NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1416 8.2649 123.5836 49.9535 20.8903 173.3984 2 K 3.5978 8.1251 123.0604 55.0717 31.6912 174.3729 3 Q 4.0149 8.7856 126.0467 59.1874 30.0071 178.0712 4 S 4.2297 7.9771 114.8185 61.6983 63.2955 176.0551 5 M 4.0150 7.9753 122.7402 57.5082 31.6884 178.3019 6 K 4.0891 8.2265 116.4181 58.0167 32.0582 177.1291 7 A 4.5294 7.9096 120.0248 54.2306 20.1789 179.0920 8 R 3.8691 7.7980 116.4379 59.3863 29.6722 178.4605 9 E 3.8433 8.2504 118.5444 59.6253 29.4442 178.4482 10 V 3.5740 7.9189 117.1969 66.5725 31.2501 177.9244 11 K 3.9681 7.8100 116.3620 59.5171 31.8097 179.4742 12 R 3.9574 7.9819 116.9351 58.5493 29.9985 178.7625 13 V 3.7843 7.7103 118.5889 66.0888 31.7481 176.9809 14 A 3.8128 8.1753 118.1639 55.9737 17.9188 178.8789 15 L 3.9276 8.2029 115.2953 58.5215 40.8733 179.4043 16 A 4.2914 7.9376 119.7898 53.2755 18.4320 177.3036 17 D 4.7441 8.5350 113.9961 55.9145 42.9365 177.9939 18 K 4.0610 8.1505 115.9845 58.5693 33.8396 176.9229 19 Y 4.7429 7.7526 113.1150 58.2902 38.3837 177.9685 20 F 4.3866 7.0668 128.6149 61.6733 39.4149 177.8305 21 A 4.0853 7.6562 122.5934 54.8333 18.3315 178.3297 22 K 5.2601 7.8005 111.7455 55.0667 34.9444 177.6933 23 R 4.1393 9.3959 119.5722 58.9836 30.0865 178.0823 24 A 3.6557 7.8161 120.4473 54.9467 18.1667 179.1004 25 E 3.8571 8.2260 116.7294 59.6691 29.1904 179.2112 26 L 3.9106 7.7751 120.1949 58.1380 42.1605 179.2218 27 K 4.0106 7.9224 117.4444 59.2946 32.5871 178.5841 28 A 3.9298 8.0733 121.7011 54.7438 18.1989 179.2775 29 I 3.8004 7.1733 118.1470 64.2911 37.5768 177.4610 30 I 3.7415 7.5457 119.6529 64.8504 37.1365 178.6697 31 S 4.5122 8.1819 111.2075 59.2465 62.1617 173.5199 32 D 4.6566 7.8544 119.3934 51.9002 43.9800 175.0507 33 V 3.7264 8.4046 124.7362 63.8387 30.4506 174.9917 34 N 5.0010 8.1953 126.0040 52.7154 40.3524 176.2863 35 A 4.2067 7.9307 119.6403 52.5996 16.0056 178.9569 *40 R 4.3649 7.4350 118.9249 54.2428 32.2798 177.5444 41 W 4.5343 8.6231 117.3258 57.5742 30.1910 175.6050 42 N 4.2559 8.8714 121.4803 56.5446 38.1268 176.7898 43 A 3.9733 8.0517 121.3570 55.5644 18.2689 179.7451 44 V 3.6295 7.9142 115.9241 66.0659 31.4762 177.8545 45 L 4.1016 7.9756 119.4012 57.9295 42.2075 178.7447 46 K 4.1692 8.7016 118.9965 58.9713 32.0996 178.7994 47 L 4.1166 8.4768 120.3145 57.2364 41.7311 178.4274 48 Q 4.1282 7.4851 117.0604 58.9379 28.9915 176.3087 49 T 4.4585 7.5706 115.2210 63.2047 68.7943 175.3261 50 L 4.1554 7.7137 124.1611 57.7053 41.1475 175.9460 51 P 4.6879 0.0000 0.0000 61.5562 30.0044 174.6033 52 R 4.2453 7.5160 121.4342 57.3926 32.7095 175.8989 53 D 4.0318 7.9601 118.7806 56.7232 41.2362 177.7742 54 S 4.2787 7.0083 114.1806 56.8506 60.4375 172.0863 55 S 4.3181 7.3460 118.0643 56.4488 66.8925 173.5051 56 P 4.7228 0.0000 0.0000 63.2659 30.8383 176.8272 57 S 4.6309 7.7684 112.9195 58.9082 64.5567 174.8374 58 R 4.3476 7.9665 118.2753 55.9676 29.9253 175.5206 59 Q 4.7776 8.0643 117.4383 53.5744 30.1238 175.7589 60 R 4.3709 8.5228 119.9523 55.6966 29.4373 176.3291 61 N 3.7791 7.7291 113.3972 50.8584 38.3998 172.0947 62 R 4.2340 7.5504 122.4144 55.9819 30.2584 175.9951 63 C 4.1545 8.1882 120.7863 60.1250 31.7080 174.7319 64 R 4.0679 9.4530 127.8300 58.3283 29.8347 176.6452 65 Q 4.2829 7.9343 117.2951 58.1561 30.0362 175.5586 66 T 4.2827 9.3141 110.3291 64.0774 68.7332 174.9458 67 G 3.7852 8.2955 117.0869 45.6780 0.0000 171.4012 68 R 3.8970 7.9649 121.8420 55.9653 29.6067 174.8606 69 P 4.3810 0.0000 0.0000 64.6274 31.6740 175.9156 70 H 4.7466 7.9597 117.1904 56.5037 29.3989 175.0152 71 G 4.2206 9.0359 115.0453 45.6810 0.0000 172.8676 72 F 4.9965 8.0814 119.7663 57.1804 40.2788 175.3224 73 L 3.9698 6.4820 125.2424 53.6000 43.5654 176.2348 74 R 3.0972 8.2966 125.4870 58.8213 30.0179 177.5369 75 K 3.7470 7.4690 117.2691 58.3511 32.3169 177.0206 76 F 4.7410 6.9521 114.0072 55.4797 41.3056 176.1647 77 G 3.9222 8.7222 109.1296 45.8214 0.0000 173.6021 78 L 4.6174 7.2906 120.6647 53.2163 44.1256 174.9068 79 S 5.6811 8.1663 113.3239 58.1954 67.5453 175.9825 80 R 3.3951 9.2253 121.7626 56.0878 30.8804 178.1482 81 I 3.5846 8.9258 125.8900 65.0526 37.4496 177.0288 82 K 3.8706 8.4221 120.3277 59.3392 31.9515 179.4085 83 V 3.3129 7.6778 117.8911 65.7580 31.2950 177.5921 84 R 3.7778 7.9632 118.5064 59.6211 29.9189 178.0712 85 E 3.8736 8.7471 118.1018 59.5432 29.6514 179.0861 86 A 4.4119 8.4613 121.7200 54.5038 18.2952 179.7141 87 A 3.7954 7.9268 118.9734 55.7607 18.3501 179.8489 88 M 4.0482 7.8881 115.7665 58.3093 32.0793 178.3736 89 R 4.2929 8.2675 115.8879 55.6386 30.7985 177.5735 90 G 3.9397 8.1868 107.3677 45.7533 0.0000 175.6488 91 E 4.0432 