NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 E 4.4053 8.4449 116.7512 55.5031 31.3190 177.3230 3 C 5.2567 8.6114 115.4841 54.6650 41.6565 172.6346 4 S 3.9959 7.4220 110.7395 57.5592 65.8809 174.3450 5 V 4.4378 7.9346 119.4846 60.3375 34.8954 173.2775 6 D 5.2049 8.5595 122.9548 52.8580 42.6866 175.8315 7 I 4.7982 8.6543 123.5911 59.5750 41.4149 174.2714 8 Q 5.2523 9.5296 125.0721 54.1045 31.9293 174.7070 9 G 4.3658 9.0270 110.5185 44.5725 0.0000 172.3978 10 N 5.4818 8.3381 123.8227 51.3240 39.8399 174.5149 11 D 4.5575 8.8202 116.8497 56.2526 41.1174 176.8771 12 Q 4.4523 8.4258 118.3514 55.9780 29.5400 175.5928 13 M 2.9719 8.0203 113.4814 56.3410 29.6812 177.0532 14 Q 4.4288 7.2326 117.5545 54.2501 32.8396 173.7493 15 F 5.3933 8.6547 123.4639 57.1194 40.1623 175.0070 16 N 4.9077 8.5950 120.1872 52.9491 37.3306 174.6074 17 T 4.8191 7.7231 111.3963 61.3096 70.7272 172.7596 18 N 5.2295 8.7046 119.9421 53.1443 41.2755 174.2304 19 A 5.0398 8.2934 119.6480 51.3589 22.5496 175.6906 20 I 4.5490 9.6717 124.7336 60.0976 39.9946 174.9371 21 T 4.9314 8.5348 123.0391 61.9201 70.4341 173.8777 22 V 3.9192 8.4137 127.0859 60.9037 33.4154 174.6175 23 D 4.6753 8.6345 127.8477 53.5169 41.8948 176.5489 24 K 3.7976 8.4054 127.9602 59.6056 32.1925 177.8497 25 S 4.3068 8.9290 112.2348 60.0757 63.3648 173.7930 26 C 4.5031 8.0641 120.3148 56.8952 40.0396 173.6037 27 K 4.1726 8.7683 124.0091 58.4934 32.9929 176.8108 28 Q 5.0613 7.9219 116.0819 53.9248 32.0828 175.0197 29 F 4.7455 8.7460 122.4949 56.6033 43.1428 173.3168 30 T 4.7151 7.2800 119.3277 60.0209 70.8569 172.3582 31 V 4.2497 8.1865 127.8905 61.0846 33.8013 174.0190 32 N 4.8850 8.7858 126.5670 51.7673 39.8596 173.4241 33 L 5.1446 8.7795 127.6769 53.6005 44.3521 175.4639 34 S 5.1477 8.8866 119.1193 56.2280 67.5732 172.6037 35 H 6.0003 8.8199 118.8820 52.4177 30.4217 170.4160 36 P 4.7197 0.0000 0.0000 62.9319 32.6087 176.3586 37 G 3.8629 8.7787 105.9932 44.6840 0.0000 172.1337 38 N 4.9139 9.6205 114.1893 52.5965 40.9250 174.4988 39 L 4.5495 7.7031 119.4741 52.3206 43.4639 174.7380 40 P 4.6733 0.0000 0.0000 62.1712 33.2319 177.6450 41 K 4.0139 8.4698 117.8871 59.8894 32.3281 178.7803 42 N 4.6786 8.3104 116.8191 55.0159 37.3622 176.1495 43 V 4.3864 7.6862 118.5755 63.5762 33.5306 175.5965 44 M 4.2461 7.5162 118.4617 53.3927 32.4006 174.7652 45 G 3.8501 6.0204 104.7059 45.9486 0.0000 173.5865 46 H 5.4296 9.4138 119.5025 53.7428 32.7026 172.3582 47 N 5.6578 9.0736 118.4908 50.8539 41.7465 172.6220 48 W 5.1774 9.1439 128.8514 55.6316 33.3895 174.2674 49 V 4.5512 8.1119 126.9192 59.4718 34.3209 174.1649 50 L 4.6662 8.0281 125.5068 53.1701 44.6949 175.3399 51 S 5.1853 8.8499 119.7674 57.1785 67.2659 173.5006 52 T 4.3671 8.6653 109.1496 61.2587 69.2916 175.2065 53 A 3.9476 8.5760 124.3639 55.3997 18.1317 180.0260 54 A 3.8977 7.8554 117.8791 55.1497 18.7372 178.8205 55 D 4.4882 7.8858 116.0046 55.9333 41.0105 178.2591 56 M 3.5446 7.4960 119.7831 58.7307 32.0303 177.8259 57 Q 3.8878 7.8964 118.8568 59.1918 29.2018 178.4194 58 G 3.5886 7.9382 106.2241 47.5811 0.0000 175.5952 59 V 3.6319 8.0896 120.9497 65.8162 31.5698 178.2925 60 V 3.6443 8.0389 118.1647 66.4333 31.4287 178.0996 61 T 3.8471 8.2347 115.8559 66.7294 68.3370 175.8232 62 C 4.3625 8.5532 120.7271 59.6496 44.8190 175.7195 63 G 4.2476 8.2161 108.6663 47.6555 0.0000 175.2174 64 M 4.1045 7.8773 119.3293 58.4950 32.3500 177.9327 65 A 4.1352 7.8194 119.7388 55.1538 18.6920 179.3759 66 S 4.2739 8.0988 113.7468 59.1698 63.2428 175.4741 67 G 4.0405 8.3749 108.7428 44.1392 0.0000 173.6065 68 L 2.8228 7.6959 118.7696 57.7646 