NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.3088 8.3001 118.7933 54.4444 33.5060 174.4341 2 A 4.2300 8.2952 122.4603 51.1465 20.5267 174.9068 3 N 4.4307 8.1532 111.5586 53.0562 43.4613 175.3850 4 L 4.6488 8.1594 126.6298 53.0874 41.1960 179.4490 5 E 4.8932 8.2103 128.9556 59.2803 33.8460 174.1378 6 R 4.6707 7.7681 113.5812 56.3204 32.8267 174.6316 7 T 4.7910 8.9471 120.2913 60.4479 71.9577 171.8147 8 F 5.2107 8.7667 127.0277 56.7150 41.3685 174.0984 9 I 4.4478 8.0906 127.0630 59.2013 39.9581 174.4614 10 A 4.6574 8.5338 128.6818 49.9238 22.0781 174.8091 11 I 4.3785 8.7952 124.6184 59.9458 38.4249 176.1940 12 K 4.4121 8.7822 127.2428 55.6261 33.0889 176.6154 13 P 4.5465 0.0000 0.0000 65.4452 31.2703 178.6570 14 D 4.5609 8.3220 117.2568 56.3967 39.3639 178.6687 15 G 3.7004 8.1899 107.2296 47.4189 0.0000 175.9793 16 V 3.6138 7.7366 120.0887 66.0585 31.5789 177.8647 17 Q 4.0672 8.2603 116.7336 58.9300 28.6041 178.3831 18 R 4.3890 8.1407 116.4876 54.7798 31.4073 176.7725 19 G 3.9379 7.9589 106.9224 47.3276 0.0000 174.0999 20 L 4.4586 7.8584 113.7898 54.2167 43.4872 179.6353 21 V 3.6580 7.9580 120.3188 66.1448 31.4034 178.1682 22 G 3.6389 7.9959 104.8980 47.7860 0.0000 175.1984 23 E 3.9666 8.0076 120.4794 59.1940 29.3885 179.3377 24 I 3.7945 7.7219 119.5992 64.4822 37.2260 178.5579 25 I 3.9063 7.9440 120.5163 64.3400 36.9480 178.0544 26 K 4.0275 8.3446 120.7891 59.9774 31.3791 178.6158 27 R 4.0211 8.0296 117.8543 59.5508 29.8688 179.1615 28 F 3.7146 7.9155 117.3466 60.0407 38.7253 177.7478 29 E 4.2054 8.3087 118.6242 59.5432 29.2161 179.3957 30 Q 4.0720 8.1898 116.0902 58.6590 28.5802 177.9619 31 K 3.9049 7.3225 120.4904 57.8207 32.2744 177.1690 32 G 3.9188 7.4716 104.5827 44.8667 0.0000 173.8059 33 F 5.2082 7.5009 118.7741 57.2418 40.2010 175.0242 34 R 4.9800 9.1947 117.6864 54.2661 32.1668 174.8200 35 L 3.0837 8.4840 124.7264 54.8571 41.8500 176.2468 36 V 3.9842 8.7083 128.0148 65.2093 32.8741 175.6589 37 A 4.7691 7.1401 119.5224 51.0228 22.5309 174.9479 38 M 5.4617 8.4230 119.6446 54.3897 35.4376 173.9576 39 K 4.8834 9.6189 124.3235 55.4489 36.8638 174.4368 40 F 5.5537 8.6610 123.9417 56.6477 41.2986 174.2581 41 L 4.2169 8.2627 124.3044 55.2480 44.2809 174.1049 42 R 4.2900 8.2950 120.1606 54.1258 29.9126 175.5068 43 A 3.9669 8.4758 129.5606 51.6580 18.9635 177.9337 44 S 4.4385 8.3703 118.4969 58.3625 65.1289 175.2838 45 E 3.9426 8.6816 122.4253 59.4225 29.2017 179.2895 46 E 3.8871 8.0485 119.0293 59.6307 29.8821 177.9856 47 H 3.9506 8.0576 118.1181 59.3934 29.7340 177.2103 48 L 4.0018 8.1146 120.7532 57.6120 41.2318 179.5164 49 K 4.3964 8.1450 117.8042 59.6798 32.2431 179.0737 50 Q 4.1421 8.0756 118.2510 59.3082 28.4337 178.3264 51 H 4.0861 7.8924 117.9782 58.4084 29.9697 175.8260 52 Y 5.0276 8.0531 117.8676 57.7106 39.0504 177.8229 53 I 3.6502 7.5823 123.4483 64.7574 37.1230 177.3931 54 D 4.5428 8.1505 116.2661 56.1058 41.1019 176.7040 55 L 4.7155 8.1953 119.0062 54.0822 42.6955 177.8353 56 K 2.4800 7.7270 116.7371 57.4590 32.1756 177.0743 57 D 4.6499 7.3675 118.3932 54.8338 42.9660 177.0280 58 R 3.9324 7.3525 118.4227 54.9282 30.6478 175.6139 59 P 4.2377 0.0000 0.0000 65.8818 31.5936 178.6010 60 F 4.4298 7.8018 113.1008 59.5946 37.6622 177.0692 61 F 4.1098 7.7146 121.4358 61.1312 39.2180 175.6568 62 P 4.1452 0.0000 0.0000 65.3828 31.1589 178.9798 63 G 3.5973 8.0233 104.1426 47.7182 0.0000 175.2740 64 L 3.9026 8.2462 123.4516 57.7783 41.7246 179.4138 65 V 3.5213 7.3875 117.2934 65.8072 31.2817 177.5995 66 K 4.0485 7.9554 119.4680 59.8142 31.9068 177.6317 67 Y 4.0128 8.6599 120.0970 61.2097 38.5587 177.9247 68 M 4.3018 8.4792 119.3970 57.3299 32.2351 