NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.2331 8.0433 122.4776 54.6343 43.3334 177.4415 5 E 3.8567 8.9770 126.1385 59.1623 29.5432 176.2416 6 N 4.7443 8.2045 113.4117 53.3390 39.7674 175.0260 7 C 4.7108 7.6806 118.6324 54.9696 46.1911 174.3328 8 V 3.5539 8.3113 128.6727 65.1172 30.8754 178.4711 9 F 4.4555 7.9362 117.7519 60.6792 39.0314 178.4058 10 C 4.4664 8.3708 115.5546 59.7987 41.1243 176.3146 11 K 4.0728 8.4792 120.6566 59.4804 31.7968 179.2043 12 I 3.7146 7.9292 120.0964 64.7320 36.8011 178.5130 13 I 3.7732 7.7874 119.4417 63.8425 36.9719 177.6393 14 K 4.3244 7.3536 115.1722 55.6337 32.0675 176.9955 15 R 3.9283 7.5297 116.7207 57.4223 27.7869 177.1535 16 E 4.2995 8.2323 118.0151 57.4979 29.9734 176.7038 17 L 4.8213 7.3882 117.2088 51.8653 45.6726 174.0951 18 P 4.5143 0.0000 0.0000 62.7678 32.1867 174.8124 19 S 4.3842 7.5930 111.6180 58.1670 64.9651 174.8981 20 T 4.3210 7.8893 116.5960 61.8775 70.9096 173.4007 21 I 4.5624 8.0319 127.8938 59.9801 38.1318 175.3839 22 Y 4.6743 8.9144 125.4750 59.2967 38.9934 175.4344 23 Y 4.7831 7.7622 118.8910 56.7117 42.3817 173.0226 24 E 4.8637 7.1170 124.4038 55.1785 32.8516 174.1021 25 D 4.4766 8.0906 123.6941 52.5500 41.6772 174.5548 26 E 4.1654 8.8396 115.5152 58.5148 30.1642 177.2756 27 R 4.5690 9.4495 119.5845 56.6664 32.5514 175.8493 28 V 5.0767 7.5953 115.2856 60.2955 35.1843 173.8384 29 I 5.1627 9.1991 121.6234 59.3729 42.1273 173.5120 30 A 5.3338 9.2816 129.8401 50.1569 21.8562 175.1600 31 I 4.9334 8.5328 115.2367 58.4481 41.7538 174.6544 32 K 4.5240 8.3615 125.0638 56.4575 32.7480 175.8289 33 D 4.6706 8.5713 128.2084 53.7602 41.1616 176.4160 34 I 3.9830 8.6657 119.3053 62.5562 38.4384 175.9190 35 N 5.0054 8.4074 119.1142 50.8775 38.1956 172.0200 36 P 4.4566 0.0000 0.0000 62.4693 32.4694 176.7441 37 A 4.4766 8.8576 123.3599 52.4464 19.6972 176.4003 38 A 4.6868 7.5068 116.6967 49.8970 22.2870 174.3564 39 P 4.3028 0.0000 0.0000 65.0745 31.6924 177.1340 40 V 4.3396 7.9982 118.7153 61.2201 33.9189 174.4064 41 H 5.3370 8.8026 127.4283 54.7966 32.8749 171.7392 42 V 5.0068 9.0553 126.1551 61.0383 35.1232 174.0162 43 L 5.0768 8.9843 126.9806 53.1781 44.0978 175.3287 44 I 4.7532 8.9277 125.9891 59.9243 39.1464 174.8816 45 I 4.9687 8.9711 128.5859 58.3972 40.2644 173.3844 46 P 4.8191 0.0000 0.0000 62.7711 31.2409 176.8145 47 K 4.1919 8.9834 123.9283 59.3249 32.7152 177.6661 48 E 3.9628 8.1513 120.7664 56.0236 30.0646 175.4521 49 H 4.1607 8.7862 126.6524 55.2418 29.6773 173.9718 50 I 4.6404 7.6099 119.5610 58.5147 40.6332 176.5101 51 A 4.4959 9.0374 124.4761 54.6026 18.6509 176.9597 52 N 4.4298 7.3713 110.3453 52.6605 39.7398 175.3186 53 V 3.7497 7.9426 110.3613 63.9814 31.7495 178.5228 54 K 3.8993 7.5176 120.3070 59.0591 31.9562 176.9786 55 E 4.4414 7.9726 115.8597 56.1945 29.7942 176.3279 56 I 4.2281 7.5441 121.3478 61.1693 37.9568 174.8176 57 N 4.8852 9.5570 123.3169 52.1365 40.4217 175.4551 58 E 3.9625 8.9850 113.8107 59.3841 29.5940 175.4984 59 S 4.3278 8.0655 112.8114 60.4870 62.7996 174.2928 60 N 4.9881 8.1269 113.4050 51.4289 38.4191 175.5902 61 A 4.1055 8.2323 122.4669 55.3559 18.3513 179.8454 62 Q 4.0602 8.1326 116.0917 58.6255 28.6539 178.2868 63 I 3.9666 7.6073 121.0756 63.4373 37.9285 177.5279 64 L 4.0626 8.0062 119.9250 57.9198 41.3774 179.7391 65 I 3.7168 7.6681 119.1108 64.4122 36.5953 177.9859 66 D 4.3512 8.1003 119.2020 57.5028 40.7128 178.7193 67 I 3.6647 8.0433 120.4373 65.0072 37.1442 178.2871 68 H 4.0851 8.2401 116.6984 58.1413 28.5090 177.6568 69 K 3.7579 8.4488 121.9003 59.5753 32.0089 178.6771 70 A 3.4580 8.0463 120.8256 54.8152 18.2689 179.1507 71 A 3.7667 7.8041 119.2897 55.5703 18.4853 179.6951 72 N 4.1835 8.1327 114.7007 56.2335 38.5258 177.6950 73 K 4.0391 7.9304 121.0382 59.4583 32.3241 179.1234 74 V 3.4732 8.0985 118.8007 65.7231 31.3436 177.6452 75 A 3.7671 7.7425 120.8343 55.0779 18.0551 179.5232 76 E 3.8582 7.9633 115.5654 59.6072 29.6213 178.7392 77 D 4.3080 7.9926 119.2401 57.1472 40.9156 177.7447 78 L 4.1588 8.2547 115.5612 54.2652 41.5944 176.8625 79 G 3.8767 8.0251 107.0420 47.0115 