NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.5068 8.1693 120.6424 54.9419 43.1296 175.7857 8 H 4.8566 8.6062 116.2977 53.1161 31.4002 171.5487 9 K 4.5662 9.2984 122.7675 56.2405 34.0150 177.2569 10 E 5.0019 9.1058 122.9811 53.7073 33.3779 173.9076 11 P 5.0068 0.0000 0.0000 63.3207 32.4329 174.9758 12 A 4.8998 8.3063 120.9540 51.5018 22.9846 175.6643 13 T 4.6264 8.4489 115.4110 61.2742 71.9719 173.7741 14 L 4.2476 8.6961 128.4352 55.7549 42.3331 175.6744 15 I 4.3723 8.3371 126.2161 62.2987 39.3588 176.2258 16 K 4.3570 7.5375 118.8883 55.5342 35.5094 173.8656 17 A 4.5570 8.7871 130.9216 51.9031 19.4553 176.7658 18 I 4.1297 8.2295 123.9517 62.6844 38.3763 175.1729 19 D 4.4673 6.9950 114.6343 53.6178 42.9531 175.0283 20 G 3.9750 9.2156 107.7938 49.0263 0.0000 174.0917 21 D 4.7939 8.1664 117.4422 52.7809 40.6555 175.4365 22 T 5.3349 8.1125 110.7554 60.2051 72.4494 173.3115 23 V 4.7207 8.7493 122.5049 60.1212 35.5844 173.4915 24 K 5.0435 9.1904 124.9207 55.2760 33.7383 175.2119 25 L 5.2998 9.3140 126.7693 53.1458 46.6817 175.3316 26 M 4.8540 9.2879 121.8914 54.8473 33.5025 174.1586 27 Y 5.0086 9.1769 128.6999 55.9920 41.6955 175.8113 28 K 3.4034 9.4633 127.2707 57.4716 29.6946 176.0521 29 G 4.0459 8.6289 105.7462 45.0765 0.0000 173.3266 30 Q 4.8432 7.9126 117.5744 53.2931 32.1714 173.1939 31 P 4.9995 0.0000 0.0000 63.6268 32.4083 175.1554 32 M 4.7949 9.3041 120.9291 54.9188 36.3789 173.2572 33 T 4.9371 8.4816 121.9052 62.7539 70.6229 173.5827 34 F 5.0709 9.5174 124.9519 55.5614 42.5067 174.2544 35 R 5.0230 9.1476 123.2549 54.1797 32.2656 175.0085 36 L 4.2715 8.7084 127.7336 54.7365 42.3465 177.3656 37 L 3.8948 8.6535 124.5580 55.3690 42.8913 177.4358 38 L 3.6889 8.7329 119.7279 55.5283 39.5773 174.0473 39 V 4.9407 7.3246 109.3471 59.6339 35.2921 175.2780 40 D 4.9262 9.1565 123.8447 52.9853 43.2931 174.9892 41 T 4.8811 8.3006 113.6663 58.9527 71.1479 172.8585 42 P 4.3787 0.0000 0.0000 62.8514 32.6196 175.8424 43 E 4.0344 9.5192 124.1628 56.8937 30.9412 176.5418 44 T 4.5191 8.3183 119.9921 62.0986 68.8380 174.0630 *51 V 3.9129 8.0737 125.1241 62.2748 32.3846 174.6263 52 E 4.2477 8.7653 127.9635 55.5879 31.0369 176.4802 53 K 4.0055 8.3091 122.8346 57.9392 32.6884 176.6360 54 Y 4.5357 8.0946 122.7071 59.2893 36.0267 171.2824 55 G 3.7516 8.1173 108.3971 47.2986 0.0000 174.4218 56 P 4.3566 0.0000 0.0000 65.1295 31.3117 178.3612 57 E 3.9699 8.1996 117.8588 59.2776 29.5612 178.8182 58 A 4.0440 8.2870 120.9744 55.3240 17.9720 179.8505 59 S 4.1582 8.2118 113.3546 61.8299 62.8638 176.8825 60 A 4.0841 8.2985 123.5713 54.9010 18.0888 179.3632 61 F 4.0879 8.4548 119.2285 61.8706 39.5158 177.3784 62 T 3.7682 8.1443 115.1831 66.4615 68.2112 176.3819 63 K 3.8395 8.1956 121.4922 59.4969 32.1600 178.6808 64 K 3.8593 8.2151 120.0701 59.6825 31.8728 178.4167 65 M 3.8630 7.5802 117.4235 58.4930 31.8454 177.8110 66 E 4.0811 8.2373 118.7621 59.4107 29.5751 179.1347 67 E 4.0288 8.2911 117.5626 59.0085 29.6389 177.7217 68 N 4.5489 7.7292 113.6196 53.6693 39.1762 175.4787 69 A 4.4201 7.2596 120.8246 51.9840 19.1068 177.8086 70 K 4.2188 8.9224 120.9398 58.2694 32.8206 178.0954 71 K 4.7190 8.7713 117.7131 54.4808 36.2254 175.6283 72 I 5.0337 8.3882 124.3271 59.6062 40.3860 174.3679 73 E 5.1642 9.2765 124.9340 54.6713 33.9758 174.9388 74 V 4.6995 8.8501 115.7999 59.5061 35.1041 174.5919 75 E 4.8707 8.9602 124.7568 54.4803 32.2718 174.8886 76 F 4.5834 9.1217 125.8348 57.5172 40.2393 175.6516 77 D 5.0026 8.5301 121.0353 53.2344 43.2290 175.7737 78 K 4.3807 9.2821 117.9115 57.6285 33.6910 177.5208 79 G 4.4515 7.9100 110.9028 44.1568 0.0000 173.3032 80 Q 4.1243 8.5697 120.6342 56.4396 29.4299 176.6581 81 R 4.5726 8.6223 120.1908 57.2591 30.9625 176.2225 82 T 5.0773 