NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.1978 8.2993 121.7662 55.5526 33.9132 175.1465 4 F 5.0039 6.7868 109.5914 54.4108 40.5459 167.7159 5 V 4.6706 10.1111 119.7204 60.1323 35.2275 175.4534 6 I 5.0799 8.5340 124.1480 59.8517 38.8444 175.0290 7 R 4.8952 8.9213 122.5150 53.9112 33.2453 172.6616 8 P 4.9573 0.0000 0.0000 62.8113 32.0355 176.0584 9 A 4.7052 9.0289 124.5017 52.2547 19.4354 176.7301 10 T 4.7385 9.3119 109.1653 58.9349 72.0522 175.0830 11 A 2.5853 7.7919 122.8676 54.8407 17.8499 179.6173 12 A 3.9648 7.1533 117.1064 54.4478 18.6562 178.5433 13 D 4.5144 8.1273 116.8546 55.1743 41.1343 178.0878 14 C 4.0719 7.7957 118.8945 62.9355 28.1407 176.0378 15 S 4.0543 7.9540 115.1666 61.6142 62.4608 176.2222 16 D 4.2499 7.8960 121.9478 56.9679 40.5446 178.6057 17 I 3.3481 7.7565 120.5338 64.1931 37.0100 178.2808 18 L 3.7779 7.9863 121.3376 57.8418 41.8407 178.9978 19 R 3.8041 7.7836 118.8400 59.4772 30.0499 178.6147 20 L 4.2011 8.0505 118.7756 57.4990 41.4889 179.6810 21 I 3.7087 7.7247 120.3800 64.3987 36.8919 178.6523 22 K 3.5577 8.0288 118.1017 59.0980 31.9192 178.8311 23 E 4.0108 8.0144 120.0513 59.0122 29.5832 178.5706 24 L 3.1340 7.7585 120.6019 57.7896 41.9219 178.7009 25 A 4.0190 8.4029 120.3531 54.8176 18.2521 179.1077 26 K 4.1810 7.4075 116.0974 58.7179 32.5502 178.0389 27 Y 4.3061 7.7093 118.1839 58.3409 39.0648 175.3781 28 E 4.0558 7.3712 118.2085 56.5882 30.6602 175.7092 29 Y 4.7157 8.0736 117.7645 60.3661 39.2129 177.5308 30 M 4.3237 7.9786 121.9700 54.9470 29.4632 174.0105 31 E 4.0641 8.1968 114.7031 56.1400 29.6940 176.9064 32 E 4.7689 8.3070 123.1103 53.9406 33.5519 175.5556 33 Q 4.5225 8.3668 121.5553 53.7590 30.7945 175.6978 34 V 3.6013 8.2471 120.5378 63.6511 31.6540 175.8148 35 I 4.2089 8.1635 127.5973 62.0703 38.3157 176.5240 36 L 4.2558 7.8061 119.7540 54.9771 42.2608 176.5594 37 T 4.6369 8.8025 112.3120 59.4658 72.8726 175.0147 38 E 3.9329 8.5017 120.5929 59.2152 29.4841 178.4365 39 K 4.0102 8.0194 119.3548 59.2969 32.2804 178.4492 40 D 4.3564 7.8375 119.0970 57.4466 40.8361 178.5507 41 L 4.2537 7.8148 119.0329 57.9154 41.5557 179.7897 42 L 4.2222 8.1521 118.7530 57.9297 41.4887 179.1889 43 E 4.0171 8.5153 119.4295 59.4158 29.6614 178.2968 44 D 4.9459 9.1256 118.7007 55.8957 40.8768 178.0671 45 G 3.2640 8.1850 104.3344 44.0438 0.0000 173.6795 46 F 4.7686 8.5370 119.3328 57.1167 40.7852 175.5909 47 G 4.2347 7.8761 114.1363 44.6722 0.0000 174.5507 48 E 3.9829 8.8607 115.3758 58.5511 30.0105 172.7233 49 H 4.7213 7.7187 118.0956 52.9689 31.6724 171.7192 50 P 4.1588 0.0000 0.0000 62.2534 31.7147 176.0837 51 F 4.3785 8.7435 121.9399 58.1012 39.4211 174.7499 52 Y 5.0914 6.6170 117.0134 56.3635 40.6440 173.5589 53 H 4.6129 9.2808 116.9766 54.1002 33.0947 172.4585 54 C 5.6466 8.5619 117.6820 58.1533 32.4601 172.7994 55 L 5.3113 9.1715 122.0764 53.1589 44.3926 175.7003 56 V 4.9783 9.1732 121.5145 61.1094 35.5629 173.9325 57 A 5.1200 8.7260 128.0848 50.3473 21.0572 175.1423 58 E 5.1045 9.5835 124.3072 54.7329 32.3123 175.4305 59 V 4.8696 8.4235 119.5187 58.6723 34.8740 174.0677 60 P 4.5125 0.0000 0.0000 62.9882 31.8317 178.5598 61 K 2.0000 8.5438 122.1239 57.1522 31.4690 179.1867 62 E 4.0484 7.9813 115.9440 58.9000 29.5358 177.1190 63 H 5.0780 8.4454 115.6029 55.1361 29.4330 174.4621 64 W 4.7730 8.1715 118.9113 56.6137 29.6988 176.3094 65 T 4.5049 8.5634 110.4072 60.4252 68.7951 173.9129 66 P 4.3661 0.0000 0.0000 64.7428 31.4644 176.8010 67 E 4.4770 8.3773 116.2390 55.8921 30.2874 176.6730 68 G 