0.0000 174.6997 80 I 4.3528 7.7827 111.9743 60.0211 39.1340 177.2475 81 A 4.2189 8.1241 124.0630 55.5547 18.5454 178.7127 82 E 4.1522 8.2368 114.1900 59.5138 29.7351 178.6081 83 K 3.9849 7.9276 116.6047 57.7565 32.4605 175.9412 84 G 3.7292 8.3646 103.5143 44.6752 0.0000 171.4803 85 Y 4.9865 7.4163 115.2741 56.1736 40.8074 173.7284 86 R 4.7493 9.2644 120.5443 54.5309 33.0812 174.1095 87 L 5.4714 8.7012 125.0945 53.2054 44.1667 175.8404 88 I 4.7239 9.0973 123.8493 59.7626 41.0578 174.3178 89 T 4.5499 8.2996 120.0787 60.1156 70.1354 172.5678 90 N 4.9584 8.5349 124.0279 51.4854 41.7575 173.8535 91 C 4.6641 8.6765 118.4437 60.0891 30.6502 175.1075 92 G 4.3273 9.0749 110.1167 45.4004 0.0000 174.3066 93 V 3.9184 8.5092 112.0411 64.0870 31.8765 178.9360 94 A 3.9011 8.1217 121.4325 54.7513 18.3149 177.6855 95 A 4.2818 8.0389 116.3309 52.2201 18.8850 177.9976 96 G 3.9132 8.2698 105.0923 45.4134 0.0000 173.9393 97 Q 4.0062 7.7772 121.5878 55.9155 29.3730 175.7677 98 T 4.5257 8.3697 113.4880 61.1257 70.9650 173.8303 99 V 4.1231 7.5409 121.3055 61.1048 33.2567 175.9797 100 F 4.3383 8.5596 130.8019 57.2298 38.3496 175.5291 101 H 5.0035 7.4681 118.7910 53.6600 32.5319 172.0383 102 L 4.1040 8.8439 129.1200 56.3586 42.0853 175.9208 103 H 5.2506 8.6625 119.8615 54.7396 31.8868 172.0035 104 Y 4.6372 8.8219 117.4939 56.8293 40.3860 174.4662 105 H 5.1769 9.5435 121.6646 54.8398 30.7154 173.8580 106 L 5.0282 9.3339 126.3925 53.5025 43.7654 174.9042 107 L 5.1692 8.6273 126.7221 53.2690 45.3754 176.3185 108 G 3.9677 9.0505 108.6353 46.5338 0.0000 174.1899 109 G 4.1166 10.7801 108.2196 45.1435 0.0000 173.5549 110 V 4.4265 6.9600 116.6879 60.0021 34.0361 173.6059 111 D 4.4178 8.3892 121.4402 53.8282 42.0531 175.1474 *113 G 3.8475 8.0405 109.5926 44.6991 0.0000 170.5239 114 P 4.1894 0.0000 0.0000 66.0351 31.4939 176.5873 115 K 3.9283 7.9097 120.9119 54.5203 30.8196 178.2447 116 I 3.9845 8.1114 124.0987 60.4321 37.9431 175.6889 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 L 8.04 4.23 0.00 1.28 1.41 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.98 3.86 0.00 2.06 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 2.30 2.33 0.00 6 N 8.20 4.74 0.00 2.69 2.81 0.00 0.00 6.75 7.66 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 7 C 7.68 4.71 0.00 3.06 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 8 V 8.31 3.55 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 0.59 0.00 0.00 0.99 0.00 0.00 9 F 7.94 4.46 0.00 2.88 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 10 C 8.37 4.47 0.00 3.20 3.26 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 0.00 11 K 8.48 4.07 0.00 2.00 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.61 1.70 7.81 12 I 7.93 3.71 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.29 0.86 0.00 0.00 13 I 7.79 3.77 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.54 0.92 0.00 0.00 14 K 7.35 4.32 0.00 1.90 1.84 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.23 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.64 7.81 15 R 7.53 3.93 0.00 1.98 2.04 0.00 3.18 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 16 E 8.23 4.30 0.00 1.97 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 2.32 2.28 0.00 17 L 7.39 4.82 0.00 1.58 1.51 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.51 0.00 2.15 2.05 0.00 3.80 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 1.97 1.94 0.00 19 S 7.59 4.38 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.89 4.32 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 0.85 0.00 0.00 21 I 8.03 4.56 1.74 0.00 0.00 0.77 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 0.43 0.86 0.00 0.00 22 Y 8.91 4.67 0.00 2.87 2.97 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 23 Y 7.76 4.78 0.00 3.12 2.82 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 24 E 7.12 4.86 0.00 1.73 1.51 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 2.06 2.18 0.00 25 D 8.09 4.48 0.00 2.76 2.54 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 26 E 8.84 4.17 0.00 2.10 