NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.4162 8.1844 120.5807 54.6712 43.4296 175.5978 3 E 4.3987 8.6107 123.0367 53.6400 33.2409 168.5150 4 V 4.6384 9.7309 129.0189 61.2231 34.4950 173.6672 5 I 4.6582 8.4983 129.3605 59.7965 39.1295 174.5876 6 I 4.9937 8.5790 128.2971 59.4001 40.1969 175.0489 7 K 5.3366 9.1506 124.7292 54.9029 36.6835 175.2375 8 A 5.1252 9.1933 125.5917 50.3743 22.6622 175.4722 9 K 4.7685 8.9064 121.1315 55.7152 34.1577 176.7313 10 V 4.5662 9.0048 122.3401 61.2048 34.3018 175.7030 11 K 4.1449 9.1693 128.0333 54.7411 33.0409 176.4820 12 P 4.2520 0.0000 0.0000 65.2943 31.0577 178.0162 13 T 4.1180 7.5877 104.3486 62.3033 69.2130 174.2720 14 E 4.2570 7.7068 122.1721 55.5737 30.8953 175.3363 15 D 4.7392 8.2474 120.4391 52.4713 41.7165 176.8361 16 K 3.9263 8.7164 128.0786 60.7165 32.0858 178.1036 17 Y 4.1200 8.5060 116.9897 60.0491 37.8803 177.9410 18 K 4.3128 8.4968 120.1589 59.1003 32.1858 179.4806 19 V 3.6468 7.7848 118.2254 65.7926 31.5573 177.7030 20 K 3.0800 7.9931 119.4017 59.2023 31.8332 178.5273 21 K 3.8288 8.1252 119.5392 59.3482 31.8476 178.4137 22 A 4.1754 7.9101 120.0574 55.3528 18.5305 179.3676 23 I 3.8614 7.6777 118.0626 64.7208 37.4190 178.5468 24 L 4.0732 8.0119 119.6753 58.1076 41.2345 179.2056 25 N 4.2740 8.2127 115.7917 56.1011 38.4874 176.4024 26 I 4.0395 6.9730 117.9687 60.9942 39.8254 176.0299 27 F 4.9299 7.9003 117.9767 54.4505 39.0262 173.4894 28 P 4.3338 0.0000 0.0000 65.2149 31.7104 177.9829 29 K 4.1938 8.0128 114.7756 57.0855 32.5819 176.8851 30 A 4.3429 7.7428 121.5808 52.4087 19.2532 177.4076 31 K 4.4183 9.2093 122.0907 55.2462 33.3988 175.5764 32 L 5.4956 8.5833 125.3387 53.0821 44.3773 176.3193 33 T 4.9803 9.1338 112.2554 60.0167 72.3190 172.2348 34 F 4.6079 8.7154 126.6087 56.2907 41.0025 174.4458 35 I 4.1286 7.5900 119.8348 58.8333 39.6667 174.6433 36 E 4.2309 8.3230 126.8565 55.7965 30.8713 175.1801 37 K 4.6683 8.1379 122.5251 55.0463 36.6787 175.7198 38 D 4.5741 8.6708 119.4083 55.2359 41.5658 175.7543 39 N 4.0271 9.5419 115.2541 54.7917 36.1520 175.1550 40 E 3.8399 8.3523 112.9768 56.9608 27.5895 174.6085 41 F 4.5539 8.2540 118.7127 57.3983 41.1088 174.5263 42 G 4.3052 8.9872 106.6529 46.1626 0.0000 171.4861 43 E 5.2396 7.9688 119.2434 54.6806 33.7809 173.4797 44 W 5.3018 9.5736 124.5048 54.9963 32.3199 174.6772 45 E 5.2530 9.4995 123.4370 54.7003 32.6233 175.3128 46 G 4.9592 9.4260 110.8392 45.0565 0.0000 170.9850 47 K 5.6099 8.2564 116.7365 55.4627 36.8922 175.3706 48 T 4.8089 8.1752 115.4312 61.5683 70.7632 173.7876 49 K 4.4303 8.7942 122.0325 55.8882 33.5406 175.9922 50 S 4.7023 8.0339 114.7686 56.8363 63.4204 173.7633 51 V 4.5709 8.2317 119.8478 61.4503 32.3423 177.5910 52 E 3.9453 8.0440 121.1593 59.4977 29.2280 179.1110 53 K 3.8521 8.0020 119.0582 59.2997 32.1999 178.1559 54 L 3.7788 7.8011 119.9968 58.1380 42.0748 178.8109 55 K 3.8868 8.2645 118.5297 59.6814 32.0490 178.8355 56 E 3.9416 8.7372 119.5924 59.2093 29.4052 178.9262 57 L 3.9943 7.9475 119.0002 57.5063 41.8693 179.0364 58 L 4.0021 8.0618 119.0824 57.9648 41.5168 179.9055 59 R 3.8931 7.9381 117.6931 59.3321 30.0127 178.9496 60 S 4.3359 8.0631 111.4415 60.4312 62.4230 175.0375 61 Q 4.4301 7.9259 118.0267 54.5934 30.4961 175.1161 62 S 3.7648 8.2921 116.3784 59.7503 60.8460 172.3345 63 I 4.7453 8.0242 107.3128 59.8387 39.1434 177.9915 64 L 3.9748 8.4233 123.4609 58.8778 41.1443 178.8336 65 D 4.3127 7.9977 116.8194 56.3593 39.5436 177.8208 66 A 4.0495 7.9532 120.5891 54.7202 18.6382 179.0245 67 A 3.4967 8.2686 119.4516 55.0190 18.5946 179.8554 68 R 3.6586 7.9918 115.8577 57.7684 30.4916 177.9693 *70 V 3.8381 7.6816 117.8020 62.3693 33.1301 176.6023 71 L 3.9000 7.8108 119.0446 57.6031 41.4351 177.1888 72 E 3.8796 7.6524 118.3831 55.9315 28.0747 176.0027 *79 A 4.2737 8.0137 125.9029 52.1129 19.9863 175.3260 80 T 4.9255 8.8852 113.3841 60.2276 71.2022 172.7701 81 K 4.9178 8.6251 125.7701 55.2050 35.6737 174.9155 82 F 4.9797 7.9287 117.0431 56.3825 41.7196 171.9974 83 Y 5.2917 9.0568 115.3497 56.3234 41.2457 175.0299 84 L 4.9859 8.9743 123.4854 52.8710 44.9875 175.3612 85 N 4.7772 9.1584 