7.5239 107.0945 59.8063 71.9128 173.4878 83 D 4.8217 8.6235 123.9766 51.8590 41.3556 177.0972 84 K 3.8961 8.4599 117.2814 59.7442 32.3952 177.0590 85 Y 4.3625 8.1004 115.6388 57.6183 37.8178 176.2738 86 G 3.9384 8.1755 107.8935 45.4613 0.0000 174.1006 87 R 4.3518 8.1932 119.6304 55.1755 31.6651 176.3694 88 G 3.5781 8.4752 111.1509 46.0726 0.0000 172.5069 89 L 5.1064 8.8082 124.3734 53.2340 43.0040 175.5875 90 A 4.3320 8.2563 124.8924 51.1374 23.6427 173.7998 91 Y 4.7623 8.6398 117.0428 56.8947 39.9757 175.3492 92 I 4.7563 8.7240 124.6592 59.6783 40.1421 174.1116 93 Y 5.1029 9.1856 123.9859 56.0413 41.1486 174.5406 94 A 4.8517 9.1480 125.5931 50.1755 21.4904 176.2237 95 D 4.3545 9.9713 125.2804 55.8853 39.0749 175.5236 96 G 3.9937 8.4040 106.0537 45.2934 0.0000 173.7119 97 K 4.4278 8.0546 120.7146 55.0308 33.3455 175.5714 98 M 4.0438 8.5541 123.7883 55.1135 33.1488 176.9718 99 V 3.5903 8.8074 127.2123 65.9779 31.4953 177.6134 100 N 4.3089 8.0327 115.8626 56.4200 38.3658 176.7895 101 E 3.9227 8.0641 119.7259 59.1356 29.8319 178.2986 102 A 4.0776 8.0284 120.8584 55.2503 18.4252 179.4676 103 L 3.8087 8.1048 117.3290 58.0247 41.6876 180.0539 104 V 3.8514 7.4334 119.0845 65.6003 31.2991 178.0123 105 R 4.0237 8.0799 117.5280 59.2692 30.0094 177.4292 106 Q 4.1584 8.0250 116.7460 55.7812 29.3382 175.8691 107 G 3.8901 8.1622 107.4691 47.5110 0.0000 174.4664 108 L 4.5431 7.7288 116.7986 53.5427 42.3243 176.0636 109 A 4.5122 7.2961 118.8054 51.3565 22.3598 175.9564 110 K 4.9084 8.3643 118.7256 54.3891 35.6907 175.9302 111 V 4.2611 8.8331 123.0330 62.9219 31.8920 176.0333 112 A 4.5296 8.5809 130.4189 50.9215 20.0538 176.4918 113 Y 4.1648 8.7733 117.0221 57.4422 38.5973 176.9172 114 V 3.7696 8.4618 122.8345 62.2868 32.0742 174.9483 115 Y 4.5435 8.3476 122.3130 56.5854 40.9025 175.4607 116 K 3.3345 9.2617 128.3107 57.4838 29.7479 176.7070 117 G 4.0048 8.3766 103.8072 45.8067 0.0000 174.7577 118 N 4.8664 7.7947 118.6081 51.9118 37.2392 174.1865 119 N 5.1712 8.1685 115.3792 52.4408 39.1379 176.9666 120 T 3.8479 8.4377 117.7672 67.3577 68.7403 174.7238 121 H 4.8514 8.0568 115.5805 55.6073 29.1993 176.2714 122 E 4.0207 8.3115 123.8004 59.6233 29.2929 179.0766 123 Q 3.9733 8.0169 117.5744 58.7123 28.9727 177.9794 124 L 3.9469 7.9309 120.8981 58.4146 42.1409 179.0162 125 L 4.0822 8.0364 118.7173 57.6549 41.5410 179.6908 126 R 3.9374 8.1195 118.2970 59.1779 30.0530 179.2596 127 K 3.9602 8.2298 118.1088 59.3202 32.0330 179.3091 128 A 3.9864 7.8740 120.6700 55.0901 18.2771 179.3369 129 E 3.9007 8.3356 117.6924 59.2623 29.6486 178.8709 130 A 3.7465 7.9661 120.9291 55.0390 18.4170 179.4464 131 Q 3.7796 7.9764 117.7493 59.2312 29.1772 178.2419 132 A 4.0097 7.9423 121.8867 54.8491 18.3648 179.6146 133 K 3.2279 7.6568 118.1684 59.4076 31.9688 179.3162 134 K 3.9076 7.7906 117.5334 59.0233 32.0197 178.2585 135 E 4.2408 7.9726 116.1058 55.2505 30.4017 176.0786 136 K 4.0549 7.8185 117.8873 57.2504 30.4773 175.4173 137 L 4.3270 8.1534 118.0827 55.5978 44.5881 178.2861 138 N 3.5958 9.1557 117.9649 52.8437 38.4005 176.3561 139 I 2.9148 5.4200 126.5778 64.8833 37.5669 176.5509 140 W 4.7926 7.8276 117.9439 56.7026 28.9266 176.5638 141 S 4.3688 8.6912 122.1601 58.9546 62.1594 174.0626 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 7 L 8.17 4.51 0.00 1.75 1.82 1.11 0.90 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 8 H 8.61 4.86 0.00 3.33 3.25 0.00 5.52 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.30 4.57 0.00 1.58 1.69 0.00 1.39 0.00 0.00 1.08 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.15 1.30 7.81 10 E 9.11 5.00 0.00 2.15 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 0.00 2.34 2.21 0.00 11 P 0.00 5.01 0.00 2.10 2.07 0.00 3.85 