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 2.29 2.28 0.00 27 R 9.45 4.57 0.00 1.97 2.01 0.00 3.13 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 28 V 7.60 5.08 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 0.91 0.00 0.00 1.01 0.00 0.00 29 I 9.20 5.16 1.83 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 1.08 1.52 0.87 0.00 0.00 30 A 9.28 5.33 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 31 I 8.53 4.93 1.72 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.04 0.77 0.00 0.00 32 K 8.36 4.52 0.00 1.81 1.71 0.00 1.93 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.52 7.81 33 D 8.57 4.67 0.00 2.53 2.33 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 I 8.67 3.98 1.88 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 1.43 0.73 0.91 0.00 0.00 35 N 8.41 5.01 0.00 2.68 2.80 0.00 0.00 6.99 7.73 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 36 P 0.00 4.46 0.00 2.15 2.05 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.30 0.00 37 A 8.86 4.48 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 38 A 7.51 4.69 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 39 P 0.00 4.30 0.00 2.05 2.15 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 40 V 8.00 4.34 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 0.84 0.00 0.00 0.87 0.00 0.00 41 H 8.80 5.34 0.00 3.35 3.11 0.00 5.68 0.00 0.00 0.00 0.00 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 9.06 5.01 2.08 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 1.09 0.00 0.00 0.89 0.00 0.00 43 L 8.98 5.08 0.00 1.33 1.33 0.75 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.93 4.75 1.91 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 1.18 0.81 0.97 0.00 0.00 45 I 8.97 4.97 1.69 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.38 0.78 0.00 0.00 46 P 0.00 4.82 0.00 2.16 2.13 0.00 4.10 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 47 K 8.98 4.19 0.00 1.68 1.96 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.53 7.81 48 E 8.15 3.96 0.00 1.96 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 2.32 2.32 0.00 49 H 8.79 4.16 0.00 3.16 3.23 0.00 5.92 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.61 4.64 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.79 0.93 0.00 0.00 51 A 9.04 4.50 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 52 N 7.37 4.43 0.00 2.85 2.95 0.00 0.00 6.25 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 53 V 7.94 3.75 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 0.83 0.00 0.00 0.90 0.00 0.00 54 K 7.52 3.90 0.00 1.72 1.90 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.45 7.81 55 E 7.97 4.44 0.00 2.13 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 2.33 2.45 0.00 56 I 7.54 4.23 2.05 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 1.46 0.80 0.95 0.00 0.00 57 N 9.56 4.89 0.00 2.89 2.91 0.00 0.00 6.89 8.09 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 58 E 8.99 3.96 0.00 2.00 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 2.24 1.91 0.00 59 S 8.07 4.33 0.00 3.85 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 60 N 8.13 4.99 0.00 2.95 2.97 0.00 0.00 6.16 8.04 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 61 A 8.23 4.11 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 62 Q 8.13 4.06 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 63 I 7.61 3.97 1.91 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 1.59 2.11 0.99 0.00 0.00 64 L 8.01 4.06 0.00 1.88 1.76 0.97 1.04 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 65 I 7.67 3.72 2.05 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 1.50 0.54 0.90 0.00 0.00 66 D 8.10 4.35 0.00 2.88 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 67 I 8.04 3.66 1.97 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 1.56 1.02 0.66 0.00 0.00 68 H 8.24 4.09 0.00 3.16 3.28 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 69 K 8.45 3.76 0.00 1.82 1.91 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.38 7.81 70 A 8.05 3.46 1.11 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 71 A 7.80 3.77 