.3859 107.9825 45.8621 0.0000 171.3387 62 D 5.1343 7.8772 118.2271 50.8305 43.5913 176.4528 63 G 3.7164 8.2000 108.6439 47.8134 0.0000 175.9029 64 W 4.4993 7.7816 120.4826 60.2651 29.1476 178.4956 65 T 3.9642 7.9630 114.4689 66.7771 68.0362 176.5985 66 L 3.9867 8.0082 122.2051 58.3415 41.9141 178.6630 67 C 4.1014 8.6878 119.0057 62.2438 31.3072 175.5793 68 K 3.9868 7.7086 118.5401 59.4405 31.9409 179.1183 69 K 4.1381 8.1805 118.5040 59.7543 31.9925 179.3279 70 I 3.7593 8.2486 120.2895 64.6296 36.7181 178.6381 71 R 4.2627 7.8554 119.5319 58.6973 29.9473 178.2426 72 N 4.4642 7.7581 114.9455 56.6413 38.6872 177.2978 73 V 3.8229 7.6978 117.5307 65.1084 32.1034 175.4621 74 T 4.6298 7.8090 111.2423 61.2405 70.3977 173.5566 75 T 4.5177 8.2342 113.9543 61.1222 69.7422 174.4821 76 C 4.1971 7.7925 117.8066 58.0768 30.4117 172.1407 77 P 5.1134 0.0000 0.0000 62.9150 32.3688 175.0804 78 I 4.5250 8.5818 124.2873 59.5185 39.9884 174.4008 79 V 4.6270 8.2801 128.2057 61.4944 33.8217 175.2614 80 Y 5.2584 8.8795 126.7638 56.9143 40.7935 174.2132 *82 T 4.2750 8.2467 113.1630 62.9658 68.4191 175.1221 83 Y 4.0876 8.6149 121.6387 59.9552 38.4976 176.6919 84 I 3.8713 8.0491 121.4255 61.9951 37.2930 175.4390 85 N 5.0185 8.6547 124.6287 53.0390 39.6989 174.5295 86 E 4.2429 8.1728 115.6713 55.5408 31.5932 177.0742 87 D 4.2562 8.5295 122.6975 57.6676 41.0818 179.1537 88 Q 3.9181 8.0113 118.0823 58.7536 28.5900 178.6999 89 S 4.2778 7.9219 113.6964 61.5361 62.5648 176.0951 90 I 3.5603 7.5696 122.3302 64.2766 36.7640 178.1885 91 L 3.9442 8.4187 120.1153 58.2743 41.5792 178.6561 92 N 4.1287 8.2626 116.2045 56.7675 38.2380 176.1213 93 A 4.2401 8.8414 121.8491 55.6500 18.4681 179.5620 94 L 4.1345 8.2486 117.0635 58.2846 41.5523 179.7199 95 N 4.5133 8.2989 114.9428 55.9859 38.5312 176.9927 96 S 4.5410 7.8479 114.9170 58.8173 63.0659 173.9261 97 G 3.8930 7.4287 111.4748 45.2467 0.0000 174.4023 98 G 4.1449 7.8983 108.4743 45.2391 0.0000 174.0275 99 D 4.8445 8.9555 120.6566 54.4530 42.9776 175.5605 100 D 4.7714 7.5984 115.9191 53.9118 44.7558 173.9021 101 Y 5.2760 8.8313 122.9967 56.0195 41.4359 174.0683 102 L 4.9794 9.1690 127.0282 53.0330 44.3296 176.3073 103 I 4.5598 8.4369 123.9172 60.7014 38.2786 175.7127 104 K 4.3806 8.0855 125.8142 54.1088 33.4352 175.1128 105 P 4.1806 0.0000 0.0000 62.6374 31.9587 176.0673 106 L 4.0442 8.0133 120.6804 54.2855 42.6397 176.9220 107 N 4.5227 8.3902 121.3006 52.2470 39.3596 175.3547 108 L 3.5362 8.1395 129.1900 57.9520 41.5758 179.4203 109 E 4.2381 7.9632 117.6136 59.5175 29.4747 179.3941 110 I 3.7410 8.2422 119.9290 64.0884 37.1878 178.0148 111 L 3.9511 8.3474 121.5973 58.5544 41.8363 178.3485 112 Y 4.4559 8.7430 119.3438 60.9229 38.7622 177.9115 113 A 3.7654 8.3097 121.6239 55.2033 18.3568 179.7582 114 K 4.0375 8.1130 116.8355 59.0169 32.1161 179.8548 115 V 3.6039 7.7879 118.8533 65.9517 31.4633 177.8952 116 K 3.7303 7.9921 118.1613 59.5611 31.4851 178.8842 117 A 3.9577 7.8244 120.5810 55.3908 18.0608 179.8236 118 I 3.6793 7.8040 117.1260 64.5847 37.2791 178.4679 119 L 4.1291 8.1973 119.0138 57.6699 41.2573 179.3369 120 R 4.1284 8.1458 119.7684 58.4603 30.5184 180.3403 121 R 4.2772 7.4309 117.7485 55.9370 28.9324 177.4356 *123 N 4.7405 8.1498 117.8174 53.5901 40.6980 173.7348 124 S 4.3155 7.4262 117.2839 58.4969 63.2437 173.6600 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 4 Q 8.34 4.29 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 5 T 8.22 4.30 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 1.32 0.00 0.00 6 K 10.65 5.13 0.00 1.77 1.67 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.31 7.81 7 I 9.00 5.10 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.87 1.09 0.00 0.00 8 L 8.05 4.80 0.00 0.27 0.64 0.68 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.11 4.87 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.64 0.89 0.00 0.00 10 I 8.78 4.69 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.86 0.87 0.00 0.00 11 D 8.92 4.86 0.00 2.73 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.97 3.67 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 0.00 13 D 8.67 4.45 0.00 2.73 2.83 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 14 K 8.35 4.04 0.00 1.71 1.76 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.77 1.24 7.81 15 D 8.20 4.31 0.00 2.84 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 16 N 8.39 4.20 0.00 2.96 2.95 0.00 0.00 7.12 7.65 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 17 C 7.99 4.00 0.00 3.31 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 18 Q 7.95 3.96 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 19 K 8.40 