NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7340 8.2085 109.7360 45.5424 0.0000 174.6721 *2 A 4.2830 8.3454 127.2834 51.2845 21.1243 177.6628 3 D 4.6717 7.9439 113.9477 54.3781 41.5761 176.6552 4 I 4.2546 7.3716 120.7011 59.6895 38.5807 175.9060 5 D 4.4897 8.4962 124.3599 53.6701 41.0056 177.4036 6 Q 3.9286 8.7319 121.8249 59.4125 28.9855 178.8832 7 A 3.9498 7.9601 121.1192 55.2678 18.3594 179.4112 8 S 4.0583 8.4942 112.7574 61.6946 63.0071 176.6416 9 K 4.0614 7.9031 120.7185 59.8393 32.2231 178.4268 10 T 4.2278 8.0215 115.9865 66.7477 68.3330 177.3145 11 E 4.2152 8.1266 117.3576 57.1085 29.3396 178.7837 *13 E 4.2615 8.1865 120.4954 56.5139 31.7676 178.1479 14 A 4.0558 8.3275 120.2072 55.2290 18.3443 179.4414 15 A 3.9989 8.5405 119.5065 55.4188 18.4231 179.7804 16 A 4.0262 8.0142 118.7791 54.9820 18.5716 179.4503 17 F 4.0759 8.5444 119.3694 61.6396 39.5422 177.5247 18 R 3.8862 8.5447 118.0528 59.4635 29.8604 178.3288 19 H 4.0605 8.6142 118.4020 59.3537 29.7227 176.9649 20 L 3.9433 7.8849 121.8756 58.0650 41.8969 178.7771 21 L 3.6855 7.5946 118.8576 57.8655 41.5077 179.8466 22 R 3.8322 7.8997 117.8255 59.2750 29.7639 178.3190 23 H 4.0627 8.3982 117.3489 59.6044 30.1346 176.9625 24 L 4.0913 8.1530 120.7606 57.7516 41.1728 179.0397 25 D 4.3426 7.9453 117.1964 56.9921 41.2227 177.4276 26 E 4.1780 7.9873 117.0093 57.2082 30.8692 176.1245 27 H 5.0629 7.8609 116.1769 54.7926 29.2207 175.1267 28 K 4.2244 7.8604 118.1224 58.4754 32.6113 178.8233 29 D 4.3415 8.0515 118.2162 55.9148 39.4061 176.5224 30 V 3.7693 7.7126 119.8033 62.2449 30.6362 176.0753 31 Q 4.4615 8.4392 126.9379 55.4938 30.6359 176.7746 32 N 4.3113 8.9390 120.3701 56.5616 38.6750 177.2414 33 I 3.8357 7.7263 118.8545 64.2142 38.3965 177.2376 34 D 4.5507 8.0422 119.2964 57.0648 40.5819 179.0959 35 L 3.9691 7.5029 116.3751 55.1608 41.1496 179.2442 *37 I 4.0807 7.6346 119.9596 61.6160 38.7997 177.2945 38 Q 4.2043 8.3202 117.1093 57.3739 27.8142 176.6663 39 A 4.6342 7.9988 118.0481 50.3359 20.5073 176.1015 40 D 4.7201 8.6957 113.3408 54.4145 39.6091 172.6209 41 F 4.9845 7.3914 110.4672 55.6384 41.3012 172.7417 42 C 4.1869 7.9230 113.8640 56.3662 32.0239 174.2919 43 R 3.6884 8.3307 117.1993 59.7492 29.1883 178.8558 44 N 4.4097 8.0190 115.9141 56.2584 38.5480 176.9644 45 C 3.7172 7.8354 117.6801 62.7052 28.2012 175.8320 46 L 3.7749 7.2974 119.6326 57.7454 40.9696 179.5857 47 A 4.1115 7.6282 119.1938 55.1302 18.4361 179.4229 48 K 4.1418 8.0806 115.9921 59.5888 32.4505 179.2480 49 W 4.6687 8.4936 119.5414 59.6146 28.8563 179.4419 50 L 4.2421 8.1798 117.8275 55.0446 40.9741 179.0432 *52 E 4.2367 8.2658 120.4214 56.4743 31.5456 178.3226 53 A 3.9473 8.1332 119.4754 54.8042 18.6382 179.0115 54 A 4.0677 8.2812 119.7477 55.8855 18.3154 179.7836 55 T 3.8297 7.9937 113.4591 67.1453 68.2880 176.3967 56 E 3.9964 7.7786 118.8230 58.8449 29.5406 178.4259 57 Q 4.4309 7.8682 115.4595 54.9362 29.2173 176.0786 58 G 3.8989 7.6779 108.0709 46.3128 0.0000 173.9454 59 V 4.4848 7.4520 110.5628 58.7445 35.1672 174.8823 60 E 4.1627 8.5580 123.0570 55.5556 30.1656 176.0231 61 L 4.4376 8.1848 127.6010 52.6610 44.0605 175.7604 62 D 4.7919 8.4733 126.9774 52.4794 42.1614 176.3671 63 Y 4.3515 8.4515 119.2390 61.1049 38.6925 177.4330 64 D 4.3176 8.2317 119.5264 57.0669 41.0002 178.7413 65 G 3.6449 9.1227 106.3620 47.8735 0.0000 175.5338 66 A 4.1400 8.4142 124.2228 54.9165 18.3878 180.0081 67 R 3.9717 8.2824 116.9858 59.2562 30.1436 178.7200 68 E 4.0211 8.6336 119.6624 59.4655 29.3518 178.3566 69 Y 4.0919 7.8616 118.2813 60.7676 39.0411 177.8162 70 V 3.3975 7.7894 117.6751 66.0906 31.7758 177.1014 71 Y 3.9309 8.3517 114.3746 57.9020 37.9013 176.4446 72 G 3.7638 7.5541 107.4265 46.2379 0.0000 172.1051 *74 P 4.2083 0.0000 0.0000 61.6089 33.6003 176.8542 75 F 3.7120 8.7450 123.3101 61.3659 39.2868 177.1236 76 A 3.8657 8.0721 119.7360 55.3482 18.1515 179.1293 77 E 3.8472 8.0205 117.1271 58.9357 