NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3498 8.1733 120.0849 56.0438 35.4693 175.2449 4 I 4.4332 7.8934 121.7915 59.3736 38.6127 173.7102 5 R 5.6573 9.0761 128.0513 54.0916 33.6304 175.0426 6 I 5.5791 8.0077 117.7255 58.9585 40.2342 174.1688 7 K 4.4353 8.6812 128.1997 55.7844 33.3229 176.2996 8 L 5.0353 8.8553 126.9989 52.0041 42.7471 175.8484 9 R 5.3842 7.6840 132.9404 56.8529 31.7780 177.0548 10 G 3.8794 8.9816 112.9649 46.0046 0.0000 173.8027 11 F 4.7685 8.3537 117.3337 59.1532 39.8928 176.3293 12 D 4.7396 8.0058 121.1760 53.2194 41.8395 176.5239 13 H 4.0443 8.8507 123.0359 58.2509 28.3807 177.1695 14 K 3.9739 8.1619 122.5333 58.8016 31.9983 178.6584 15 T 3.8728 8.0247 109.2510 65.9916 68.3489 174.7965 16 L 3.9632 8.3741 123.4847 56.7792 41.6506 177.7846 17 D 4.3257 7.8377 120.3689 57.8658 41.7053 178.4218 18 A 3.9595 8.8509 121.6298 54.1239 18.0450 178.8292 19 S 4.0848 7.2520 116.0250 60.2942 63.6915 177.0233 20 A 4.0360 8.3482 125.1362 54.7089 17.9084 178.3058 21 Q 4.2141 8.0055 115.6242 56.6261 28.9519 176.8282 22 K 4.3457 7.9692 121.0371 59.5113 32.1899 178.4140 23 I 3.5666 7.4523 118.5391 62.7652 37.4232 176.3488 24 V 4.3396 7.5665 120.2737 61.9621 31.0643 175.0678 25 E 4.7386 7.4239 119.6633 56.6951 37.3719 177.5606 26 A 4.0310 8.0671 120.1652 54.0044 18.4724 179.0171 27 A 4.1398 7.4405 119.7063 54.5668 19.3995 179.7199 28 R 3.8957 7.9009 114.5556 59.3331 30.1923 178.8782 29 R 4.1229 8.6431 118.4961 58.4270 30.2931 177.7265 30 S 4.7900 7.5947 111.7470 57.2933 63.4407 173.5805 31 G 4.1393 8.0964 107.6015 44.5895 0.0000 172.6981 32 A 3.9581 8.1208 122.2707 53.9292 18.6644 177.6378 33 Q 4.7350 7.9066 110.9044 53.3379 34.5945 174.5467 34 V 4.9342 8.1208 120.1742 61.0274 34.6304 174.9214 35 S 4.2700 8.9014 123.5942 58.1596 63.3724 174.7418 36 G 3.6220 8.6853 112.2113 44.5582 0.0000 170.4340 37 P 4.2918 0.0000 0.0000 62.7118 32.0784 175.3675 38 I 4.3707 8.5476 119.7011 58.6941 39.5995 173.1722 39 P 5.1884 0.0000 0.0000 60.6088 31.3433 175.0273 40 L 4.3276 7.9309 123.8299 54.7586 41.1527 175.3478 41 P 4.2933 0.0000 0.0000 63.6773 31.6254 175.2644 42 T 4.5381 8.1430 115.4479 62.3160 70.2886 174.6692 43 R 4.5002 8.3775 124.3774 54.7689 31.4452 175.7896 44 V 3.9072 8.2368 124.6871 60.9706 31.4788 176.6715 45 R 4.3895 8.0458 123.5260 54.5216 29.5045 174.4282 46 R 4.4348 7.5875 120.7166 55.6562 32.1583 176.4040 47 F 4.8302 8.8348 118.6099 56.5834 42.9854 174.7682 48 T 4.8846 8.5600 120.5152 62.6542 70.5514 173.9579 49 V 4.1976 7.3337 121.2978 61.7643 35.0943 171.2711 50 I 4.4532 8.3182 122.1114 60.3115 38.1935 176.5805 51 R 3.9520 8.6961 124.5543 59.4120 30.0703 177.8376 52 G 3.9965 7.8028 104.5177 44.4630 0.0000 171.2534 53 P 4.5892 0.0000 0.0000 64.0532 33.4436 176.8377 54 F 4.3365 8.6970 120.2281 58.6272 37.6160 176.7454 55 K 4.3296 8.8402 112.1295 56.6768 35.9978 177.0780 56 H 4.5943 8.9292 121.7672 60.0502 30.3372 177.9340 57 K 4.6328 7.4231 121.6731 59.3152 34.6445 175.0468 58 D 4.4234 7.8950 118.5390 56.6155 42.3818 177.6414 59 S 3.6056 7.5827 106.7655 60.6215 60.1808 172.5758 60 R 4.8503 7.1185 124.4860 55.2342 31.4176 175.4207 61 E 4.6866 8.2881 116.2727 55.8133 33.4604 175.2013 62 H 4.9653 8.6142 121.5703 53.7385 32.1545 172.4725 63 F 5.1707 8.6656 114.2155 55.4597 41.6009 174.1560 64 E 4.4259 8.8592 119.5962 56.0078 31.4707 176.8917 65 L 4.5453 7.4533 118.8072 53.8479 42.7031 174.5296 66 R 3.8283 7.9695 119.4632 56.9046 31.1373 177.3668 67 T 4.7623 7.9711 117.9027 60.0433 67.6209 173.1912 68 H 4.5363 8.9305 124.4760 55.7243 30.2820 