122.2678 53.4814 39.4879 175.6200 86 K 3.9664 9.1899 126.7113 60.0583 32.2471 179.1290 87 Q 4.0657 8.2110 117.2623 58.8725 28.5653 178.7023 88 A 3.9967 9.1290 121.9924 55.1048 18.4875 179.5182 89 A 4.2003 8.2265 120.7338 54.7775 18.1190 179.1895 90 Y 4.0631 7.9223 117.5506 60.5348 38.8719 177.2140 91 V 3.9359 7.2068 110.2792 61.1094 31.5863 176.1337 92 G 3.7143 7.9832 106.8994 46.3947 0.0000 173.6580 93 A 4.7344 8.0892 120.5543 49.5393 22.4289 176.2682 94 V 3.9455 8.0098 121.5346 61.7850 32.6027 174.9906 95 N 4.8151 8.1762 125.1725 52.3470 42.0552 174.5190 96 F 5.2827 9.1115 122.0547 57.4017 40.6341 176.5238 97 D 4.6297 8.5335 122.1120 51.9273 37.8016 175.7697 *102 G 3.7649 8.1540 115.2634 44.8011 0.0000 171.3821 103 G 3.9857 8.2961 104.1246 44.4261 0.0000 171.9714 104 I 4.4948 8.8084 119.7807 60.0514 38.3988 175.7050 105 F 4.0468 9.4433 131.5965 57.7984 40.5398 174.2657 106 V 4.3028 7.3356 125.4642 60.5912 34.8895 174.0390 107 K 4.4432 8.2422 127.8454 54.7429 35.4056 174.6147 108 I 4.7843 8.7173 129.9411 59.7135 38.6624 174.8332 109 L 5.0614 8.5677 127.2516 53.6089 43.0004 175.7079 110 A 4.4906 8.7182 126.5132 51.0255 19.3660 176.7697 111 D 4.5234 8.8188 121.9735 52.7861 40.0777 177.0449 112 E 3.9497 8.7817 117.2367 59.4426 29.1325 177.3894 113 N 4.9043 7.7656 114.8608 52.9025 38.8739 174.3534 114 E 4.7128 7.9966 116.2851 54.7568 33.8713 174.3211 115 D 4.8477 8.3286 119.5781 52.3438 42.7405 177.4506 116 I 3.8703 8.3553 128.1557 61.3545 38.1378 177.3845 *118 K 4.3023 8.1706 119.7973 56.0379 34.1985 178.4930 119 I 3.7780 7.5433 119.4941 64.3397 36.8382 178.4184 120 I 3.7237 8.1616 121.1391 64.3905 36.7030 178.5831 121 K 3.7629 7.9158 117.6761 58.9436 32.0883 178.3825 122 D 4.4710 7.6661 117.5974 56.7247 41.1737 178.1049 123 I 4.0977 7.6460 119.5365 62.7535 38.6368 176.7686 124 A 4.6205 8.0600 124.5752 48.9523 18.4577 174.4135 125 P 4.5016 0.0000 0.0000 62.5376 31.3400 176.6756 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 2 L 8.18 4.42 0.00 1.56 1.69 0.95 0.52 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 3 E 8.61 4.40 0.00 2.01 1.71 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 2.17 2.33 0.00 4 V 9.73 4.64 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 0.37 0.00 0.00 0.92 0.00 0.00 5 I 8.50 4.66 1.84 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 1.21 0.77 0.98 0.00 0.00 6 I 8.58 4.99 1.81 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.37 0.92 0.00 0.00 7 K 9.15 5.34 0.00 1.82 1.80 0.00 1.27 0.00 0.00 1.50 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.50 7.81 8 A 9.19 5.13 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 9 K 8.91 4.77 0.00 1.77 1.87 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.69 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.52 7.81 10 V 9.00 4.57 2.30 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 1.12 0.00 0.00 1.21 0.00 0.00 11 K 9.17 4.14 0.00 1.70 1.43 0.00 1.90 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.55 7.81 12 P 0.00 4.25 0.00 1.80 1.96 0.00 2.94 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 13 T 7.59 4.12 4.20 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 1.16 0.00 0.00 14 E 7.71 4.26 0.00 2.11 1.91 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 2.27 2.20 0.00 15 D 8.25 4.74 0.00 2.67 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 16 K 8.72 3.93 0.00 1.43 1.65 0.00 0.61 0.00 0.00 1.05 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 0.70 7.81 17 Y 8.51 4.12 0.00 3.30 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 18 K 8.50 4.31 0.00 1.90 1.65 0.00 1.58 0.00 0.00 1.28 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.65 7.81 19 V 7.78 3.65 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 1.26 0.00 0.00 1.11 0.00 0.00 20 K 7.99 3.08 0.00 1.04 1.66 0.00 1.24 0.00 0.00 1.47 0.00 0.00 2.68 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.93 0.21 7.81 21 K 8.13 3.83 0.00 2.00 2.10 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.55 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.38 7.81 22 A 7.91 4.18 1.56 