42.0308 178.8867 69 D 4.2758 7.7658 116.7235 56.4105 40.9434 176.9236 70 K 4.3409 7.8218 117.3442 55.6281 32.1774 176.1454 71 D 4.2287 8.1736 117.3060 55.9321 38.8458 173.1371 72 Y 4.0160 7.5586 112.7008 59.0959 36.2359 170.6095 73 L 5.1432 7.4857 116.4492 52.8927 45.8274 176.2261 74 C 4.7456 8.5501 119.3124 55.3089 40.8505 171.7405 75 P 4.4004 0.0000 0.0000 64.2225 31.4111 175.7651 76 D 4.4169 8.8655 119.5433 55.0506 38.4621 173.3348 77 D 4.4044 7.8057 120.2830 54.2356 40.8483 177.2185 78 S 4.3521 8.6348 121.9676 60.3554 63.2855 175.1864 79 R 4.1123 8.3675 119.4930 56.9800 30.2596 176.4301 80 V 4.1690 7.4037 118.4747 61.5199 31.3000 175.4500 81 I 3.9800 8.4286 129.7171 64.3044 37.5730 176.5859 82 A 4.7597 7.5527 120.6054 51.5385 22.3555 174.9447 83 H 5.4901 8.4256 113.3931 54.9152 31.1420 173.7449 84 T 4.6098 8.9136 112.6539 60.6889 70.3434 174.0422 85 K 4.4412 9.0904 122.1394 56.2533 33.8838 176.4721 86 L 4.6468 8.7093 124.1693 55.0540 42.4056 176.0354 87 I 4.8591 9.6158 120.3811 59.2353 41.5020 174.5823 88 G 4.4401 9.1253 110.7082 43.7175 0.0000 172.3237 89 S 4.3344 7.9799 114.3694 59.8730 62.9169 175.3692 90 G 3.9017 8.7830 110.8561 45.8502 0.0000 173.2906 91 E 4.6345 7.8555 119.7467 54.7989 31.3327 174.8443 92 K 5.1012 8.0676 118.5555 55.8106 36.2411 174.8647 93 D 4.7604 9.2223 119.7657 53.2926 45.0442 173.9437 94 S 5.3998 8.6905 120.7968 56.6539 65.6776 173.7464 95 V 4.5648 8.4366 122.5222 60.1928 34.3831 174.5172 96 T 5.1083 8.6102 119.6370 61.7451 71.5694 173.1096 97 F 5.1139 8.5691 119.7324 54.9759 42.4233 173.6384 98 D 4.8528 8.7611 119.9562 54.1213 41.4784 178.0609 99 V 3.8622 8.8031 124.5885 65.1639 31.8159 177.9776 100 S 4.2605 8.1741 113.4466 61.0319 62.6208 175.3115 101 K 4.2443 7.9863 118.7292 57.3533 32.0581 176.5999 102 L 4.7651 7.6799 119.3196 52.6608 43.7606 176.0061 103 K 4.5061 9.6376 122.7203 54.7849 33.3641 176.2360 104 E 3.9741 8.6527 124.1002 57.5974 29.9968 177.4396 105 G 3.9817 8.6896 113.5904 45.5482 0.0000 173.3681 106 E 3.9629 7.6996 121.7478 56.1065 30.4344 176.0891 107 Q 4.8278 8.1167 129.0581 54.2039 26.9563 173.9021 108 Y 4.3491 7.4014 121.1707 58.0851 40.3924 175.8612 109 M 5.4324 9.4626 120.0227 53.6281 35.8053 175.0359 110 F 5.0579 8.3828 118.0065 55.4379 41.0575 174.3377 111 F 5.4825 7.8543 113.9646 56.8772 41.5866 171.7323 112 C 5.5000 9.3219 120.3436 57.4252 32.5316 173.4416 113 T 4.5619 9.0926 115.1944 61.1351 69.1939 174.6631 114 F 3.4457 8.1055 125.4187 57.5449 39.8276 172.2965 115 P 3.9218 0.0000 0.0000 64.4630 31.1749 176.6992 116 G 3.9836 8.8557 111.0818 45.8946 0.0000 173.3446 117 H 4.7062 8.5676 117.5156 57.2815 29.4743 177.7333 118 S 4.2362 8.1488 113.6633 61.1720 62.7556 175.8565 119 A 4.1136 7.8783 123.4164 54.5998 18.4018 178.7878 120 L 4.3244 7.8522 115.9339 55.8536 43.6044 177.0075 121 M 4.8269 8.1030 119.9911 52.6683 31.3059 174.9468 122 K 5.0187 7.8087 119.5629 55.9839 36.6388 175.4572 123 G 3.6010 7.6502 107.1151 46.1123 0.0000 172.2139 124 T 5.1624 8.1679 109.9224 60.1510 71.4090 173.6985 125 L 5.4338 8.8011 124.4648 53.9158 45.0888 175.8159 126 T 5.0781 8.9306 121.6387 60.6869 73.2561 172.5526 127 L 4.8099 8.6767 127.8752 54.0567 43.8884 176.4000 128 K 4.3094 8.9431 125.3705 56.6481 33.2760 176.2975 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 E 8.44 4.41 0.00 2.01 1.65 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 2.13 1.91 0.00 3 C 8.61 5.26 0.00 2.83 3.22 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 4 S 7.42 4.00 0.00 3.48 3.38 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 5 V 7.93 4.44 2.18 