173.8149 69 N 5.4584 8.4421 116.1480 51.9586 43.2696 173.8668 70 R 4.6937 8.5081 120.0440 55.8052 34.0590 173.3934 71 L 5.4196 8.9159 129.1890 53.1233 45.1135 175.1714 72 V 4.7675 7.9563 121.5316 61.8835 35.1195 172.4544 73 D 5.8500 9.5024 126.9417 51.5042 45.0317 174.7699 74 I 4.7846 8.1896 113.8239 58.8289 40.7217 175.2076 75 I 4.7283 7.8238 121.0655 57.6752 35.6076 175.4052 76 N 4.5303 7.3787 119.3592 53.8297 40.4274 172.8865 77 P 4.7987 0.0000 0.0000 61.9231 31.6307 176.4007 78 N 4.5719 8.5337 117.1271 52.3416 38.1822 176.0773 79 R 3.9016 8.7959 120.9833 60.3361 29.9326 177.9461 80 K 3.8475 8.3479 117.2430 59.7167 31.8883 178.6236 81 T 4.0048 8.5663 110.6619 64.7396 68.9738 176.2246 82 I 3.6784 7.6441 122.7546 64.9527 36.8926 177.2624 83 E 4.0892 8.3643 118.7636 58.0300 29.0395 178.6726 84 Q 4.0742 8.2028 117.7846 59.4345 29.1895 180.1564 85 L 4.0617 7.8908 119.4634 57.8109 41.7700 178.8180 86 M 4.0627 7.3840 114.5218 57.1792 32.3381 175.5288 87 T 4.7006 8.1486 106.6650 63.5639 75.8387 174.7626 88 L 4.2648 7.4248 127.5723 53.0655 40.5062 174.8087 89 D 5.2749 7.7465 123.7572 52.9361 44.3047 176.3934 90 L 4.4741 7.8822 117.3508 53.2672 42.6774 175.3880 91 P 4.5249 0.0000 0.0000 61.5930 29.8716 176.0102 92 T 3.7153 8.2710 121.8079 65.3833 67.4612 174.1641 93 G 4.5118 7.0049 111.4529 45.2109 0.0000 172.7858 94 V 4.1113 7.7352 119.1477 61.4447 32.9119 175.1467 95 E 4.5235 8.5168 126.4727 55.6912 31.2924 174.9498 96 I 4.8373 8.0534 116.4430 59.2827 41.1125 174.2471 97 E 4.5405 8.5292 123.3008 54.8395 33.3062 175.2561 98 I 4.6919 8.3481 126.1755 59.8345 36.4927 175.0197 99 K 4.6162 8.8189 126.3515 56.1878 35.6134 175.4191 100 T 5.4491 8.1117 109.0457 63.3054 71.0221 174.7141 *101 V 3.9074 8.5277 122.6986 60.9163 32.4044 171.8068 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 3 K 8.17 4.35 0.00 1.73 1.92 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.48 7.81 4 I 7.89 4.43 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 1.11 0.79 0.98 0.00 0.00 5 R 9.08 5.66 0.00 1.83 1.75 0.00 3.10 0.00 0.00 3.31 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 6 I 8.01 5.58 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 1.51 0.91 0.92 0.00 0.00 7 K 8.68 4.44 0.00 1.70 1.79 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.41 7.81 8 L 8.86 5.04 0.00 1.75 1.59 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.68 5.38 0.00 1.66 1.68 0.00 3.24 0.00 0.00 3.89 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.46 0.00 10 G 8.98 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 0.00 0.00 0.00 11 F 8.35 4.77 0.00 3.02 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 12 D 8.01 4.74 0.00 2.77 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 13 H 8.85 4.04 0.00 3.10 3.32 0.00 5.50 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.16 3.97 0.00 1.92 1.82 0.00 2.29 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.51 7.81 15 T 8.02 3.87 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 1.27 0.00 0.00 16 L 8.37 3.96 0.00 1.78 1.62 0.92 1.41 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 17 D 7.84 4.33 0.00 2.88 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.85 3.96 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 19 S 7.25 4.08 0.00 4.00 4.15 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 20 A 8.35 4.04 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 21 Q 8.01 4.21 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 22 K 7.97 4.35 0.00 1.79 1.89 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.61 