NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7643 8.3544 109.7368 45.3262 0.0000 172.2935 *2 S 4.2527 8.1249 119.4702 57.9581 63.6057 173.8096 3 S 4.7956 8.2498 121.0268 57.2049 62.9946 174.1980 4 N 4.3884 8.1710 117.2732 53.8269 37.8031 174.3284 5 L 4.2472 8.4513 123.7449 54.9730 42.9771 175.2114 6 H 4.8087 7.8184 119.5944 53.8977 31.2945 172.6934 7 G 4.1405 7.3017 109.5995 45.1739 0.0000 171.0662 8 I 5.0028 7.6687 119.5872 59.3013 39.8491 175.2762 9 A 4.6456 9.0384 129.5559 50.4991 20.8325 175.5568 10 I 4.6565 8.1632 121.9720 59.2189 41.1164 174.4280 11 G 4.0737 8.7854 114.8492 45.6226 0.0000 171.3102 12 I 4.7654 8.0426 120.4559 59.4292 39.0560 175.4966 13 E 4.5872 8.5667 126.1869 54.3564 33.0603 174.6446 14 R 4.9571 8.2817 120.1427 54.7379 33.4005 175.1461 15 S 4.5067 8.8659 119.5481 57.1845 64.8211 175.0360 16 Q 3.5995 8.2197 130.6070 57.5736 26.6718 174.4230 17 D 4.6848 8.9112 124.9814 54.7544 40.9492 175.0974 18 D 4.8959 7.6941 119.1001 52.4394 43.7301 175.0209 19 F 5.4500 8.5349 121.4153 56.6042 40.9930 174.6193 20 Y 4.9991 8.7491 119.0267 55.5034 42.0453 173.3907 21 L 4.7262 8.8232 123.0014 54.2340 43.7486 175.0877 22 A 5.4567 9.0031 128.0033 50.2353 21.9768 174.9304 23 F 5.3619 9.5435 120.0150 55.6258 43.6869 174.4663 24 K 4.9373 9.2297 122.2923 55.1427 35.2477 174.5520 25 A 5.1036 8.8795 130.4194 50.4213 20.5430 176.0979 26 V 4.3757 8.7673 123.0676 61.9027 34.7098 176.0691 27 G 4.0135 9.2303 114.7689 46.2743 0.0000 173.3414 28 K 4.8853 8.4756 126.7066 54.6555 33.1817 176.9000 29 L 4.6511 9.0126 129.4563 54.9605 42.9350 176.6427 30 T 4.8646 8.6608 112.1962 59.7399 71.9844 174.6327 31 H 4.7563 8.8374 122.0283 59.0718 29.7193 176.9851 32 E 4.1700 8.2302 119.9092 59.3814 29.0609 178.9308 33 D 4.3321 7.7070 118.0144 57.6278 40.9830 178.0760 34 Y 3.9356 7.7119 115.9192 60.8999 37.9044 178.0532 35 E 4.2123 8.4184 119.1777 59.4325 29.6001 180.0066 36 Q 4.0849 7.7516 113.2952 57.0128 28.7489 177.4938 *38 T 4.5227 7.8283 118.8009 63.3282 70.6426 174.5745 39 P 4.3569 0.0000 0.0000 65.5672 31.1741 178.6707 40 L 3.9573 7.8554 117.3873 57.4830 41.6938 179.0845 41 L 3.9745 7.8719 119.7695 58.3921 41.9817 178.6614 42 E 3.9794 8.4187 117.4364 59.3547 29.7460 179.1870 43 S 4.1729 8.3244 112.9944 61.4450 62.3290 175.8692 44 A 3.9818 7.9976 122.3024 54.7115 18.3626 178.6107 45 L 4.4370 7.6543 114.3104 53.2247 42.0683 176.2970 46 A 4.1461 7.2052 123.1203 53.7479 18.5733 178.7050 47 G 3.9172 8.9724 111.1925 45.2661 0.0000 173.2188 48 I 4.1705 7.3636 121.0580 60.4311 37.4659 175.5921 49 K 4.6603 8.6509 123.0825 55.8087 33.7772 175.7068 50 T 4.7392 7.4524 108.8830 58.8939 71.7816 171.8572 51 P 4.8344 0.0000 0.0000 62.5550 29.3210 175.0422 52 E 4.6200 8.1726 124.2123 56.7597 32.5310 175.8838 53 I 4.1626 7.7567 121.1092 60.3707 39.0286 175.2869 54 V 5.0286 8.3759 118.1975 59.6005 34.8130 174.4930 55 A 5.5634 9.1734 125.6616 50.1399 23.1541 174.2491 56 L 5.2362 9.3463 121.5312 53.3504 45.2793 175.4346 57 I 5.0712 8.8187 126.1492 59.6917 40.6997 174.1057 58 D 5.0534 9.3403 129.3365 52.8995 42.2974 176.3985 59 I 4.7060 8.5937 120.0410 60.7593 37.9327 177.7840 60 T 3.9593 8.7574 114.3590 64.6580 68.7023 174.7760 61 E 4.6154 8.1054 119.6492 55.6390 30.2074 174.4843 62 L 4.5725 7.6539 121.8311 54.7639 42.7852 176.2077 63 D 4.5504 9.2457 126.8001 55.0240 41.7236 176.6922 64 G 4.0014 6.7433 104.3117 45.8183 0.0000 170.7126 65 L 5.1195 8.0996 118.3995 52.4057 44.5452 176.8491 66 S 4.3097 8.7733 117.7750 57.6949 64.1123 175.2847 67 L 3.4403 8.2718 121.4266 58.3924 41.6993 178.2088 