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 0.72 0.00 0.00 0.88 0.00 0.00 6 D 8.56 5.20 0.00 2.50 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 7 I 8.65 4.80 1.64 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.77 0.83 0.00 0.00 8 Q 9.53 5.25 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 9 G 9.03 4.37 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 0.00 10 N 8.34 5.48 0.00 2.73 2.86 0.00 0.00 7.09 7.44 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 11 D 8.82 4.56 0.00 2.70 2.76 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 12 Q 8.43 4.45 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 13 M 8.02 2.97 0.00 1.92 1.99 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 2.27 2.36 0.00 14 Q 7.23 4.43 0.00 2.22 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.75 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 15 F 8.65 5.39 0.00 3.26 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 16 N 8.59 4.91 0.00 2.87 2.97 0.00 0.00 6.61 8.81 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 17 T 7.72 4.82 4.30 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 1.23 0.00 0.00 18 N 8.70 5.23 0.00 2.74 2.85 0.00 0.00 6.52 7.55 0.00 0.00 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 A 8.29 5.04 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 20 I 9.67 4.55 2.02 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.73 0.87 0.00 0.00 21 T 8.53 4.93 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 1.21 0.00 0.00 22 V 8.41 3.92 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 0.81 0.00 0.00 0.09 0.00 0.00 23 D 8.63 4.68 0.00 2.82 2.54 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 24 K 8.41 3.80 0.00 1.96 1.86 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.47 7.81 25 S 8.93 4.31 0.00 3.98 4.03 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 26 C 8.06 4.50 0.00 3.10 3.33 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 27 K 8.77 4.17 0.00 1.65 1.83 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.40 7.81 28 Q 7.92 5.06 0.00 1.77 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.70 0.00 0.00 0.00 0.00 0.00 2.18 2.46 0.00 29 F 8.75 4.75 0.00 2.62 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 0.00 0.00 0.00 30 T 7.28 4.72 4.09 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 0.00 0.00 0.00 0.93 0.00 0.00 31 V 8.19 4.25 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 -0.23 0.00 0.00 32 N 8.79 4.88 0.00 2.69 2.64 0.00 0.00 6.13 6.56 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 33 L 8.78 5.14 0.00 1.71 1.70 1.23 0.79 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 34 S 8.89 5.15 0.00 3.92 3.91 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 35 H 8.82 6.00 0.00 3.23 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.72 0.00 2.14 2.10 0.00 4.08 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.21 0.00 37 G 8.78 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 0.00 0.00 0.00 38 N 9.62 4.91 0.00 2.72 2.81 0.00 0.00 6.89 6.08 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 39 L 7.70 4.55 0.00 1.72 1.53 0.91 1.27 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 40 P 0.00 4.67 0.00 2.26 2.18 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.02 0.00 41 K 8.47 4.01 0.00 2.07 2.15 0.00 1.57 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.56 7.81 42 N 8.31 4.68 0.00 3.03 3.10 0.00 0.00 5.83 7.68 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 43 V 7.69 4.39 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 0.90 0.00 0.00 0.99 0.00 