177.1923 69 N 4.8720 7.9052 116.0513 54.1560 39.4306 176.4766 70 S 4.2907 8.1274 115.1581 60.6619 63.1556 173.8754 71 G 4.1814 6.9298 109.3681 43.2159 0.0000 170.5941 72 P 4.4708 0.0000 0.0000 62.7775 32.7522 175.5714 73 V 4.5809 8.9387 114.2457 59.6251 36.4057 174.8050 74 V 4.9110 8.5576 121.4514 61.4574 33.4915 173.9790 75 A 4.6570 8.9493 130.9497 50.9915 20.8451 175.7014 76 M 5.3931 8.6968 120.7232 53.9374 37.7042 174.2163 77 V 4.7108 8.1629 119.5031 61.0002 34.7997 174.0911 78 W 5.0794 9.0419 127.7016 54.8462 32.0917 174.2961 79 E 5.0667 10.1274 125.7704 53.7686 31.8049 175.1118 80 G 4.9468 7.8004 113.5962 45.6748 0.0000 171.3690 81 L 4.1980 8.7113 122.4458 56.1601 42.0901 175.8022 82 N 5.1112 8.8689 123.6500 54.9399 37.5583 175.8365 83 V 3.1219 7.7412 117.7735 65.6649 31.4396 177.6093 84 V 3.5341 7.9694 117.4579 65.9681 31.2350 177.8813 85 K 3.9476 7.9599 118.7349 59.8855 32.1996 178.7972 86 T 4.0594 8.1539 110.2764 64.4954 68.7379 176.6064 87 G 3.6635 8.4092 109.0528 47.9576 0.0000 175.8840 88 R 3.9870 7.8970 120.4187 58.7507 29.7825 179.3647 89 V 3.5761 7.2931 117.5984 66.2543 31.7610 177.7540 90 M 4.1350 8.1912 118.6860 58.1981 31.7096 178.7521 91 L 4.0667 8.0016 119.5256 55.8926 41.7881 177.6663 92 G 4.1676 8.2005 103.8813 44.0523 0.0000 172.5492 93 E 4.1701 7.8066 118.0228 56.2946 29.8375 177.9496 94 T 3.8222 8.5498 118.7543 66.1605 68.8923 173.7861 95 N 4.6431 7.9322 120.2614 51.3320 38.2396 173.2045 96 P 4.3845 0.0000 0.0000 65.4094 31.6673 178.7875 97 A 4.0383 8.4532 120.4674 54.3613 18.2964 177.7572 98 D 4.7831 8.2869 113.5175 54.2619 41.9368 176.7546 99 S 4.3428 7.4421 116.4216 58.2771 63.3944 174.4302 100 K 4.2773 8.6256 124.2037 55.1645 33.4609 174.6866 101 P 4.3186 0.0000 0.0000 64.2083 31.1995 175.8953 102 G 3.9703 8.9139 112.8605 45.9828 0.0000 174.9225 103 T 4.4752 7.7074 110.3709 60.1535 71.8098 175.6375 104 I 3.8700 8.2115 123.2328 65.1717 37.2751 179.1095 105 R 4.1396 8.3052 118.6639 59.2240 29.6943 179.4722 106 G 3.5984 7.9143 104.4396 47.2402 0.0000 174.7251 107 D 4.3325 7.8873 119.9863 54.9727 41.4336 177.1939 108 F 5.0280 7.8532 115.0864 57.1559 40.5715 174.3812 109 C 5.0403 8.1676 114.2739 56.6693 32.8928 173.1623 110 I 4.2925 8.4488 117.4503 62.6442 39.0602 175.9996 111 Q 4.5612 7.6459 120.5199 54.0964 30.5240 176.3390 112 V 3.6000 8.4395 123.5908 65.8735 31.9647 177.4714 113 G 3.8000 8.2788 107.8090 48.1343 0.0000 174.0445 114 R 4.6815 7.5360 118.6317 54.3823 29.3233 175.2331 115 N 4.8124 7.8887 115.1271 52.8949 38.7169 176.9681 116 I 2.7127 8.3658 110.1010 62.6634 38.7038 172.8256 117 I 5.0074 8.3987 119.5343 60.1633 41.5270 173.1861 118 H 5.0107 9.4158 125.1450 54.3377 33.2169 172.2793 119 G 4.3853 8.2928 110.7878 44.0293 0.0000 172.3896 120 S 4.6003 8.3795 119.6240 58.5648 63.4540 175.4555 121 D 4.5302 8.9862 123.1938 55.4880 40.0358 176.5317 122 S 4.6118 7.4895 113.3097 56.3697 66.6799 175.8431 123 V 3.4516 8.2810 115.8792 64.3437 31.1016 178.7996 124 K 3.9446 7.9740 118.9504 59.6655 32.1658 178.9858 125 S 4.1189 8.0696 114.9581 61.3448 62.7182 176.1398 126 A 4.3521 8.5669 125.5721 54.8852 18.1143 179.6278 127 E 4.0233 8.2674 116.5765 59.3704 29.3826 179.7031 128 K 3.9103 7.7649 118.7088 59.5746 32.2048 178.9918 129 E 3.8956 8.6078 118.9454 59.6802 29.3785 179.5756 130 I 4.0019 8.1870 120.0194 64.7389 36.9387 178.7338 131 S 4.2407 7.9423 115.0131 61.4534 62.7542 176.1629 132 L 4.0360 8.0451 122.4563 57.4370 41.8892 178.2495 133 W 4.3820 8.6542 117.6890 56.3387 29.9749 176.3567 134 F 5.1885 8.1163 116.1300 55.4363 41.8418 174.6169 135 K 4.6157 9.3541 122.8727 54.1751 33.2620 176.4033 136 P 4.4979 0.0000 0.0000 65.7567 