68 H 4.0277 7.8665 117.3581 59.1892 29.8040 176.7576 69 A 3.9482 8.0930 122.3315 55.1395 18.1910 179.3796 70 A 3.8179 7.9760 119.3596 55.0840 18.3499 179.9770 71 W 4.3769 7.7415 116.9894 59.9375 29.1989 178.4276 72 D 4.3511 8.1764 118.9043 57.3640 40.2313 178.2827 73 D 4.1792 7.7316 118.7355 57.3240 41.1145 178.1488 74 L 3.9129 7.8175 120.7223 57.8961 42.0587 178.7406 75 K 3.9025 8.2214 119.6668 59.5790 32.0555 178.7931 76 L 4.2206 8.3091 119.5484 57.7312 41.5224 179.7299 77 G 3.6207 8.3022 105.7723 47.8791 0.0000 175.8170 78 L 4.0553 8.0169 120.6080 57.2588 41.6525 179.2803 79 K 4.1889 7.9061 117.6486 58.3186 32.5602 177.3756 80 H 5.2181 8.6309 113.6950 55.1775 31.0590 175.8436 81 G 3.8129 8.5246 109.5529 48.3858 0.0000 175.9358 82 K 4.1409 8.1343 119.7936 58.9119 32.5551 177.2593 83 E 4.3817 8.4526 116.9125 56.8515 29.8332 175.8932 84 F 5.0161 8.4424 119.8795 55.9008 40.2838 176.5105 85 K 4.2745 8.9760 125.8535 58.8911 34.3251 177.2341 86 R 5.2751 7.8572 117.9672 54.2084 34.8593 174.5550 87 V 4.9011 9.3580 122.2036 61.1522 34.7482 173.8155 88 A 5.2132 9.3231 130.8468 51.0366 20.7059 175.5533 89 I 4.8316 9.1137 124.4726 59.8405 39.6544 174.8255 90 I 4.5561 8.7064 128.5339 59.9658 38.9184 174.3206 91 G 4.3291 8.2613 119.0890 46.5300 0.0000 171.7309 92 Q 4.8928 9.2989 119.3848 54.5566 32.2738 172.4020 93 G 4.2173 9.3215 106.7353 45.2978 0.0000 174.4615 94 E 3.9298 8.4543 118.4257 58.5990 29.5013 179.4325 95 L 4.0404 7.7796 120.4594 58.1867 42.3842 178.7678 96 Q 4.0561 7.9111 117.5475 58.4262 28.6982 178.0603 97 E 2.6342 7.0736 120.3310 58.4148 29.5799 178.4754 98 W 4.0187 8.4282 128.5849 60.6174 30.8064 177.7701 99 A 3.4962 8.2740 120.3712 55.2356 17.6761 179.7972 100 T 3.9106 7.6034 114.2219 66.7849 68.6470 177.2833 101 R 3.8840 7.8117 120.1417 58.9554 29.8939 179.3090 102 V 3.3478 7.4046 117.8769 65.9364 31.1188 177.8682 103 A 3.8988 7.8604 120.5006 55.2802 17.8598 179.1443 104 N 4.3592 7.9072 116.0044 55.7990 39.0533 176.6597 105 W 4.1350 7.7816 128.9459 60.4077 30.9014 177.7427 106 F 4.0745 8.1059 116.7814 58.3893 38.5091 175.5088 107 T 4.7136 6.8446 107.7777 58.7955 70.8883 173.7438 108 P 4.2937 0.0000 0.0000 65.6273 31.8097 177.1726 109 G 4.1568 7.9978 104.4925 45.1166 0.0000 172.8466 110 E 4.9584 9.2991 122.6567 55.1405 30.8656 174.7872 111 F 5.3437 9.9316 127.1774 56.1503 40.7001 175.5760 112 K 4.4523 9.0665 124.0934 54.5317 35.6748 174.5116 113 F 5.0899 8.4365 128.7442 57.3087 40.6703 174.5734 114 F 4.5924 8.6886 123.0824 56.0175 43.0688 175.1524 115 E 4.3838 8.8049 118.2532 56.0663 31.1813 176.4761 116 D 4.8096 7.7697 118.3292 52.0742 43.1906 176.3590 117 K 3.8376 8.7165 130.3374 60.3924 32.3135 179.4585 118 R 3.9044 7.9252 120.2561 61.4741 29.4798 180.0716 119 D 4.5015 8.7773 119.9356 57.0819 40.8460 178.8145 120 A 2.0000 7.5543 121.0505 54.5997 18.4487 179.8057 121 L 3.8660 8.1421 117.6587 57.5656 41.3161 179.3194 122 D 4.2638 7.6931 117.6607 57.0475 41.2566 177.7923 123 W 4.2766 7.8089 127.4702 60.0757 30.8123 177.5970 124 L 3.6263 8.3287 119.8830 57.7990 41.7009 176.4365 125 C 4.1999 7.5080 119.0114 59.7383 28.2881 173.4782 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 0 G 8.35 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 *2 S 8.12 4.25 0.00 3.87 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 3 S 8.25 4.80 0.00 3.96 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 4 N 8.17 4.39 0.00 2.88 2.89 0.00 0.00 6.27 7.79 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 5 L 8.45 4.25 0.00 1.76 1.59 0.91 0.92 