29.7329 178.5698 78 W 4.1342 8.0229 128.5894 60.2433 30.8206 177.8572 79 K 3.7917 8.1620 120.1614 59.7029 31.3702 178.9408 80 T 3.7954 7.4118 108.5004 64.3986 68.7107 175.9621 81 L 3.8416 7.2111 120.1641 55.9516 41.9907 177.1118 82 Y 4.2546 7.3115 114.0645 57.5675 40.1653 175.6571 83 Q 4.4627 7.4633 122.4583 54.8315 29.8890 175.5592 84 K 4.6839 8.4773 125.9133 51.7355 34.6205 171.5502 85 P 4.4210 0.0000 0.0000 62.4172 31.8974 176.4605 86 A 4.1591 8.4106 125.2392 51.7702 18.9760 177.8823 87 S 4.3057 8.6710 116.6140 58.6174 63.0344 174.1739 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 0 G 8.21 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 *2 A 8.35 4.28 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 3 D 7.94 4.67 0.00 2.82 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 4 I 7.37 4.25 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 1.47 0.67 0.93 0.00 0.00 5 D 8.50 4.49 0.00 2.86 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 6 Q 8.73 3.93 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 7 A 7.96 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.49 4.06 0.00 4.00 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 9 K 7.90 4.06 0.00 1.75 1.98 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 10 T 8.02 4.23 4.39 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 1.20 0.00 0.00 11 E 8.13 4.22 0.00 2.16 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 2.51 2.51 0.00 *13 E 8.19 4.26 0.00 2.21 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 2.30 2.46 0.00 14 A 8.33 4.06 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 15 A 8.54 4.00 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 16 A 8.01 4.03 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 17 F 8.54 4.08 0.00 3.20 3.32 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 18 R 8.54 3.89 0.00 2.06 2.01 0.00 3.32 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.06 0.00 19 H 8.61 4.06 0.00 3.35 3.41 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.88 3.94 0.00 1.75 1.60 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.59 3.69 0.00 1.60 1.37 0.57 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.90 3.83 0.00 1.99 1.92 0.00 3.09 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 23 H 8.40 4.06 0.00 3.23 3.53 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.15 4.09 0.00 1.56 1.56 0.83 1.21 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 25 D 7.95 4.34 0.00 2.63 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 26 E 7.99 4.18 0.00 2.15 1.83 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 2.28 2.28 0.00 27 H 7.86 5.06 0.00 3.14 3.19 0.00 5.82 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 28 K 7.86 4.22 0.00 1.47 1.38 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.50 7.81 29 D 8.05 4.34 0.00 2.80 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 30 V 7.71 3.77 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 0.76 0.00 0.00 0.95 0.00 0.00 31 Q 8.44 4.46 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.65 0.00 0.00 0.00 0.00 0.00 2.67 2.44 0.00 32 N 8.94 4.31 0.00 2.82 2.93 0.00 0.00 6.91 7.45 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 33 I 7.73 3.84 1.91 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 1.65 0.76 0.94 0.00 0.00 34 D 8.04 4.55 0.00 2.87 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 35 L 7.50 3.97 0.00 1.64 1.36 0.70 0.48 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 *37 I 7.63 4.08 2.00 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 1.42 0.56 0.91 0.00 0.00 38 Q 8.32 4.20 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.71 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 39 A 8.00 4.63 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 40 D 8.70 4.72 0.00 2.89 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 41 F 7.39 4.98 0.00 3.12 3.11 