31.0299 177.2321 137 E 4.1579 8.1194 116.9536 56.8512 29.8568 176.3788 138 E 4.2317 8.4999 117.2651 58.6351 30.1013 176.2743 139 L 4.2939 7.2106 118.5239 53.9570 41.5011 176.9588 140 V 3.9504 8.5345 125.3279 62.5444 32.4357 174.9344 141 D 5.1344 8.7291 127.3878 52.8029 42.7082 175.0096 142 Y 4.7837 8.1006 120.3417 55.8027 41.0348 173.4549 143 K 4.3764 8.4324 120.5373 53.9219 34.5035 175.5978 144 S 4.3959 8.5605 121.5387 58.3367 63.3894 175.0933 145 C 4.1785 9.0073 119.1869 60.5368 29.6778 174.1411 146 A 4.9296 7.9714 122.1393 52.3242 19.2298 177.5192 147 H 4.1787 8.5781 120.8433 60.9776 29.6152 176.9463 148 D 4.3759 8.0899 117.4089 55.7439 40.8173 177.3524 149 W 4.7446 7.9533 118.2137 57.1483 29.7596 177.3135 150 V 3.9621 7.4749 116.8156 63.3894 31.9061 174.6892 151 Y 4.4208 7.8568 120.4069 58.0551 38.6239 174.9437 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 M 8.30 4.31 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 2 A 8.30 4.23 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 3 N 8.15 4.43 0.00 2.60 2.63 0.00 0.00 6.99 7.78 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 4 L 8.16 4.65 0.00 1.64 0.89 0.80 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.21 4.89 0.00 2.22 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 2.15 2.05 0.00 6 R 7.77 4.67 0.00 1.80 1.73 0.00 3.19 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.00 7 T 8.95 4.79 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 1.20 0.00 0.00 8 F 8.77 5.21 0.00 3.21 3.11 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 9 I 8.09 4.45 1.66 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 1.03 0.29 0.57 0.00 0.00 10 A 8.53 4.66 0.72 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 11 I 8.80 4.38 1.90 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 1.21 0.78 0.93 0.00 0.00 12 K 8.78 4.41 0.00 1.88 1.85 0.00 1.85 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.45 7.81 13 P 0.00 4.55 0.00 2.27 2.20 0.00 4.01 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 2.41 2.26 0.00 14 D 8.32 4.56 0.00 2.94 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 15 G 8.19 3.70 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 0.00 16 V 7.74 3.61 2.34 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 1.36 0.00 0.00 1.17 0.00 0.00 17 Q 8.26 4.07 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 18 R 8.14 4.39 0.00 1.85 1.95 0.00 3.35 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 19 G 7.96 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 20 L 7.86 4.46 0.00 1.65 1.26 0.81 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.96 3.66 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 1.05 0.00 0.00 0.95 0.00 0.00 22 G 8.00 3.64 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 0.00 23 E 8.01 3.97 0.00 1.83 1.80 0.00 0.00 0.00 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 2.18 0.00 24 I 7.72 3.79 1.90 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 1.58 0.73 1.01 0.00 0.00 25 I 7.94 3.91 1.99 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 1.62 1.05 1.22 0.00 0.00 26 K 8.34 4.03 0.00 2.00 2.09 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.54 7.81 27 R 8.03 4.02 0.00 2.08 1.80 0.00 3.28 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.02 0.00 28 F 7.92 3.71 0.00 2.07 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 29 E 8.31 4.21 0.00 2.31 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 2.76 2.84 0.00 30 Q 8.19 4.07 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.02 0.00 0.00 0.00 0.00 0.00 2.52 2.30 0.00 31 K 7.32 3.90 0.00 1.61 1.74 0.00 1.37 0.00 0.00 1.48 0.00 