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 6 H 7.82 4.81 0.00 3.37 3.24 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 7 G 7.30 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 8 I 7.67 5.00 1.77 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.54 0.98 0.00 0.00 9 A 9.04 4.65 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 10 I 8.16 4.66 1.76 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 0.98 0.35 0.84 0.00 0.00 11 G 8.79 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 12 I 8.04 4.77 1.69 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.53 0.77 0.00 0.00 13 E 8.57 4.59 0.00 1.16 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 2.06 1.97 0.00 14 R 8.28 4.96 0.00 1.69 1.71 0.00 2.92 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.13 0.00 15 S 8.87 4.51 0.00 3.90 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 16 Q 8.22 3.60 0.00 2.20 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 7.13 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 17 D 8.91 4.68 0.00 2.58 2.59 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 18 D 7.69 4.90 0.00 2.67 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 19 F 8.53 5.45 0.00 2.94 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 20 Y 8.75 5.00 0.00 3.11 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 21 L 8.82 4.73 0.00 1.87 1.79 0.77 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 22 A 9.00 5.46 1.25 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 0.00 0.00 0.00 23 F 9.54 5.36 0.00 2.98 2.93 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 24 K 9.23 4.94 0.00 1.83 1.65 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 25 A 8.88 5.10 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 26 V 8.77 4.38 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 1.05 0.00 0.00 0.95 0.00 0.00 27 G 9.23 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 28 K 8.48 4.89 0.00 1.74 1.71 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.47 7.81 29 L 9.01 4.65 0.00 1.81 1.75 1.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.66 4.86 4.45 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 1.20 0.00 0.00 31 H 8.84 4.76 0.00 3.08 3.33 0.00 5.91 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 32 E 8.23 4.17 0.00 2.14 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 2.43 2.49 0.00 33 D 7.71 4.33 0.00 2.80 2.64 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 34 Y 7.71 3.94 0.00 3.19 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 35 E 8.42 4.21 0.00 2.04 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 2.31 2.23 0.00 36 Q 7.75 4.08 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 *38 T 7.83 4.52 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 1.33 0.00 0.00 39 P 0.00 4.36 0.00 2.16 2.11 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 40 L 7.86 3.96 0.00 1.67 1.66 0.89 0.50 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 41 L 7.87 3.97 0.00 1.89 1.94 1.25 1.14 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 42 E 8.42 3.98 0.00 2.09 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 2.42 2.49 0.00 43 S 8.32 4.17 0.00 3.92 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 44 A 8.00 3.98 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 45 L 7.65 4.44 0.00 1.73 1.67 1.01 0.85 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 46 A 7.21 4.15 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 47 G 8.97 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 48 I 7.36 4.17 1.95 