4.0933 9.1243 107.8819 45.7380 0.0000 173.3548 69 H 4.3695 7.7649 116.4448 54.5881 30.0960 175.7206 70 S 4.1249 7.7421 115.4399 58.5862 65.2627 173.3731 71 I 4.4692 7.4733 121.6518 60.1250 37.6983 175.8589 72 V 4.2703 8.1206 120.3180 60.1304 33.3862 175.3959 73 G 4.3780 7.8663 107.1810 46.5855 0.0000 172.4400 74 F 5.5516 8.1893 113.8312 55.9645 41.8047 172.8216 75 A 5.0017 9.2821 120.9363 50.4498 22.5436 174.5755 76 M 5.3997 9.5769 122.5237 54.0102 35.1019 174.2625 77 Y 5.3272 8.9354 123.3932 56.3469 42.6012 172.7265 78 Y 4.8152 8.2340 116.9252 56.5755 41.9737 172.8938 79 F 5.6158 8.9606 118.2390 56.4146 41.1504 175.5452 80 T 5.0926 9.2756 112.8902 60.2536 72.4404 171.5987 81 Y 5.1134 8.5583 120.6197 56.2449 42.2998 173.8992 82 D 5.0066 8.3622 125.5033 51.7827 43.4502 174.9826 83 P 4.5547 0.0000 0.0000 65.0695 31.7671 177.4896 84 W 4.3754 9.1330 117.6796 58.2252 29.4580 177.0179 85 I 4.3356 8.3194 114.3157 60.1359 39.9981 175.8010 86 G 3.2233 8.0925 106.2532 43.7625 0.0000 172.9043 87 K 4.6428 8.3934 123.5590 56.7829 33.4267 176.3960 88 L 5.2248 9.1706 126.0319 52.9226 46.4032 174.8338 89 L 5.0073 8.6100 122.9646 53.8056 44.3958 174.4513 90 Y 4.8104 8.8866 127.3201 55.6253 41.4754 173.8837 91 L 4.3694 8.1051 130.1061 54.2367 42.0745 175.8100 92 E 4.4081 9.1905 129.2266 58.9011 30.3576 175.8306 93 D 4.5899 7.9344 116.0955 54.0111 44.7608 174.3556 94 F 4.8792 8.0542 115.7092 55.6227 40.8085 173.3078 95 F 4.6726 8.6417 124.2024 56.4593 43.0587 172.9422 96 V 4.4597 7.2474 125.1453 60.6853 33.6974 174.8226 97 M 3.6655 8.5554 127.4532 56.1896 32.5905 177.1584 98 S 3.8558 9.0926 118.4842 61.6582 62.4742 175.7819 99 D 4.3998 8.0848 116.1306 56.0182 40.6917 175.5505 100 Y 4.5728 8.3958 114.6331 58.1183 39.6138 176.8948 101 R 4.1304 7.7225 118.0844 56.8955 29.6779 177.5697 102 G 3.8115 8.2881 109.3197 48.7635 0.0000 177.2334 *103 F 4.6763 7.6430 115.8611 55.8924 37.5012 177.9314 104 G 4.3818 8.8408 107.2084 45.8832 0.0000 174.1349 105 I 3.1125 8.1234 122.1312 64.0428 36.8569 177.7901 106 G 3.3470 7.8887 105.5938 48.0027 0.0000 175.3828 107 S 4.2004 7.8462 114.9522 60.9157 62.3683 175.5712 108 E 4.1395 8.5280 122.5150 58.7033 29.2893 178.8172 109 I 3.5570 7.6684 120.5091 64.3206 37.0746 178.1643 110 L 3.8170 7.3613 119.6173 57.6135 41.3710 179.6626 111 K 3.8844 7.6008 118.2111 59.6211 32.1928 178.6987 112 N 4.7044 7.8000 117.8722 55.7572 38.4045 177.4462 113 L 3.7343 8.0273 120.5387 57.8620 41.6998 179.6990 114 S 4.0995 8.2038 115.1999 61.7424 62.5841 176.8710 115 Q 4.0224 8.0430 120.8164 58.6282 28.4128 178.8304 116 V 3.5771 7.6797 119.2431 65.8676 31.5878 177.7850 117 A 4.0750 8.0122 120.4908 55.6864 17.9963 179.5580 118 M 4.0549 7.8882 116.0237 58.2466 32.1506 178.6167 119 R 4.2828 7.9744 114.0564 57.5869 30.1161 177.3563 120 C 4.5298 7.9825 118.7768 59.0002 29.0645 174.1280 121 R 3.8508 7.9031 116.7613 57.4715 26.2116 179.7923 122 C 4.9763 7.9836 116.6854 58.7207 29.8796 175.2010 123 S 4.3108 8.4319 118.5824 60.4017 63.3630 173.5510 124 S 4.6194 7.2982 114.2847 58.0848 65.9038 173.6400 125 M 5.3176 8.7305 119.4906 54.1991 34.2636 174.1544 126 H 4.9649 8.8191 123.1675 54.3539 32.1533 173.2355 127 F 4.2180 7.2720 113.6505 56.6011 39.9773 172.7936 128 L 4.6715 8.5500 118.9781 52.9844 43.7140 176.5181 129 V 4.3059 7.8267 119.9433 60.7060 34.6804 174.9363 130 A 3.8645 8.0371 130.0323 51.4249 18.6659 178.2056 131 E 3.8594 8.5786 121.0739 58.5974 29.5924 177.9586 132 W 4.5814 7.1979 114.0997 57.1408 29.4473 176.9715 133 N 4.8297 7.3332 