0.00 3.02 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.84 0.47 7.81 32 G 7.47 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 33 F 7.50 5.21 0.00 3.20 3.33 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 34 R 9.19 4.98 0.00 1.79 2.11 0.00 2.62 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 1.67 1.60 0.00 35 L 8.48 3.08 0.00 1.19 1.40 0.77 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.71 3.98 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 0.83 0.00 0.00 0.88 0.00 0.00 37 A 7.14 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.42 5.46 0.00 1.97 1.80 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 39 K 9.62 4.88 0.00 1.90 1.98 0.00 1.17 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.30 1.43 7.81 40 F 8.66 5.55 0.00 2.93 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 41 L 8.26 4.22 0.00 1.66 1.68 0.85 0.56 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 42 R 8.29 4.29 0.00 1.67 1.82 0.00 3.20 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 43 A 8.48 3.97 1.28 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 0.00 0.00 0.00 44 S 8.37 4.44 0.00 4.01 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 45 E 8.68 3.94 0.00 2.02 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 2.39 2.36 0.00 46 E 8.05 3.89 0.00 2.01 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 2.35 2.36 0.00 47 H 8.06 3.95 0.00 3.00 3.18 0.00 5.64 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 48 L 8.11 4.00 0.00 1.94 1.91 1.06 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.15 4.40 0.00 2.02 2.16 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.85 7.81 50 Q 8.08 4.14 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 51 H 7.89 4.09 0.00 3.04 3.23 0.00 5.72 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.05 5.03 0.00 3.58 3.30 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 53 I 7.58 3.65 1.87 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 1.52 0.99 0.87 0.00 0.00 54 D 8.15 4.54 0.00 2.71 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 55 L 8.20 4.72 0.00 2.01 1.73 1.34 0.72 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 56 K 7.73 2.48 0.00 0.85 0.99 0.00 1.39 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.13 7.81 57 D 7.37 4.65 0.00 2.52 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 58 R 7.35 3.93 0.00 1.24 0.86 0.00 3.02 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 59 P 0.00 4.24 0.00 2.02 2.13 0.00 3.48 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 60 F 7.80 4.43 0.00 3.21 3.36 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 61 F 7.71 4.11 0.00 3.28 3.16 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 62 P 0.00 4.15 0.00 2.22 2.10 0.00 3.95 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 63 G 8.02 3.60 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 0.00 0.00 0.00 64 L 8.25 3.90 0.00 1.64 1.76 0.40 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.39 3.52 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 0.79 0.00 0.00 0.10 0.00 0.00 66 K 7.96 4.05 0.00 1.91 2.05 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.47 7.81 67 Y 8.66 4.01 0.00 3.31 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 68 M 8.48 4.30 0.00 2.25 2.37 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.84 0.00 69 N 7.91 4.87 0.00 2.92 3.01 0.00 0.00 6.79 7.51 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 70 S 8.13 4.29 0.00 4.00 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 71 G 6.93 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 72 P 0.00 4.47 0.00 0.86 1.72 