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 1.25 0.57 0.86 0.00 0.00 49 K 8.65 4.66 0.00 1.69 1.76 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.38 7.81 50 T 7.45 4.74 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 51 P 0.00 4.83 0.00 2.20 2.30 0.00 3.44 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 52 E 8.17 4.62 0.00 1.76 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 2.23 2.20 0.00 53 I 7.76 4.16 1.10 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.43 0.49 0.00 0.00 54 V 8.38 5.03 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 0.73 0.00 0.00 0.98 0.00 0.00 55 A 9.17 5.56 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 0.00 0.00 0.00 0.00 0.00 56 L 9.35 5.24 0.00 1.67 1.74 0.83 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.82 5.07 1.93 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.66 0.92 0.00 0.00 58 D 9.34 5.05 0.00 2.77 2.63 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 59 I 8.59 4.71 1.95 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 1.62 0.68 0.99 0.00 0.00 60 T 8.76 3.96 4.28 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 0.00 0.00 0.00 1.32 0.00 0.00 61 E 8.11 4.62 0.00 2.05 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 2.31 2.28 0.00 62 L 7.65 4.57 0.00 1.82 1.77 1.09 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 63 D 9.25 4.55 0.00 2.77 2.69 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 64 G 6.74 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 0.00 0.00 0.00 65 L 8.10 5.12 0.00 1.55 1.50 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.77 4.31 0.00 3.90 4.04 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 67 L 8.27 3.44 0.00 1.47 1.36 0.16 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 68 H 7.87 4.03 0.00 3.15 3.23 0.00 5.75 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.09 3.95 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.98 3.82 1.15 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 0.00 0.00 71 W 7.74 4.38 0.00 3.65 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 72 D 8.18 4.35 0.00 2.24 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 73 D 7.73 4.18 0.00 2.41 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 74 L 7.82 3.91 0.00 1.81 1.84 0.86 0.75 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 75 K 8.22 3.90 0.00 1.88 2.06 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.50 7.81 76 L 8.31 4.22 0.00 1.95 1.85 1.21 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.30 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 78 L 8.02 4.06 0.00 1.76 1.75 0.91 1.10 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 79 K 7.91 4.19 0.00 1.67 1.63 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.67 7.81 80 H 8.63 5.22 0.00 3.37 3.58 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.52 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 82 K 8.13 4.14 0.00 1.77 1.93 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.57 7.81 83 E 8.45 4.38 0.00 2.39 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 2.47 2.43 0.00 84 F 8.44 5.02 0.00 3.37 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 85 K 8.98 4.27 0.00 1.83 2.19 0.00 1.20 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.49 1.36 7.81 86 R 7.86 5.28 0.00 1.50 1.46 0.00 2.21 0.00 0.00 2.63 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.40 0.00 87 V 9.36 4.90 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 0.66 0.00 0.00 0.53 0.00 0.00 88 A 9.32 5.21 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 