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 2.02 1.99 0.00 12 A 8.31 4.90 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 13 T 8.45 4.63 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 1.22 0.00 0.00 14 L 8.70 4.25 0.00 1.64 1.57 0.92 1.04 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 15 I 8.34 4.37 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.81 0.94 0.00 0.00 16 K 7.54 4.36 0.00 1.79 1.60 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.39 7.81 17 A 8.79 4.56 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 18 I 8.23 4.13 2.04 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 1.47 0.64 0.90 0.00 0.00 19 D 7.00 4.47 0.00 2.74 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 20 G 9.22 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 21 D 8.17 4.79 0.00 2.84 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 22 T 8.11 5.33 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 1.18 0.00 0.00 23 V 8.75 4.72 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 0.78 0.00 0.00 1.05 0.00 0.00 24 K 9.19 5.04 0.00 1.86 1.83 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.47 7.81 25 L 9.31 5.30 0.00 1.71 1.56 0.88 0.04 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 26 M 9.29 4.85 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 27 Y 9.18 5.01 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 28 K 9.46 3.40 0.00 1.50 1.62 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.98 0.21 7.81 29 G 8.63 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 30 Q 7.91 4.84 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 31 P 0.00 5.00 0.00 2.15 2.14 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 32 M 9.30 4.79 0.00 2.29 2.02 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.09 0.00 33 T 8.48 4.94 4.21 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 0.00 0.00 0.00 1.21 0.00 0.00 34 F 9.52 5.07 0.00 2.85 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 35 R 9.15 5.02 0.00 1.82 1.71 0.00 3.33 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 36 L 8.71 4.27 0.00 1.51 1.58 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.65 3.89 0.00 0.95 1.27 0.28 0.35 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 38 L 8.73 3.69 0.00 1.97 1.80 1.14 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.32 4.94 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 0.79 0.00 0.00 0.97 0.00 0.00 40 D 9.16 4.93 0.00 2.77 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.30 4.88 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 42 P 0.00 4.38 0.00 2.20 2.11 0.00 3.58 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.08 0.00 43 E 9.52 4.03 0.00 1.94 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 2.41 0.00 44 T 8.32 4.52 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 *51 V 8.07 3.91 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 0.75 0.00 0.00 0.87 0.00 0.00 52 E 8.77 4.25 0.00 2.05 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 2.31 2.24 0.00 53 K 8.31 4.01 0.00 1.64 1.67 0.00 1.32 0.00 0.00 1.49 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 0.93 7.81 54 Y 8.09 4.54 0.00 3.20 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 55 G 8.12 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 56 P 0.00 4.36 0.00 2.28 2.31 0.00 3.60 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 2.05 2.02 0.00 57 E 8.20 3.97 0.00 2.43 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 58 A 8.29 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.21 4.16 0.00 4.06 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 60 A 8.30 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.09 0.00 3.25 