120.9703 52.3548 34.9555 174.5991 134 E 4.0010 8.1383 124.0259 58.8373 30.2474 177.1560 135 P 4.3097 0.0000 0.0000 65.6481 31.5375 178.5820 136 S 4.1187 8.5072 112.0109 61.0917 62.2483 176.1236 137 I 3.8554 8.0750 122.8168 64.7712 36.8990 178.2273 138 N 4.4115 8.4287 117.1626 56.1449 36.7718 177.2102 139 F 3.9407 8.1898 121.8197 61.5624 39.3839 176.7150 140 Y 4.6785 8.2442 115.9397 60.5790 37.9124 178.0797 141 K 4.0919 8.3794 119.8689 59.3904 31.9613 179.1096 142 R 4.1418 8.0862 116.5101 57.7198 30.1441 177.9135 143 R 4.3700 7.0689 115.1048 55.6989 30.6487 176.8808 144 G 3.9821 7.7889 107.1793 44.8515 0.0000 174.0609 145 A 4.2473 7.9843 122.3542 52.0509 19.0066 177.4634 146 S 4.6589 8.2205 115.8268 56.5465 65.9404 174.9203 147 D 4.5287 8.2949 123.5370 53.1015 40.7946 176.9187 148 L 4.1002 8.1214 127.7394 57.4314 41.7309 179.3677 149 S 4.3475 8.1087 115.0698 61.7451 62.6633 176.6436 150 S 4.1203 8.4100 117.0550 61.3693 62.6112 176.3210 151 E 4.1282 8.1530 120.5607 58.5727 29.5114 177.5874 152 E 4.1791 8.2786 114.7565 55.3570 30.6465 176.9188 153 G 3.7405 8.1389 107.1251 45.1704 0.0000 174.0427 154 W 4.5355 7.5982 119.1074 56.6306 29.6007 175.7333 155 R 4.8019 8.6763 120.8749 54.1901 32.8157 174.7876 156 L 4.4893 8.6732 123.9289 54.3933 42.8417 175.8444 157 F 4.8922 8.8186 123.9309 55.7232 42.0278 174.5158 158 K 4.6450 8.2343 121.8534 55.0389 35.0506 175.5280 159 I 4.4598 8.2000 125.2657 58.9853 39.4960 175.8916 160 D 4.7298 8.5953 125.8531 52.2224 41.7387 176.9979 161 K 3.8005 8.6263 118.7011 59.8610 31.8372 178.5659 162 E 3.7627 8.3074 118.5883 59.8184 29.4480 178.3258 163 Y 4.1343 8.2278 115.6144 60.1139 37.9515 178.0041 164 L 4.0660 7.9565 120.6488 57.4532 41.6390 178.9010 165 L 3.9099 8.2614 120.7473 58.2492 41.9130 178.7902 166 K 4.2702 7.6450 119.1612 59.5211 31.8472 179.1321 167 M 4.0544 8.0973 117.5729 58.3164 31.9397 178.5915 168 A 4.1574 8.2482 120.9637 54.6456 18.7522 178.8612 169 T 4.3829 7.9943 105.1744 61.7453 69.8855 174.6499 170 E 4.2665 8.5039 127.6174 56.6265 30.1030 175.5295 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 8.30 4.20 0.00 1.58 1.48 0.00 1.97 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.51 1.47 7.81 4 F 6.79 5.00 0.00 3.15 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 5 V 10.11 4.67 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 0.93 0.00 0.00 0.98 0.00 0.00 6 I 8.53 5.08 1.94 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 1.60 0.97 0.94 0.00 0.00 7 R 8.92 4.90 0.00 1.89 2.02 0.00 2.82 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 8 P 0.00 4.96 0.00 2.21 2.21 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 9 A 9.03 4.71 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 10 T 9.31 4.74 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 1.25 0.00 0.00 11 A 7.79 2.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.15 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 13 D 8.13 4.51 0.00 2.79 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 14 C 7.80 4.07 0.00 3.00 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 15 S 7.95 4.05 0.00 3.99 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 0.00 16 D 7.90 4.25 0.00 2.82 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 17 I 7.76 3.35 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.02 0.41 0.00 0.00 18 L 7.99 3.78 0.00 1.65 1.72 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.78 3.80 0.00 1.91 2.02 0.00 3.00 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 