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 73 V 8.94 4.58 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 0.88 0.00 0.00 1.20 0.00 0.00 74 V 8.56 4.91 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 0.88 0.00 0.00 1.20 0.00 0.00 75 A 8.95 4.66 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 76 M 8.70 5.39 0.00 1.59 1.83 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 77 V 8.16 4.71 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 0.84 0.00 0.00 0.38 0.00 0.00 78 W 9.04 5.08 0.00 3.13 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 79 E 10.13 5.07 0.00 2.00 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 2.31 2.44 0.00 80 G 7.80 4.95 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 0.00 0.00 0.00 81 L 8.71 4.20 0.00 1.71 1.99 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.87 5.11 0.00 3.04 2.97 0.00 0.00 7.27 7.71 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 83 V 7.74 3.12 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 0.19 0.00 0.00 1.04 0.00 0.00 84 V 7.97 3.53 2.21 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 0.99 0.00 0.00 0.99 0.00 0.00 85 K 7.96 3.95 0.00 1.89 2.09 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.52 7.81 86 T 8.15 4.06 4.39 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 1.32 0.00 0.00 87 G 8.41 3.66 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 0.00 0.00 0.00 88 R 7.90 3.99 0.00 1.92 2.01 0.00 3.31 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.00 0.00 89 V 7.29 3.58 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 0.81 0.00 0.00 0.97 0.00 0.00 90 M 8.19 4.14 0.00 1.76 1.97 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.40 0.00 91 L 8.00 4.07 0.00 1.96 1.74 1.18 0.82 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 92 G 8.20 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 0.00 0.00 0.00 0.00 93 E 7.81 4.17 0.00 2.12 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 2.39 2.46 0.00 94 T 8.55 3.82 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 1.21 0.00 0.00 95 N 7.93 4.64 0.00 2.70 2.71 0.00 0.00 7.20 7.71 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 96 P 0.00 4.38 0.00 2.38 2.26 0.00 3.71 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 97 A 8.45 4.04 1.37 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 0.00 0.00 98 D 8.29 4.78 0.00 2.61 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 99 S 7.44 4.34 0.00 3.89 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 0.00 100 K 8.63 4.28 0.00 1.65 1.68 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.39 7.81 101 P 0.00 4.32 0.00 1.88 1.94 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 102 G 8.91 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 0.00 103 T 7.71 4.48 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 1.23 0.00 0.00 104 I 8.21 3.87 1.97 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 1.72 0.95 1.11 0.00 0.00 105 R 8.31 4.14 0.00 1.95 1.99 0.00 3.38 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 106 G 7.91 3.60 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 0.00 0.00 0.00 107 D 7.89 4.33 0.00 1.58 1.54 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 0.00 0.00 0.00 0.00 108 F 7.85 5.03 0.00 3.13 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 0.00 109 C 8.17 5.04 0.00 3.20 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 0.00 110 I 8.45 4.29 1.89 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 0.71 0.92 0.00 0.00 111 Q 7.65 4.56 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 112 V 8.44 3.60 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 0.76 0.00 0.00 