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 62 T 8.14 3.77 4.40 0.00 0.00 0.00 0.00 0.00 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 63 K 8.20 3.84 0.00 1.91 1.99 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.52 7.81 64 K 8.22 3.86 0.00 1.88 1.80 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.48 7.81 65 M 7.58 3.86 0.00 1.82 1.67 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 66 E 8.24 4.08 0.00 2.06 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 2.26 2.33 0.00 67 E 8.29 4.03 0.00 1.99 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 2.36 0.00 68 N 7.73 4.55 0.00 2.73 2.83 0.00 0.00 6.98 8.68 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 69 A 7.26 4.42 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 70 K 8.92 4.22 0.00 1.95 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.39 7.81 71 K 8.77 4.72 0.00 1.64 1.64 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 72 I 8.39 5.03 2.04 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 1.33 1.30 0.84 0.00 0.00 73 E 9.28 5.16 0.00 1.91 1.86 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 2.21 2.26 0.00 74 V 8.85 4.70 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 0.05 0.00 0.00 0.86 0.00 0.00 75 E 8.96 4.87 0.00 2.25 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 2.57 2.46 0.00 76 F 9.12 4.58 0.00 3.05 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 77 D 8.53 5.00 0.00 2.71 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 78 K 9.28 4.38 0.00 1.90 1.97 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 79 G 7.91 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 0.00 0.00 0.00 0.00 80 Q 8.57 4.12 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 81 R 8.62 4.57 0.00 1.80 2.00 0.00 3.36 0.00 0.00 3.63 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.32 0.00 82 T 7.52 5.08 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 1.21 0.00 0.00 83 D 8.62 4.82 0.00 2.85 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 84 K 8.46 3.90 0.00 1.57 1.85 0.00 1.45 0.00 0.00 1.55 0.00 0.00 2.56 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.13 0.21 7.81 85 Y 8.10 4.36 0.00 3.06 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 86 G 8.18 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 87 R 8.19 4.35 0.00 2.03 1.78 0.00 3.09 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 88 G 8.48 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.81 5.11 0.00 1.55 1.62 1.09 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.26 4.33 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 91 Y 8.64 4.76 0.00 2.94 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.72 4.76 1.74 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.96 0.84 0.00 0.00 93 Y 9.19 5.10 0.00 2.79 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 94 A 9.15 4.85 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 95 D 9.97 4.35 0.00 2.76 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 96 G 8.40 3.99 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 0.00 0.00 0.00 97 K 8.05 4.43 0.00 2.03 1.76 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.19 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.43 7.81 98 M 8.55 4.04 0.00 1.90 1.63 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.45 0.00 99 V 8.81 3.59 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 0.96 0.00 0.00 0.89 0.00 0.00 100 N 8.03 4.31 0.00 2.88 2.93 0.00 0.00 6.78 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 0.00 101 E 8.06 3.92 0.00 1.98 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 2.38 2.36 0.00 102 A 8.03 4.08 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 3.81 0.00 1.95 1.74 1.02 0.77 