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 0.00 0.00 23 I 7.68 3.86 1.93 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 1.60 0.82 1.00 0.00 0.00 24 L 8.01 4.07 0.00 1.62 1.69 0.85 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.21 4.27 0.00 2.84 2.81 0.00 0.00 6.97 6.99 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 26 I 6.97 4.04 1.47 0.00 0.00 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 1.32 0.39 0.10 0.00 0.00 27 F 7.90 4.93 0.00 3.03 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 28 P 0.00 4.33 0.00 2.04 2.11 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.25 0.00 29 K 8.01 4.19 0.00 1.78 1.89 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.51 7.81 30 A 7.74 4.34 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 31 K 9.21 4.42 0.00 1.75 1.81 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.49 7.81 32 L 8.58 5.50 0.00 1.46 1.71 0.65 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 T 9.13 4.98 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 1.31 0.00 0.00 34 F 8.72 4.61 0.00 1.51 2.39 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 35 I 7.59 4.13 1.62 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 0.92 0.15 0.74 0.00 0.00 36 E 8.32 4.23 0.00 1.94 1.79 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 2.27 2.40 0.00 37 K 8.14 4.67 0.00 1.75 1.66 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.25 7.81 38 D 8.67 4.57 0.00 2.68 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 39 N 9.54 4.03 0.00 3.04 3.08 0.00 0.00 7.02 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 40 E 8.35 3.84 0.00 2.10 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 2.30 2.25 0.00 41 F 8.25 4.55 0.00 3.15 2.98 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 42 G 8.99 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 0.00 0.00 0.00 0.00 43 E 7.97 5.24 0.00 1.95 1.56 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 2.20 2.59 0.00 44 W 9.57 5.30 0.00 3.36 3.10 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 45 E 9.50 5.25 0.00 1.93 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 2.35 2.22 0.00 46 G 9.43 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.26 5.61 0.00 1.66 1.62 0.00 2.15 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.28 7.81 48 T 8.18 4.81 4.32 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 1.10 0.00 0.00 49 K 8.79 4.43 0.00 1.76 1.79 0.00 1.92 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.33 7.81 50 S 8.03 4.70 0.00 3.86 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 51 V 8.23 4.57 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 0.90 0.00 0.00 0.99 0.00 0.00 52 E 8.04 3.95 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 2.36 2.48 0.00 53 K 8.00 3.85 0.00 1.82 1.88 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.44 7.81 54 L 7.80 3.78 0.00 1.61 1.88 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.26 3.89 0.00 2.01 1.85 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.77 7.81 56 E 8.74 3.94 0.00 1.96 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 2.28 2.34 0.00 57 L 7.95 3.99 0.00 1.80 1.61 0.79 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.06 4.00 0.00 1.81 1.74 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 59 R 7.94 3.89 0.00 1.87 1.96 0.00 3.23 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 60 S 8.06 4.34 0.00 4.14 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 61 Q 7.93 4.43 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.39 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 62 S 8.29 3.76 0.00 3.92 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 63 I 8.02 4.75 1.96 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 1.44 1.18 0.97 0.00 0.00 64 L 8.42 3.97 0.00 1.70 1.76 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.00 4.31 0.00 2.80 2.78 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 66 A 7.95 4.05 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 67 A 8.27 3.50 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 0.00 0.00 68 R 7.99 3.66 0.00 2.02 1.90 0.00 3.36 0.00 