3.82 0.00 1.93 1.88 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.49 7.81 20 L 8.23 4.02 0.00 1.98 1.61 0.54 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.52 4.01 0.00 1.95 2.01 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.47 7.81 22 G 8.55 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 23 F 7.98 3.98 0.00 3.16 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 L 8.13 3.96 0.00 1.85 1.75 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.27 4.83 0.00 2.12 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 2.54 2.44 0.00 26 E 7.63 4.00 0.00 1.90 1.85 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 2.19 2.36 0.00 27 K 6.91 4.14 0.00 1.58 1.50 0.00 1.19 0.00 0.00 1.19 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.68 0.21 7.81 28 G 8.34 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 29 I 7.66 4.77 2.03 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 1.02 0.00 0.00 30 S 8.67 4.78 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 5.07 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.88 0.98 0.00 0.00 32 D 8.93 5.02 0.00 2.72 2.62 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 33 L 8.26 5.03 0.00 1.24 1.31 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.70 4.49 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 35 Y 8.97 4.88 0.00 3.27 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 36 N 7.56 4.32 0.00 3.34 2.94 0.00 0.00 6.20 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 37 C 8.41 3.97 0.00 3.09 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 38 E 8.01 3.89 0.00 2.07 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 2.30 2.34 0.00 39 E 8.21 3.99 0.00 2.16 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 2.38 2.39 0.00 40 A 8.43 3.98 1.34 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 41 I 7.99 3.84 1.99 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 1.46 0.72 0.80 0.00 0.00 42 G 8.08 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.84 4.09 0.00 1.96 2.10 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.62 7.81 44 I 8.25 4.12 2.08 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 1.57 1.59 1.03 0.00 0.00 45 F 8.51 4.14 0.00 3.27 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 46 S 7.57 4.73 0.00 3.93 3.86 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 47 N 7.23 4.69 0.00 2.19 2.04 0.00 0.00 6.64 8.70 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 48 K 7.82 4.40 0.00 1.52 1.48 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.23 1.33 7.81 49 Y 8.11 5.10 0.00 2.93 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 50 D 9.10 4.73 0.00 2.57 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 51 L 7.66 4.64 0.00 1.59 1.31 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.23 4.78 1.68 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.56 0.76 0.00 0.00 53 F 9.08 5.08 0.00 2.95 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 54 L 8.96 4.86 0.00 1.37 0.91 0.81 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.75 4.34 0.00 1.98 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 2.37 2.44 0.00 56 I 8.22 3.46 1.61 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.64 -0.15 0.00 0.00 57 I 7.36 4.29 1.87 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 1.28 0.81 0.92 0.00 0.00 58 L 8.01 4.89 0.00 1.87 1.50 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.94 4.17 0.00 3.98 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 60 D 8.98 4.94 0.00 2.78 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 61 G 6.39 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 62 D 7.88 5.13 0.00 2.92 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 63 G 8.20 3.72 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 0.00 0.00 0.00 64 W 7.78 4.50 0.00 3.72 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 65 T 7.96 3.96 4.49 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 1.28 0.00 0.00 66 L 8.01 3.99 0.00 1.78 1.67 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 67 C 8.69 4.10 0.00 2.97 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.71 3.99 0.00 2.05 1.92 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.86 7.81 69 K 8.18 4.14 0.00 2.00 1.88 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.56 7.81 70 I 8.25 3.76 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 0.90 0.00 0.00 71 R 7.86 4.26 0.00 2.01 2.02 0.00 3.32 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 72 N 7.76 4.46 0.00 2.84 2.93 0.00 0.00 7.02 8.76 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 73 V 7.70 3.82 