7.81 23 I 7.45 3.57 1.87 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 1.40 0.84 0.91 0.00 0.00 24 V 7.57 4.34 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 0.81 0.00 0.00 0.93 0.00 0.00 25 E 7.42 4.74 0.00 2.18 1.82 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 2.30 2.44 0.00 26 A 8.07 4.03 1.28 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 0.00 0.00 0.00 27 A 7.44 4.14 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 28 R 7.90 3.90 0.00 1.90 2.01 0.00 3.22 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 29 R 8.64 4.12 0.00 1.79 2.03 0.00 3.19 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 30 S 7.59 4.79 0.00 4.09 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 31 G 8.10 4.14 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 0.00 0.00 0.00 32 A 8.12 3.96 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 33 Q 7.91 4.74 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 34 V 8.12 4.93 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 0.91 0.00 0.00 0.93 0.00 0.00 35 S 8.90 4.27 0.00 3.91 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 36 G 8.69 3.62 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 0.00 0.00 0.00 37 P 0.00 4.29 0.00 1.94 2.09 0.00 3.66 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 2.03 2.12 0.00 38 I 8.55 4.37 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 1.46 1.21 0.98 0.00 0.00 39 P 0.00 5.19 0.00 2.11 2.15 0.00 3.78 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 40 L 7.93 4.33 0.00 1.75 1.73 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.29 0.00 2.19 2.14 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 42 T 8.14 4.54 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 1.10 0.00 0.00 43 R 8.38 4.50 0.00 1.72 1.86 0.00 3.27 0.00 0.00 3.39 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 44 V 8.24 3.91 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 0.58 0.00 0.00 0.87 0.00 0.00 45 R 8.05 4.39 0.00 1.74 1.64 0.00 3.42 0.00 0.00 2.88 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.51 0.00 46 R 7.59 4.43 0.00 1.57 1.73 0.00 3.10 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 47 F 8.83 4.83 0.00 3.23 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 48 T 8.56 4.88 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 1.18 0.00 0.00 49 V 7.33 4.20 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 0.57 0.00 0.00 0.94 0.00 0.00 50 I 8.32 4.45 1.87 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 1.40 0.82 0.91 0.00 0.00 51 R 8.70 3.95 0.00 1.80 1.99 0.00 3.19 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 52 G 7.80 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 53 P 0.00 4.59 0.00 2.26 2.23 0.00 3.85 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 2.05 1.98 0.00 54 F 8.70 4.34 0.00 2.90 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 55 K 8.84 4.33 0.00 1.63 1.33 0.00 0.79 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 1.18 7.81 56 H 8.93 4.59 0.00 3.18 3.24 0.00 5.63 0.00 0.00 0.00 0.00 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.42 4.63 0.00 1.72 1.88 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.43 7.81 58 D 7.89 4.42 0.00 2.74 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 59 S 7.58 3.61 0.00 3.89 4.16 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 60 R 7.12 4.85 0.00 2.08 1.93 0.00 3.02 0.00 0.00 3.20 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 61 E 8.29 4.69 0.00 1.96 1.64 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 