7.9272 120.0004 58.5744 29.7261 176.8072 92 I 4.3924 6.9911 118.7346 58.5714 38.3401 173.9126 93 P 4.1497 0.0000 0.0000 64.6585 31.6225 177.5256 94 G 3.6922 8.6016 103.2833 46.2106 0.0000 171.5515 95 L 4.1330 7.5003 124.3286 54.7579 43.1104 173.7112 96 K 4.6872 8.2058 124.3651 53.8055 35.6683 175.8687 97 K 3.8017 8.5215 117.5378 57.0956 32.3438 176.1618 98 A 4.8940 8.3598 124.9736 50.5700 20.9020 176.5466 99 S 4.8077 8.5548 115.3495 57.2738 65.8017 174.6539 100 W 4.4745 8.2093 119.8130 57.2371 27.2464 174.0449 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 A 8.26 4.14 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 2 K 8.13 3.60 0.00 2.04 1.84 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.43 7.81 3 Q 8.79 4.01 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 7.06 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 4 S 7.98 4.23 0.00 4.08 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 5 M 7.98 4.01 0.00 2.04 2.56 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 2.69 2.55 0.00 6 K 8.23 4.09 0.00 1.80 1.83 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.47 7.81 7 A 7.91 4.53 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 8 R 7.80 3.87 0.00 1.89 1.98 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 9 E 8.25 3.84 0.00 2.04 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 2.35 2.42 0.00 10 V 7.92 3.57 2.27 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 1.01 0.00 0.00 0.96 0.00 0.00 11 K 7.81 3.97 0.00 1.97 1.84 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.62 7.81 12 R 7.98 3.96 0.00 2.00 2.16 0.00 3.12 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 13 V 7.71 3.78 2.23 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 1.05 0.00 0.00 1.00 0.00 0.00 14 A 8.18 3.81 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 15 L 8.20 3.93 0.00 1.97 2.07 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.94 4.29 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 17 D 8.53 4.74 0.00 2.72 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 18 K 8.15 4.06 0.00 1.47 1.65 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.34 7.81 19 Y 7.75 4.74 0.00 3.31 2.47 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 20 F 7.07 4.39 0.00 3.22 3.15 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 21 A 7.66 4.09 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 22 K 7.80 5.26 0.00 1.68 1.78 0.00 1.60 0.00 0.00 2.29 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.43 7.81 23 R 9.40 4.14 0.00 1.90 2.13 0.00 3.34 0.00 0.00 3.66 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 24 A 7.82 3.66 0.63 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 0.00 0.00 25 E 8.23 3.86 0.00 2.10 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 2.39 2.42 0.00 26 L 7.78 3.91 0.00 1.79 1.70 0.92 0.50 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 27 K 7.92 4.01 0.00 2.01 1.99 0.00 1.33 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.28 1.56 7.81 28 A 8.07 3.93 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 29 I 7.17 3.80 1.86 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 1.48 0.83 0.85 0.00 0.00 30 I 7.55 3.74 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.33 0.93 0.00 0.00 31 S 8.18 4.51 0.00 3.90 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 32 D 7.85 4.66 0.00 2.53 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 33 V 8.40 3.73 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 0.85 0.00 0.00 0.94 0.00 0.00 34 N 8.20 5.00 0.00 2.60 2.68 0.00 0.00 7.13 7.35 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 35 A 7.93 4.21 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 *40 R 7.44 4.36 0.00 1.96 2.09 0.00 3.46 0.00 0.00 3.52 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 41 W 8.62 4.53 0.00 3.26 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 42 N 8.87 4.26 0.00 2.60 2.83 0.00 0.00 6.98 7.54 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 43 A 8.05 3.97 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 44 V 7.91 3.63 2.35 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 1.04 0.00 0.00 1.06 0.00 0.00 45 L 7.98 4.10 0.00 1.71 1.83 0.94 0.69 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 46 K 8.70 4.17 0.00 1.94 1.83 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.67 7.81 47 L 8.48 4.12 0.00 1.97 1.67 0.94 0.52 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 48 Q 7.49 4.13 0.00 2.12 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 49 T 7.57 4.46 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 50 L 7.71 4.16 0.00 1.66 2.01 0.79 