0.96 0.00 0.00 113 G 8.28 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.54 4.68 0.00 1.84 2.15 0.00 3.40 0.00 0.00 3.52 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 115 N 7.89 4.81 0.00 2.87 3.00 0.00 0.00 6.10 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 0.00 116 I 8.37 2.71 1.91 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 1.24 1.11 1.06 0.00 0.00 117 I 8.40 5.01 1.91 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 1.09 0.81 0.96 0.00 0.00 118 H 9.42 5.01 0.00 3.28 3.04 0.00 5.77 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 0.00 119 G 8.29 4.39 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 0.00 120 S 8.38 4.60 0.00 3.81 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 0.00 121 D 8.99 4.53 0.00 2.83 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 0.00 122 S 7.49 4.61 0.00 4.04 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 0.00 123 V 8.28 3.45 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 0.81 0.00 0.00 0.95 0.00 0.00 124 K 7.97 3.94 0.00 1.83 1.82 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.54 7.81 125 S 8.07 4.12 0.00 4.12 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 0.00 126 A 8.57 4.35 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 0.00 127 E 8.27 4.02 0.00 2.03 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 2.52 2.51 0.00 128 K 7.76 3.91 0.00 1.98 1.84 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.60 7.81 129 E 8.61 3.90 0.00 1.98 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 2.20 2.48 0.00 130 I 8.19 4.00 2.07 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 1.69 0.98 0.97 0.00 0.00 131 S 7.94 4.24 0.00 4.03 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 0.00 132 L 8.05 4.04 0.00 1.73 1.91 0.41 1.13 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 0.00 133 W 8.65 4.38 0.00 3.03 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 0.00 134 F 8.12 5.19 0.00 3.17 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 0.00 135 K 9.35 4.62 0.00 1.84 1.75 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.51 7.81 136 P 0.00 4.50 0.00 2.23 2.36 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 137 E 8.12 4.16 0.00 1.97 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 2.29 2.34 0.00 138 E 8.50 4.23 0.00 2.30 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 0.00 2.40 2.44 0.00 139 L 7.21 4.29 0.00 1.39 1.59 0.84 0.65 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 0.00 140 V 8.53 3.95 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 0.77 0.00 0.00 0.98 0.00 0.00 141 D 8.73 5.13 0.00 2.60 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 0.00 142 Y 8.10 4.78 0.00 3.05 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 0.00 143 K 8.43 4.38 0.00 1.65 1.72 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.31 7.81 144 S 8.56 4.40 0.00 4.16 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 0.00 145 C 9.01 4.18 0.00 3.19 3.20 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 0.00 146 A 7.97 4.93 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 0.00 147 H 8.58 4.18 0.00 3.41 3.40 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 0.00 148 D 8.09 4.38 0.00 2.33 2.38 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 0.00 0.00 0.00 0.00 149 W 7.95 4.74 0.00 3.41 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 0.00 150 V 7.47 3.96 1.53 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 0.18 0.00 0.00 0.90 0.00 0.00 151 Y 7.86 4.42 0.00 2.86 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 * Residues marked with a * may have inaccurate shift predictions.