0.00 44 M 7.52 4.25 0.00 1.87 1.83 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 45 G 6.02 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 46 H 9.41 5.43 0.00 3.11 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.07 5.66 0.00 2.96 3.16 0.00 0.00 5.65 8.88 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 48 W 9.14 5.18 0.00 3.41 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 49 V 8.11 4.55 1.55 0.00 0.00 0.00 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 0.50 0.00 0.00 50 L 8.03 4.67 0.00 0.74 1.21 0.86 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.85 5.19 0.00 4.11 4.08 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 52 T 8.67 4.37 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 53 A 8.58 3.95 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 54 A 7.86 3.90 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 55 D 7.89 4.49 0.00 2.85 2.76 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 56 M 7.50 3.54 0.00 1.86 1.70 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.91 0.00 57 Q 7.90 3.89 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 58 G 7.94 3.59 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 0.00 0.00 0.00 59 V 8.09 3.63 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 1.18 0.00 0.00 1.09 0.00 0.00 60 V 8.04 3.64 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.84 0.00 0.00 61 T 8.23 3.85 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 1.20 0.00 0.00 62 C 8.55 4.36 0.00 3.19 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 63 G 8.22 4.25 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 0.00 64 M 7.88 4.10 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 65 A 7.82 4.14 1.35 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 0.00 0.00 66 S 8.10 4.27 0.00 4.06 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 67 G 8.37 4.04 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 0.00 0.00 0.00 68 L 7.70 2.82 0.00 1.48 1.48 1.01 1.21 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 69 D 7.77 4.28 0.00 2.63 2.66 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 0.00 0.00 0.00 0.00 70 K 7.82 4.34 0.00 1.71 1.85 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.35 7.81 71 D 8.17 4.23 0.00 2.85 2.85 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 0.00 0.00 0.00 72 Y 7.56 4.02 0.00 3.19 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 73 L 7.49 5.14 0.00 1.54 1.48 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 74 C 8.55 4.75 0.00 3.00 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 75 P 0.00 4.40 0.00 2.04 2.00 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 76 D 8.87 4.42 0.00 2.85 2.80 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 77 D 7.81 4.40 0.00 2.84 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 78 S 8.63 4.35 0.00 4.03 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 79 R 8.37 4.11 0.00 1.95 2.15 0.00 3.28 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.63 0.00 80 V 7.40 4.17 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 0.75 0.00 0.00 0.94 0.00 0.00 81 I 8.43 3.98 1.69 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.60 0.62 0.00 0.00 82 A 7.55 4.76 1.11 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 0.00 0.00 83 H 8.43 5.49 0.00 3.14 3.22 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.91 4.61 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 1.34 0.00 0.00 85 K 9.09 4.44 0.00 2.00 1.93 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.45 7.81 86 L 8.71 4.65 0.00 1.85 1.88 