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 0.88 0.00 0.00 1.04 0.00 0.00 74 T 7.81 4.63 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 1.27 0.00 0.00 75 T 8.23 4.52 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 76 C 7.79 4.20 0.00 3.18 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 77 P 0.00 5.11 0.00 1.98 1.97 0.00 3.97 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 2.07 1.94 0.00 78 I 8.58 4.52 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.94 0.48 0.00 0.00 79 V 8.28 4.63 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 1.02 0.00 0.00 0.76 0.00 0.00 80 Y 8.88 5.26 0.00 2.52 2.35 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 0.00 *82 T 8.25 4.27 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 0.79 0.00 0.00 83 Y 8.61 4.09 0.00 3.04 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 84 I 8.05 3.87 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 1.30 0.57 1.12 0.00 0.00 85 N 8.65 5.02 0.00 2.70 2.77 0.00 0.00 7.26 7.65 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 86 E 8.17 4.24 0.00 2.18 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 2.43 2.47 0.00 87 D 8.53 4.26 0.00 2.65 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 88 Q 8.01 3.92 0.00 2.02 2.06 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 2.41 2.31 0.00 89 S 7.92 4.28 0.00 4.16 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 0.00 90 I 7.57 3.56 1.77 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.01 0.66 0.00 0.00 91 L 8.42 3.94 0.00 1.60 1.71 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.26 4.13 0.00 2.72 2.82 0.00 0.00 7.15 8.24 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 93 A 8.84 4.24 0.74 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 94 L 8.25 4.13 0.00 1.97 1.82 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.30 4.51 0.00 2.92 2.92 0.00 0.00 7.13 7.21 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 96 S 7.85 4.54 0.00 4.26 4.08 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 97 G 7.43 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 98 G 7.90 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 99 D 8.96 4.84 0.00 2.66 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 0.00 100 D 7.60 4.77 0.00 2.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.83 5.28 0.00 3.03 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 0.00 102 L 9.17 4.98 0.00 1.50 1.57 1.02 0.97 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 0.00 103 I 8.44 4.56 1.90 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.93 0.00 0.00 104 K 8.09 4.38 0.00 0.79 0.86 0.00 1.56 0.00 0.00 1.23 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.09 1.15 7.81 105 P 0.00 4.18 0.00 2.16 2.14 0.00 3.83 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 106 L 8.01 4.04 0.00 1.49 1.48 0.69 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.39 4.52 0.00 2.70 2.67 0.00 0.00 7.18 6.66 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 0.00 108 L 8.14 3.54 0.00 0.77 0.13 0.52 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 109 E 7.96 4.24 0.00 2.16 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 0.00 2.47 2.44 0.00 110 I 8.24 3.74 1.98 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 1.42 0.70 0.93 0.00 0.00 111 L 8.35 3.95 0.00 1.64 1.85 0.47 0.85 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 0.00 112 Y 8.74 4.46 0.00 3.51 3.44 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 0.00 113 A 8.31 3.77 1.41 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 0.00 0.00 0.00 114 K 8.11 4.04 0.00 2.06 1.92 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.47 7.81 115 V 7.79 3.60 2.44 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 1.12 0.00 0.00 1.33 0.00 0.00 116 K 7.99 3.73 0.00 1.80 1.71 0.00 1.51 0.00 0.00 1.14 0.00 0.00 2.16 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.17 0.78 7.81 117 A 7.82 3.96 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 0.00 118 I 7.80 3.68 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.81 0.87 0.00 0.00 119 L 8.20 4.13 0.00 1.69 1.74 0.96 0.96 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 0.00 120 R 8.15 4.13 0.00 2.04 1.97 0.00 3.12 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 121 R 7.43 4.28 0.00 1.81 1.94 0.00 3.19 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 *123 N 8.15 4.74 0.00 2.68 2.88 0.00 0.00 7.30 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 0.00 124 S 7.43 4.32 0.00 4.17 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 * Residues marked with a * may have inaccurate shift predictions.