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 0.00 104 V 7.43 3.85 2.22 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 1.33 0.00 0.00 0.99 0.00 0.00 105 R 8.08 4.02 0.00 1.87 2.09 0.00 3.34 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 106 Q 8.02 4.16 0.00 1.90 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.22 0.00 0.00 0.00 0.00 0.00 1.70 2.13 0.00 107 G 8.16 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 0.00 108 L 7.73 4.54 0.00 1.33 1.51 0.30 0.35 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 0.00 109 A 7.30 4.51 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 0.00 110 K 8.36 4.91 0.00 1.73 1.89 0.00 1.76 0.00 0.00 1.14 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.17 7.81 111 V 8.83 4.26 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 0.75 0.00 0.00 0.96 0.00 0.00 112 A 8.58 4.53 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 0.00 113 Y 8.77 4.16 0.00 2.99 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 0.00 114 V 8.46 3.77 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 0.77 0.00 0.00 1.05 0.00 0.00 115 Y 8.35 4.54 0.00 3.06 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 0.00 116 K 9.26 3.33 0.00 1.63 1.59 0.00 1.59 0.00 0.00 1.37 0.00 0.00 2.43 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 0.68 7.81 117 G 8.38 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 0.00 118 N 7.79 4.87 0.00 2.96 2.85 0.00 0.00 6.66 8.02 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 0.00 119 N 8.17 5.17 0.00 2.94 3.01 0.00 0.00 6.10 7.22 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 0.00 120 T 8.44 3.85 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 1.04 0.00 0.00 121 H 8.06 4.85 0.00 2.93 3.09 0.00 5.63 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.31 4.02 0.00 2.12 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 0.00 2.33 2.39 0.00 123 Q 8.02 3.97 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 124 L 7.93 3.95 0.00 1.75 1.84 0.95 0.60 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 0.00 125 L 8.04 4.08 0.00 1.92 1.73 1.06 0.93 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 0.00 126 R 8.12 3.94 0.00 2.17 1.95 0.00 3.16 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 127 K 8.23 3.96 0.00 1.93 1.83 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.63 7.81 128 A 7.87 3.99 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 0.00 129 E 8.34 3.90 0.00 2.18 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 2.14 2.54 0.00 130 A 7.97 3.75 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 0.00 131 Q 7.98 3.78 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 132 A 7.94 4.01 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 0.00 0.00 0.00 0.00 0.00 133 K 7.66 3.23 0.00 0.97 1.45 0.00 1.15 0.00 0.00 1.09 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 0.23 7.81 134 K 7.79 3.91 0.00 1.84 1.80 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.59 7.81 135 E 7.97 4.24 0.00 1.94 1.98 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 2.29 2.43 0.00 136 K 7.82 4.05 0.00 1.90 1.91 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.40 7.81 137 L 8.15 4.33 0.00 1.78 1.66 0.92 0.54 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 0.00 138 N 9.16 3.60 0.00 2.47 1.42 0.00 0.00 7.59 7.32 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 0.00 139 I 5.42 2.91 1.13 0.00 0.00 0.57 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 -0.05 0.04 0.00 0.00 140 W 7.83 4.79 0.00 3.30 3.14 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 0.00 141 S 8.69 4.37 0.00 3.97 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 * Residues marked with a * may have inaccurate shift predictions.