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 42 C 7.92 4.19 0.00 3.09 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 43 R 8.33 3.69 0.00 1.46 1.03 0.00 2.33 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.45 0.00 44 N 8.02 4.41 0.00 2.73 2.97 0.00 0.00 7.16 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 45 C 7.84 3.72 0.00 2.81 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 0.00 0.00 0.00 0.00 46 L 7.30 3.77 0.00 1.80 1.91 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.63 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 48 K 8.08 4.14 0.00 1.85 1.96 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.74 7.81 49 W 8.49 4.67 0.00 3.50 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 50 L 8.18 4.24 0.00 2.01 1.73 1.34 0.68 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 *52 E 8.27 4.24 0.00 2.26 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 2.34 2.58 0.00 53 A 8.13 3.95 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 54 A 8.28 4.07 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 55 T 7.99 3.83 4.41 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 1.20 0.00 0.00 56 E 7.78 4.00 0.00 2.12 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 2.32 2.46 0.00 57 Q 7.87 4.43 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.43 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 58 G 7.68 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 0.00 0.00 0.00 59 V 7.45 4.48 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 0.73 0.00 0.00 0.97 0.00 0.00 60 E 8.56 4.16 0.00 1.91 1.85 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 2.29 2.36 0.00 61 L 8.18 4.44 0.00 1.55 1.51 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.47 4.79 0.00 3.05 3.03 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 0.00 0.00 0.00 63 Y 8.45 4.35 0.00 2.97 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 64 D 8.23 4.32 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 9.12 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 4.14 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 67 R 8.28 3.97 0.00 1.58 1.83 0.00 2.44 0.00 0.00 2.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.78 0.00 68 E 8.63 4.02 0.00 2.14 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 0.00 2.39 2.48 0.00 69 Y 7.86 4.09 0.00 3.05 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 70 V 7.79 3.40 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 0.42 0.00 0.00 1.06 0.00 0.00 71 Y 8.35 3.93 0.00 2.96 2.77 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 72 G 7.55 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 *74 P 0.00 4.21 0.00 2.22 2.05 0.00 3.81 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 2.04 2.18 0.00 75 F 8.74 3.71 0.00 2.69 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 76 A 8.07 3.87 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 77 E 8.02 3.85 0.00 2.04 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 0.00 2.42 2.33 0.00 78 W 8.02 4.13 0.00 3.38 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 79 K 8.16 3.79 0.00 0.93 1.57 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.56 7.81 80 T 7.41 3.80 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 1.17 0.00 0.00 81 L 7.21 3.84 0.00 0.72 0.60 0.76 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.31 4.25 0.00 1.43 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 0.00 0.00 0.00 83 Q 7.46 4.46 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 84 K 8.48 4.68 0.00 1.79 1.54 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.26 0.99 7.81 85 P 0.00 4.42 0.00 2.04 2.02 0.00 3.64 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 2.02 2.08 0.00 86 A 8.41 4.16 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 87 S 8.67 4.31 0.00 3.99 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 * Residues marked with a * may have inaccurate shift predictions.