20 L 8.05 4.20 0.00 1.80 2.19 1.12 0.99 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 21 I 7.72 3.71 1.85 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 0.85 0.00 0.00 22 K 8.03 3.56 0.00 1.86 1.84 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.49 7.81 23 E 8.01 4.01 0.00 2.28 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 2.67 2.34 0.00 24 L 7.76 3.13 0.00 1.34 1.64 0.74 1.12 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 25 A 8.40 4.02 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 26 K 7.41 4.18 0.00 1.88 1.91 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.66 7.81 27 Y 7.71 4.31 0.00 2.80 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 28 E 7.37 4.06 0.00 2.13 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 2.50 2.25 0.00 29 Y 8.07 4.72 0.00 2.84 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 30 M 7.98 4.32 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.67 0.00 31 E 8.20 4.06 0.00 1.98 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 2.24 1.92 0.00 32 E 8.31 4.77 0.00 1.87 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 2.22 2.49 0.00 33 Q 8.37 4.52 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 34 V 8.25 3.60 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 0.81 0.00 0.00 0.89 0.00 0.00 35 I 8.16 4.21 1.85 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 0.88 0.90 0.00 0.00 36 L 7.81 4.26 0.00 1.58 1.56 0.83 0.79 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 37 T 8.80 4.64 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 1.25 0.00 0.00 38 E 8.50 3.93 0.00 2.03 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 0.00 2.36 2.34 0.00 39 K 8.02 4.01 0.00 1.86 1.80 0.00 1.78 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.54 7.81 40 D 7.84 4.36 0.00 2.90 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 41 L 7.81 4.25 0.00 1.95 1.90 0.86 0.13 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 42 L 8.15 4.22 0.00 1.93 1.78 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.52 4.02 0.00 2.19 2.16 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 2.39 2.41 0.00 44 D 9.13 4.95 0.00 3.07 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 45 G 8.18 3.26 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 0.00 46 F 8.54 4.77 0.00 3.04 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 47 G 7.88 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 0.00 0.00 0.00 0.00 48 E 8.86 3.98 0.00 2.00 1.87 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 2.23 1.88 0.00 49 H 7.72 4.72 0.00 2.83 2.88 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.16 0.00 1.69 1.66 0.00 3.58 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 51 F 8.74 4.38 0.00 3.04 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 52 Y 6.62 5.09 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 53 H 9.28 4.61 0.00 1.40 2.60 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.56 5.65 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 55 L 9.17 5.31 0.00 1.69 1.63 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 56 V 9.17 4.98 2.16 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 0.99 0.00 0.00 1.04 0.00 0.00 57 A 8.73 5.