1.25 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 I 9.62 4.86 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.25 1.03 0.00 0.00 88 G 9.13 4.44 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 0.00 89 S 7.98 4.33 0.00 4.09 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 90 G 8.78 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 91 E 7.86 4.63 0.00 2.23 1.88 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 2.26 2.22 0.00 92 K 8.07 5.10 0.00 1.84 1.72 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.41 7.81 93 D 9.22 4.76 0.00 2.79 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.69 5.40 0.00 3.70 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 95 V 8.44 4.56 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 0.80 0.00 0.00 1.10 0.00 0.00 96 T 8.61 5.11 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 97 F 8.57 5.11 0.00 3.13 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.76 4.85 0.00 2.85 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 99 V 8.80 3.86 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 1.02 0.00 0.00 0.89 0.00 0.00 100 S 8.17 4.26 0.00 4.05 4.03 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 0.00 101 K 7.99 4.24 0.00 1.86 1.91 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.76 7.81 102 L 7.68 4.77 0.00 1.68 1.59 1.04 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 103 K 9.64 4.51 0.00 1.92 1.77 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.48 7.81 104 E 8.65 3.97 0.00 1.96 1.88 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 2.32 2.35 0.00 105 G 8.69 3.98 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 0.00 0.00 0.00 106 E 7.70 3.96 0.00 1.81 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 1.56 1.93 0.00 107 Q 8.12 4.83 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 108 Y 7.40 4.35 0.00 3.15 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 0.00 109 M 9.46 5.43 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 110 F 8.38 5.06 0.00 1.71 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.85 5.48 0.00 3.10 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 0.00 112 C 9.32 5.50 0.00 3.06 2.92 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 0.00 113 T 9.09 4.56 4.42 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 1.50 0.00 0.00 114 F 8.11 3.45 0.00 3.16 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 3.92 0.00 1.53 1.64 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.15 0.00 116 G 8.86 3.98 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 0.00 0.00 0.00 117 H 8.57 4.71 0.00 3.38 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.15 4.24 0.00 3.94 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.88 4.11 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 0.00 120 L 7.85 4.32 0.00 1.59 1.80 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 121 M 8.10 4.83 0.00 1.24 2.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.06 0.00 122 K 7.81 5.02 0.00 1.60 1.85 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.42 7.81 123 G 7.65 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.17 5.16 4.30 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 1.20 0.00 0.00 125 L 8.80 5.43 0.00 1.99 1.75 1.23 0.78 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 0.00 126 T 8.93 5.08 4.29 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 1.28 0.00 0.00 127 L 8.68 4.81 0.00 1.83 1.64 0.96 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.94 4.31 0.00 1.70 1.61 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.