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 72 N 8.13 4.18 0.00 2.96 2.84 0.00 0.00 6.70 6.47 0.00 0.00 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 K 7.93 4.04 0.00 1.65 1.56 0.00 1.56 0.00 0.00 1.49 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.38 7.81 74 V 8.10 3.47 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 0.61 0.00 0.00 1.03 0.00 0.00 75 A 7.74 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 7.96 3.86 0.00 2.23 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 2.45 2.32 0.00 77 D 7.99 4.31 0.00 2.76 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 78 L 8.25 4.16 0.00 1.38 1.50 0.18 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.03 3.88 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 0.00 0.00 0.00 80 I 7.78 4.35 1.90 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 1.14 0.87 0.91 0.00 0.00 81 A 8.12 4.22 1.35 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 0.00 0.00 82 E 8.24 4.15 0.00 1.98 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 2.32 2.34 0.00 83 K 7.93 3.98 0.00 1.76 1.87 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.44 7.81 84 G 8.36 3.73 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 0.00 0.00 0.00 85 Y 7.42 4.99 0.00 3.08 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 86 R 9.26 4.75 0.00 1.89 1.83 0.00 3.06 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 87 L 8.70 5.47 0.00 1.72 1.85 0.93 0.87 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 88 I 9.10 4.72 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.05 0.85 0.00 0.00 89 T 8.30 4.55 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 0.76 0.00 0.00 90 N 8.53 4.96 0.00 2.57 2.64 0.00 0.00 6.77 7.66 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 91 C 8.68 4.66 0.00 2.90 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 92 G 9.07 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 93 V 8.51 3.92 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 0.89 0.00 0.00 0.98 0.00 0.00 94 A 8.12 3.90 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 95 A 8.04 4.28 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 96 G 8.27 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 0.00 0.00 0.00 0.00 97 Q 7.78 4.01 0.00 1.78 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.71 0.00 0.00 0.00 0.00 0.00 1.65 1.96 0.00 98 T 8.37 4.53 4.27 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 1.30 0.00 0.00 99 V 7.54 4.12 1.59 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 -0.24 0.00 0.00 0.61 0.00 0.00 100 F 8.56 4.34 0.00 3.15 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 0.00 101 H 7.47 5.00 0.00 3.03 3.10 0.00 5.79 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 0.00 102 L 8.84 4.10 0.00 1.72 1.75 0.92 1.10 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 0.00 103 H 8.66 5.25 0.00 3.21 3.25 0.00 5.56 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 8.82 4.64 0.00 2.96 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 0.00 105 H 9.54 5.18 0.00 3.06 3.27 0.00 5.59 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.33 5.03 0.00 1.65 1.65 0.41 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.63 5.17 0.00 1.61 1.49 0.88 0.61 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 0.00 108 G 9.05 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 0.00 109 G 10.78 4.12 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 0.00 0.00 0.00 110 V 6.96 4.43 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 0.69 0.00 0.00 0.93 0.00 0.00 111 D 8.39 4.42 0.00 2.64 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 *113 G 8.04 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 0.00 0.00 0.00 114 P 0.00 4.19 0.00 2.19 2.18 0.00 3.78 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 1.98 1.95 0.00 115 K 7.91 3.93 0.00 1.80 1.72 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.01 7.81 116 I 8.11 3.98 1.87 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 1.27 1.22 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.