89 I 9.11 4.83 2.10 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 1.43 1.39 1.12 0.00 0.00 90 I 8.71 4.56 1.88 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 1.12 0.76 0.88 0.00 0.00 91 G 8.26 4.33 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 0.00 92 Q 9.30 4.89 0.00 2.02 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.39 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 93 G 9.32 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 0.00 0.00 0.00 94 E 8.45 3.93 0.00 1.98 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 2.37 2.35 0.00 95 L 7.78 4.04 0.00 1.71 1.65 0.73 0.78 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 96 Q 7.91 4.06 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.69 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 97 E 7.07 2.63 0.00 1.16 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 0.00 2.12 2.07 0.00 98 W 8.43 4.02 0.00 3.38 3.39 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 99 A 8.27 3.50 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 0.00 100 T 7.60 3.91 4.43 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 1.43 0.00 0.00 101 R 7.81 3.88 0.00 1.82 1.87 0.00 3.10 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 102 V 7.40 3.35 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 0.95 0.00 0.00 -0.21 0.00 0.00 103 A 7.86 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 7.91 4.36 0.00 2.94 3.05 0.00 0.00 7.10 7.53 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 0.00 105 W 7.78 4.14 0.00 3.22 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 0.00 106 F 8.11 4.07 0.00 3.13 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 0.00 107 T 6.84 4.71 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 0.95 0.00 0.00 108 P 0.00 4.29 0.00 2.26 2.24 0.00 3.85 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 2.09 2.02 0.00 109 G 8.00 4.16 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 0.00 110 E 9.30 4.96 0.00 2.25 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 0.00 2.54 2.65 0.00 111 F 9.93 5.34 0.00 3.00 3.06 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 0.00 112 K 9.07 4.45 0.00 1.05 0.74 0.00 0.92 0.00 0.00 0.61 0.00 0.00 2.43 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.30 0.82 7.81 113 F 8.44 5.09 0.00 2.94 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 0.00 114 F 8.69 4.59 0.00 2.76 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 0.00 115 E 8.80 4.38 0.00 1.95 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 2.42 2.27 0.00 116 D 7.77 4.81 0.00 2.78 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 0.00 117 K 8.72 3.84 0.00 1.83 1.76 0.00 1.79 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 118 R 7.93 3.90 0.00 1.86 1.92 0.00 3.31 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 1.63 1.29 0.00 119 D 8.78 4.50 0.00 2.87 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 0.00 120 A 7.55 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.14 3.87 0.00 1.49 1.53 0.84 0.01 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 0.00 122 D 7.69 4.26 0.00 2.74 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 0.00 123 W 7.81 4.28 0.00 3.45 3.29 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 0.00 124 L 8.33 3.63 0.00 1.77 1.49 1.06 0.83 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 0.00 125 C 7.51 4.20 0.00 2.94 2.90 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 * Residues marked with a * may have inaccurate shift predictions.