NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2829 8.2644 123.5827 52.9170 19.3481 177.5865 2 K 4.1857 8.2391 105.4244 54.4827 33.7473 174.2208 3 Q 4.0376 9.3026 125.2048 58.8974 29.2757 178.4945 4 S 4.0672 7.9568 115.0479 61.7933 62.7803 176.1251 5 M 3.8491 7.9453 118.7682 58.6152 32.2616 177.6564 6 K 3.9780 7.7110 118.1447 59.5963 32.1736 178.7165 7 A 3.9385 8.0017 120.6618 55.5607 17.7645 179.4938 8 R 3.7628 7.3978 116.7401 59.9772 30.1631 178.3103 9 E 3.7828 8.0498 118.1409 59.0536 29.5363 179.3676 10 V 3.5984 7.2816 117.9233 66.2032 31.5582 178.4250 11 K 4.1056 7.6168 117.3106 59.0809 31.3501 179.5584 12 R 3.9439 7.5798 118.0464 58.9019 29.6437 178.8425 13 V 3.8413 7.5437 116.7082 65.0387 31.4580 177.7258 14 A 4.1485 7.7685 120.7212 55.3569 18.2885 179.7221 15 L 4.2725 7.9844 116.3346 57.4689 41.5435 179.1466 16 A 4.1303 7.5218 119.7593 54.5775 18.3614 177.3125 17 D 5.4367 7.8004 114.8053 53.1083 42.3268 176.4629 18 K 4.3402 8.2586 118.9346 56.7114 34.5887 175.8765 19 Y 4.8073 8.4140 112.9868 57.0817 39.6171 174.5586 20 F 4.7531 8.0977 120.6984 57.9222 42.3842 173.0728 21 A 4.0068 8.6413 127.1608 52.6432 15.9755 179.3636 22 K 4.6254 7.5376 108.8097 56.4009 35.2972 176.7481 23 R 4.2686 7.8911 117.4099 58.0395 31.2442 177.6823 24 A 3.7565 7.6243 118.7955 54.4069 18.3798 176.8489 25 E 4.1416 7.4586 117.1567 55.7460 28.6531 174.1238 26 L 4.5837 7.6426 126.7151 54.9121 44.4123 175.2366 27 K 3.9951 8.5569 117.9110 58.9639 32.1824 177.9817 28 A 3.5565 7.9543 120.1060 52.3670 17.9973 176.0335 29 I 3.7221 8.3452 107.0253 64.7539 37.2428 178.6176 30 I 3.8600 7.6895 109.8863 60.8562 36.7275 177.0155 31 S 4.6876 7.6032 111.1003 60.2412 66.7663 174.4062 32 D 4.7548 7.9396 122.5311 54.1056 41.9351 176.7488 33 V 4.1171 8.3857 115.5421 63.1808 32.6451 177.1441 34 N 4.4017 8.2598 117.0242 55.7680 38.6342 174.5112 35 A 4.3856 7.4227 118.0395 51.3716 22.2022 174.7974 *40 R 4.3370 8.0929 116.9157 56.3346 31.4056 176.0105 41 W 4.6600 8.0729 127.6159 56.8255 32.5846 174.4721 42 N 4.2257 8.8819 125.8527 55.9457 38.4356 175.5254 43 A 3.5467 6.6883 117.2816 54.6567 17.7198 179.0274 44 V 3.4498 6.6675 108.7942 64.3494 32.3157 177.3850 45 L 3.8364 7.6674 118.5399 58.6199 41.2337 178.5620 46 K 3.9821 8.4701 119.6468 59.0443 32.5236 178.0377 47 L 4.5943 7.1443 117.1555 54.5207 42.0869 176.4582 48 Q 4.5730 7.8983 116.8008 55.7160 29.8515 176.2174 49 T 4.2609 7.6089 108.1532 62.7237 69.9671 175.8351 50 L 4.0537 7.3788 124.1407 57.3698 42.1041 175.5233 51 P 4.6562 0.0000 0.0000 62.2936 32.5356 174.6381 52 R 4.4441 8.4332 118.6071 58.0229 32.5867 175.9766 53 D 3.9959 8.1272 117.0435 54.1202 39.9297 173.1367 54 S 4.1217 8.3079 112.2498 58.6736 63.2943 174.0894 55 S 3.5587 7.7043 120.0156 56.1962 66.3517 173.5210 56 P 4.4162 0.0000 0.0000 64.5816 31.4471 177.7329 57 S 4.4016 7.8408 113.9280 59.6540 63.2759 174.6301 58 R 4.4185 7.4472 118.2202 55.7009 30.0274 175.8101 59 Q 4.5580 7.3949 117.1861 54.0251 31.2550 175.7199 60 R 4.3688 8.2286 121.3203 55.1185 31.5860 176.5166 61 N 4.2666 8.4781 117.6798 55.0388 38.8090 173.7757 62 R 3.5036 7.1105 120.5861 54.9184 30.3734 175.5656 63 C 4.5974 7.4891 119.9920 59.7747 32.1562 174.1248 64 R 4.5437 8.5477 123.0289 56.2751 30.0738 177.2647 65 Q 4.6263 7.8156 113.2359 56.8896 31.1848 174.6093 66 T 4.6059 7.8108 113.8843 64.6643 74.5710 175.6998 67 G 3.7904 8.0557 107.2217 45.9278 0.0000 173.3494 68 R 4.4896 7.7870 115.2648 53.8704 31.3555 174.8324 69 P 4.4120 0.0000 0.0000 63.7294 32.4018 175.6112 70 H 4.4173 8.0550 117.2758 56.8582 28.5794 175.2290 71 G 3.9284 9.1252 112.2794 45.8296 0.0000 172.6646 72 F 4.1632 8.1439 120.6712 57.6827 40.1003 174.8408 73 L 4.3408 6.5229 125.9217 52.6746 43.9155 177.3537 74 R 3.9764 8.4740 123.8122 59.3267 30.1327 179.2828 75 K 3.4771 7.7156 114.8203 58.6603 31.5644 177.3550 76 F 4.6184 7.3012 112.9040 56.1329 40.5242 176.6596 77 G 3.9554 8.1515 108.6622 45.5717 0.0000 172.9129 78 L 5.0821 7.2186 119.4313 52.6565 45.6323 176.0218 79 S 4.6667 8.5279 114.8200 56.9854 64.8948 174.3281 80 R 3.3405 7.9512 114.4462 59.8606 30.1068 177.7131 81 I 3.6907 8.7145 117.3405 64.8436 37.9823 178.2639 82 K 5.3313 7.4513 115.9800 56.4392 31.4298 177.2721 83 V 4.0506 7.3824 116.6757 64.1110 33.8258 177.3099 84 R 3.8028 8.1437 118.5137 60.3216 29.8513 177.9615 85 E 3.7413 8.3046 116.9974 59.8019 29.2857 179.4611 86 A 4.2716 8.1152 120.6868 54.8985 18.3557 179.1428 87 A 3.8603 7.9880 118.9599 55.8004 18.0811 179.8816 88 M 4.0163 7.9097 116.1448 58.5768 32.2162 178.9538 89 R 4.0905 7.5098 116.5882 57.0561 30.6344 176.6936 90 G 3.7585 7.8492 105.8868 46.4278 0.0000 174.1523 91 E 4.3383 