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 9.58 5.10 0.00 2.02 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 2.26 2.35 0.00 59 V 8.42 4.87 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 0.71 0.00 0.00 1.11 0.00 0.00 60 P 0.00 4.51 0.00 2.35 2.03 0.00 3.66 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 61 K 8.54 2.00 0.00 1.77 1.75 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.05 7.81 62 E 7.98 4.05 0.00 1.80 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 2.28 0.00 63 H 8.45 5.08 0.00 3.24 3.62 0.00 5.85 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 W 8.17 4.77 0.00 3.29 3.14 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 65 T 8.56 4.50 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 1.29 0.00 0.00 66 P 0.00 4.37 0.00 2.13 2.23 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 67 E 8.38 4.48 0.00 1.99 1.91 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 2.29 2.43 0.00 68 G 9.12 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 0.00 0.00 0.00 0.00 69 H 7.76 4.37 0.00 3.17 3.04 0.00 5.79 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 7.74 4.12 0.00 3.78 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.47 4.47 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.42 0.92 0.00 0.00 72 V 8.12 4.27 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 -0.22 0.00 0.00 0.61 0.00 0.00 73 G 7.87 4.38 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 0.00 74 F 8.19 5.55 0.00 3.35 3.18 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 0.00 75 A 9.28 5.00 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 76 M 9.58 5.40 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 77 Y 8.94 5.33 0.00 3.00 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 78 Y 8.23 4.82 0.00 3.12 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 79 F 8.96 5.62 0.00 3.17 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.28 5.09 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 1.46 0.00 0.00 81 Y 8.56 5.11 0.00 2.96 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 82 D 8.36 5.01 0.00 2.73 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 83 P 0.00 4.55 0.00 1.79 1.95 0.00 4.10 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 84 W 9.13 4.38 0.00 3.57 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 85 I 8.32 4.34 1.92 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 1.35 0.73 0.94 0.00 0.00 86 G 8.09 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 0.00 0.00 0.00 87 K 8.39 4.64 0.00 1.99 1.73 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.68 1.65 7.81 88 L 9.17 5.22 0.00 1.65 1.50 0.69 0.48 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 89 L 8.61 5.01 0.00 1.83 1.53 0.77 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.89 4.81 0.00 3.11 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 91 L 8.11 4.37 0.00 1.49 1.35 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 92 E 9.19 4.41 0.00 2.13 2.28 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 2.60 2.48 0.00 93 D 7.93 4.59 0.00 2.79 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.92 0.00 119 R 7.97 4.28 0.00 1.99 2.06 0.00 3.08 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.69 0.00 120 C 7.98 4.53 0.00 3.15 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 0.00 121 R 7.90 3.85 0.00 1.98 1.85 0.00 3.25 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 1.45 1.20 0.00 122 C 7.98 4.98 0.00 3.04 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 0.00 123 S 8.43 4.31 0.00 4.02 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 0.00 124 S 7.30 4.62 0.00 3.91 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 0.00 125 M 8.73 5.32 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 