1.87 2.15 0.00 62 H 8.61 4.97 0.00 3.12 3.05 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.67 5.17 0.00 3.04 3.21 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 64 E 8.86 4.43 0.00 1.96 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 2.30 2.32 0.00 65 L 7.45 4.55 0.00 1.86 1.77 0.74 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.97 3.83 0.00 1.73 1.71 0.00 3.22 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 67 T 7.97 4.76 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 1.34 0.00 0.00 68 H 8.93 4.54 0.00 3.37 3.28 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.44 5.46 0.00 2.80 2.66 0.00 0.00 6.28 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 70 R 8.51 4.69 0.00 1.83 1.74 0.00 3.11 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 71 L 8.92 5.42 0.00 1.76 1.48 1.00 0.66 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 72 V 7.96 4.77 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 0.90 0.00 0.00 0.93 0.00 0.00 73 D 9.50 5.85 0.00 2.59 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.19 4.78 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 1.56 0.95 0.91 0.00 0.00 75 I 7.82 4.73 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 1.22 0.69 0.94 0.00 0.00 76 N 7.38 4.53 0.00 2.78 2.69 0.00 0.00 7.08 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 77 P 0.00 4.80 0.00 2.08 2.05 0.00 3.73 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 2.06 0.00 78 N 8.53 4.57 0.00 2.85 3.26 0.00 0.00 6.99 8.45 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 79 R 8.80 3.90 0.00 1.83 2.07 0.00 3.31 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 80 K 8.35 3.85 0.00 1.96 1.90 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.53 1.46 7.81 81 T 8.57 4.00 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 1.29 0.00 0.00 82 I 7.64 3.68 2.03 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 1.71 1.21 0.91 0.00 0.00 83 E 8.36 4.09 0.00 2.30 1.90 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 2.34 2.34 0.00 84 Q 8.20 4.07 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 85 L 7.89 4.06 0.00 1.71 1.69 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 86 M 7.38 4.06 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 87 T 8.15 4.70 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 88 L 7.42 4.26 0.00 1.58 1.86 0.92 1.65 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 89 D 7.75 5.27 0.00 2.65 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 90 L 7.88 4.47 0.00 1.56 1.60 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.52 0.00 2.19 2.19 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 92 T 8.27 3.72 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 93 G 7.00 4.51 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 0.00 94 V 7.74 4.11 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 0.83 0.00 0.00 0.95 0.00 0.00 95 E 8.52 4.52 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 2.32 2.33 0.00 96 I 8.05 4.84 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.09 0.89 0.00 0.00 97 E 8.53 4.54 0.00 2.18 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 2.20 2.40 0.00 98 I 8.35 4.69 1.87 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 1.34 0.45 0.91 0.00 0.00 99 K 8.82 4.62 0.00 1.62 1.76 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.52 7.81 100 T 8.11 5.45 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 1.24 0.00 0.00 *101 V 8.53 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.