8.0763 118.3935 56.3355 30.7319 176.3460 92 I 4.6141 7.3414 119.4544 58.0752 39.4426 173.4329 93 P 4.1811 0.0000 0.0000 64.1063 31.3933 177.6047 94 G 4.0115 8.9372 110.9041 45.4268 0.0000 173.6036 95 L 4.1554 7.2656 119.7874 54.5998 42.0529 176.3646 96 K 4.5733 8.0015 120.5150 55.2644 35.4771 175.2370 97 K 4.1203 8.3607 120.4545 55.5461 32.8024 176.3877 98 A 4.2118 8.3946 128.4189 52.9445 18.7405 177.9279 99 S 4.6457 8.4304 114.5295 59.0435 67.8766 175.1874 100 W 4.4144 8.5054 126.0952 56.9948 28.9286 176.0295 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 4.28 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 2 K 8.24 4.19 0.00 1.81 1.63 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.52 7.81 3 Q 9.30 4.04 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 4 S 7.96 4.07 0.00 3.85 3.90 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 0.00 0.00 0.00 5 M 7.95 3.85 0.00 2.14 2.09 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 2.56 2.81 0.00 6 K 7.71 3.98 0.00 2.03 1.85 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.46 7.81 7 A 8.00 3.94 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 8 R 7.40 3.76 0.00 1.73 2.10 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 9 E 8.05 3.78 0.00 2.18 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 2.28 2.44 0.00 10 V 7.28 3.60 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 1.03 0.00 0.00 1.01 0.00 0.00 11 K 7.62 4.11 0.00 1.71 1.84 0.00 1.85 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.52 7.81 12 R 7.58 3.94 0.00 2.07 2.00 0.00 3.06 0.00 0.00 3.05 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 13 V 7.54 3.84 2.14 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 0.81 0.00 0.00 0.93 0.00 0.00 14 A 7.77 4.15 1.38 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 0.00 0.00 15 L 7.98 4.27 0.00 1.74 1.86 0.90 0.88 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 16 A 7.52 4.13 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 17 D 7.80 5.44 0.00 2.65 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 18 K 8.26 4.34 0.00 1.71 1.68 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.62 1.20 7.81 19 Y 8.41 4.81 0.00 3.01 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 20 F 8.10 4.75 0.00 3.03 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 21 A 8.64 4.01 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 0.00 0.00 22 K 7.54 4.63 0.00 1.62 1.72 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.47 7.81 23 R 7.89 4.27 0.00 1.73 1.95 0.00 3.27 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 24 A 7.62 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.46 4.14 0.00 1.78 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 2.19 2.29 0.00 26 L 7.64 4.58 0.00 1.61 1.66 0.90 0.71 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 27 K 8.56 4.00 0.00 1.81 1.89 0.00 1.91 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.52 1.37 7.81 28 A 7.95 3.56 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 29 I 8.35 3.72 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 1.50 0.62 0.92 0.00 0.00 30 I 7.69 3.86 2.11 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 1.02 0.00 0.00 31 S 7.60 4.69 0.00 3.95 3.83 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 32 D 7.94 4.75 0.00 2.65 2.42 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 33 V 8.39 4.12 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 0.73 0.00 0.00 0.94 0.00 0.00 34 N 8.26 4.40 0.00 2.88 2.88 0.00 0.00 6.70 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 7.42 4.39 1.26 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 0.00 0.00 *40 R 8.09 4.34 0.00 1.89 1.98 0.00 3.49 0.00 0.00 2.57 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 41 W 8.07 4.66 0.00 3.23 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 42 N 8.88 4.23 0.00 2.87 2.77 0.00 0.00 7.00 8.16 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 43 A 6.69 3.55 0.15 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 0.00 0.00 44 V 6.67 3.45 1.94 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 0.70 0.00 0.00 0.78 0.00 0.00 45 L 7.67 3.84 0.00 1.87 1.57 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.47 3.98 0.00 1.99 2.01 0.00 1.30 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.59 1.42 7.81 47 L 7.14 4.59 0.00 1.57 1.66 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.90 4.57 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.88 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 49 T 7.61 4.26 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 1.25 0.00 0.00 50 L 7.38 4.05 0.00 