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.69 0.00 1.92 1.46 0.00 3.96 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 52 R 7.52 4.25 0.00 1.82 1.77 0.00 3.19 0.00 0.00 3.27 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 53 D 7.96 4.03 0.00 2.64 2.67 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 0.00 0.00 0.00 0.00 54 S 7.01 4.28 0.00 3.66 3.35 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 55 S 7.35 4.32 0.00 3.75 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 4.72 0.00 2.21 2.19 0.00 3.84 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 57 S 7.77 4.63 0.00 3.86 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 58 R 7.97 4.35 0.00 1.73 1.89 0.00 3.14 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 59 Q 8.06 4.78 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.53 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 60 R 8.52 4.37 0.00 1.81 1.92 0.00 3.30 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 61 N 7.73 3.78 0.00 2.26 1.69 0.00 0.00 6.93 7.54 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 62 R 7.55 4.23 0.00 1.96 2.12 0.00 3.26 0.00 0.00 3.80 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 63 C 8.19 4.15 0.00 3.23 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 64 R 9.45 4.07 0.00 1.97 2.09 0.00 3.36 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 1.69 1.63 0.00 65 Q 7.93 4.28 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 66 T 9.31 4.28 4.26 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 1.26 0.00 0.00 67 G 8.30 3.79 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 0.00 68 R 7.96 3.90 0.00 1.88 1.94 0.00 3.22 0.00 0.00 3.71 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.70 0.00 69 P 0.00 4.38 0.00 2.12 2.11 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 70 H 7.96 4.75 0.00 3.21 3.29 0.00 5.67 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 71 G 9.04 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 72 F 8.08 5.00 0.00 3.04 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 73 L 6.48 3.97 0.00 1.67 1.44 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.30 3.10 0.00 1.87 1.94 0.00 3.38 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 75 K 7.47 3.75 0.00 1.27 0.92 0.00 1.31 0.00 0.00 1.25 0.00 0.00 2.84 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.65 0.21 7.81 76 F 6.95 4.74 0.00 3.06 2.91 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 77 G 8.72 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 78 L 7.29 4.62 0.00 1.68 1.65 0.90 0.65 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 79 S 8.17 5.68 0.00 3.87 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 80 R 9.23 3.40 0.00 1.96 1.58 0.00 3.18 0.00 0.00 3.41 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 81 I 8.93 3.58 1.86 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 1.64 0.69 0.90 0.00 0.00 82 K 8.42 3.87 0.00 1.98 1.89 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.61 7.81 83 V 7.68 3.31 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 0.12 0.00 0.00 0.84 0.00 0.00 84 R 7.96 3.78 0.00 1.86 2.06 0.00 3.13 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 85 E 8.75 3.87 0.00 2.10 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 2.31 2.44 0.00 86 A 8.46 4.41 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 87 A 7.93 3.80 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 88 M 7.89 4.05 0.00 1.98 2.12 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 2.61 2.87 0.00 89 R 8.27 4.29 0.00 1.72 1.95 0.00 3.27 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 90 G 8.19 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 91 E 7.93 4.04 0.00 2.21 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 2.33 2.29 0.00 92 I 6.99 4.39 1.82 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.52 1.01 0.00 0.00 93 P 0.00 4.15 0.00 2.20 2.08 0.00 3.90 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 2.05 2.00 0.00 94 G 8.60 3.69 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 0.00 0.00 0.00 95 L 7.50 4.13 0.00 1.73 1.57 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.21 4.69 0.00 1.86 1.76 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.43 7.81 97 K 8.52 3.80 0.00 1.79 1.86 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.43 7.81 98 A 8.36 4.89 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 99 S 8.55 4.81 0.00 3.98 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 0.00 100 W 8.21 4.47 0.00 3.37 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 * Residues marked with a * may have inaccurate shift predictions.