0.00 3.04 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 *70 V 7.68 3.84 1.18 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 0.64 0.00 0.00 0.31 0.00 0.00 71 L 7.81 3.90 0.00 1.67 1.63 0.81 0.43 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 72 E 7.65 3.88 0.00 1.95 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 2.32 2.37 0.00 *79 A 8.01 4.27 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 80 T 8.89 4.93 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 1.34 0.00 0.00 81 K 8.63 4.92 0.00 1.42 1.55 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.44 7.81 82 F 7.93 4.98 0.00 3.27 3.18 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 83 Y 9.06 5.29 0.00 3.06 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 84 L 8.97 4.99 0.00 1.70 1.59 1.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 85 N 9.16 4.78 0.00 2.92 2.71 0.00 0.00 7.19 6.90 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 86 K 9.19 3.97 0.00 1.89 1.92 0.00 1.84 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.64 7.81 87 Q 8.21 4.07 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 88 A 9.13 4.00 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 89 A 8.23 4.20 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 7.92 4.06 0.00 3.07 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 91 V 7.21 3.94 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 0.81 0.00 0.00 1.04 0.00 0.00 92 G 7.98 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 0.00 0.00 0.00 93 A 8.09 4.73 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 94 V 8.01 3.95 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 0.32 0.00 0.00 0.78 0.00 0.00 95 N 8.18 4.82 0.00 2.68 2.50 0.00 0.00 7.10 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 F 9.11 5.28 0.00 3.13 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 97 D 8.53 4.63 0.00 2.82 2.79 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 *102 G 8.15 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 0.00 103 G 8.30 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 0.00 104 I 8.81 4.49 2.01 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 1.23 1.04 1.04 0.00 0.00 105 F 9.44 4.05 0.00 3.01 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 0.00 106 V 7.34 4.30 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 0.54 0.00 0.00 0.88 0.00 0.00 107 K 8.24 4.44 0.00 1.39 1.42 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 1.43 7.81 108 I 8.72 4.78 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.33 0.94 0.00 0.00 109 L 8.57 5.06 0.00 1.72 1.73 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.72 4.49 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 0.00 111 D 8.82 4.52 0.00 2.87 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 0.00 112 E 8.78 3.95 0.00 2.09 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 0.00 2.29 2.36 0.00 113 N 7.77 4.90 0.00 2.72 2.86 0.00 0.00 6.79 7.38 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 0.00 114 E 8.00 4.71 0.00 2.09 1.79 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 2.24 2.43 0.00 115 D 8.33 4.85 0.00 2.68 2.51 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 0.00 116 I 8.36 3.87 1.92 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 1.64 0.92 0.00 0.00 *118 K 8.17 4.30 0.00 2.06 1.88 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.47 7.81 119 I 7.54 3.78 2.11 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 1.54 0.43 0.94 0.00 0.00 120 I 8.16 3.72 1.86 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 1.08 0.88 0.00 0.00 121 K 7.92 3.76 0.00 1.72 1.86 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 122 D 7.67 4.47 0.00 2.75 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 0.00 123 I 7.65 4.10 2.00 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 1.50 0.82 0.93 0.00 0.00 124 A 8.06 4.62 1.23 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 0.00 0.00 125 P 0.00 4.50 0.00 2.04 1.98 0.00 3.71 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 2.02 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.