1.67 1.90 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.66 0.00 2.29 2.06 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 52 R 8.43 4.44 0.00 1.76 1.92 0.00 3.38 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 53 D 8.13 4.00 0.00 2.91 2.59 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 0.00 0.00 0.00 0.00 54 S 8.31 4.12 0.00 3.78 3.67 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 55 S 7.70 3.56 0.00 3.61 3.42 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 56 P 0.00 4.42 0.00 2.24 2.32 0.00 3.57 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 57 S 7.84 4.40 0.00 3.87 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 58 R 7.45 4.42 0.00 1.81 1.87 0.00 3.01 0.00 0.00 3.11 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 59 Q 7.39 4.56 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.86 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 60 R 8.23 4.37 0.00 1.66 1.69 0.00 3.20 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 61 N 8.48 4.27 0.00 2.25 2.82 0.00 0.00 6.99 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 62 R 7.11 3.50 0.00 1.80 1.79 0.00 3.39 0.00 0.00 2.98 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.55 0.00 63 C 7.49 4.60 0.00 3.21 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 64 R 8.55 4.54 0.00 1.88 1.94 0.00 3.30 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 65 Q 7.82 4.63 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 66 T 7.81 4.61 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 1.23 0.00 0.00 67 G 8.06 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 7.79 4.49 0.00 1.98 2.05 0.00 3.12 0.00 0.00 3.43 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 69 P 0.00 4.41 0.00 2.14 2.11 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 70 H 8.06 4.42 0.00 3.19 3.25 0.00 5.76 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 9.13 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 0.00 0.00 0.00 72 F 8.14 4.16 0.00 3.19 3.06 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 0.00 0.00 0.00 0.00 73 L 6.52 4.34 0.00 1.70 1.53 0.97 0.87 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 74 R 8.47 3.98 0.00 1.77 1.97 0.00 3.16 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.81 0.00 75 K 7.72 3.48 0.00 0.79 0.83 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.19 1.25 7.81 76 F 7.30 4.62 0.00 3.08 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 77 G 8.15 3.96 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 78 L 7.22 5.08 0.00 1.90 1.60 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.53 4.67 0.00 4.10 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 0.00 80 R 7.95 3.34 0.00 2.10 1.79 0.00 3.14 0.00 0.00 3.18 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 81 I 8.71 3.69 1.88 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 1.43 0.68 0.93 0.00 0.00 82 K 7.45 5.33 0.00 1.96 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.52 7.81 83 V 7.38 4.05 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 0.53 0.00 0.00 0.82 0.00 0.00 84 R 8.14 3.80 0.00 1.83 2.01 0.00 3.41 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 85 E 8.30 3.74 0.00 2.03 1.94 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 2.33 2.57 0.00 86 A 8.12 4.27 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 87 A 7.99 3.86 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 88 M 7.91 4.02 0.00 2.00 2.26 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.55 0.00 89 R 7.51 4.09 0.00 1.89 1.98 0.00 3.17 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 90 G 7.85 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 91 E 8.08 4.34 0.00 2.02 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 2.33 2.50 0.00 92 I 7.34 4.61 1.83 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 1.44 0.57 0.91 0.00 0.00 93 P 0.00 4.18 0.00 2.23 2.21 0.00 3.76 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 2.09 1.98 0.00 94 G 8.94 4.01 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 0.00 0.00 0.00 95 L 7.27 4.16 0.00 1.62 1.56 0.70 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.00 4.57 0.00 1.84 1.76 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.46 7.81 97 K 8.36 4.12 0.00 1.73 1.76 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.51 7.81 98 A 8.39 4.21 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 99 S 8.43 4.65 0.00 3.95 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 0.00 100 W 8.51 4.41 0.00 3.14 3.27 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 * Residues marked with a * may have inaccurate shift predictions.