126 H 8.82 4.96 0.00 3.19 3.12 0.00 5.90 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 7.27 4.22 0.00 2.67 2.61 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 0.00 128 L 8.55 4.67 0.00 1.67 1.61 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.83 4.31 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 0.80 0.00 0.00 1.04 0.00 0.00 130 A 8.04 3.86 -0.05 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 0.00 0.00 131 E 8.58 3.86 0.00 2.10 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 0.00 2.31 2.44 0.00 132 W 7.20 4.58 0.00 3.57 3.30 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 0.00 133 N 7.33 4.83 0.00 1.85 2.51 0.00 0.00 7.09 7.64 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 0.00 134 E 8.14 4.00 0.00 2.13 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 2.46 2.50 0.00 135 P 0.00 4.31 0.00 2.21 2.15 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 136 S 8.51 4.12 0.00 3.95 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 0.00 137 I 8.08 3.86 2.07 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 1.55 0.67 0.97 0.00 0.00 138 N 8.43 4.41 0.00 2.80 2.91 0.00 0.00 6.74 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.19 3.94 0.00 3.12 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 0.00 140 Y 8.24 4.68 0.00 3.56 3.24 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 0.00 141 K 8.38 4.09 0.00 1.97 1.89 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.78 1.68 7.81 142 R 8.09 4.14 0.00 1.73 1.86 0.00 3.09 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 143 R 7.07 4.37 0.00 2.00 1.97 0.00 3.15 0.00 0.00 3.00 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.00 144 G 7.79 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 0.00 145 A 7.98 4.25 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.22 4.66 0.00 3.77 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 0.00 147 D 8.29 4.53 0.00 2.68 2.55 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 0.00 0.00 0.00 0.00 148 L 8.12 4.10 0.00 1.75 1.92 0.77 0.97 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 0.00 149 S 8.11 4.35 0.00 4.03 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 0.00 150 S 8.41 4.12 0.00 3.95 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 0.00 151 E 8.15 4.13 0.00 2.02 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 2.32 2.32 0.00 152 E 8.28 4.18 0.00 1.78 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 2.13 2.15 0.00 153 G 8.14 3.74 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 0.00 0.00 0.00 154 W 7.60 4.54 0.00 3.30 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 0.00 155 R 8.68 4.80 0.00 2.15 2.11 0.00 3.46 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.70 0.00 156 L 8.67 4.49 0.00 1.68 1.65 1.00 0.75 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 0.00 157 F 8.82 4.89 0.00 2.95 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 0.00 158 K 8.23 4.64 0.00 1.68 1.61 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.48 7.81 159 I 8.20 4.46 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.86 1.02 0.00 0.00 160 D 8.60 4.73 0.00 3.01 2.89 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 0.00 161 K 8.63 3.80 0.00 1.81 1.92 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.53 7.81 162 E 8.31 3.76 0.00 1.91 1.89 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 1.79 2.19 0.00 163 Y 8.23 4.13 0.00 3.21 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 0.00 164 L 7.96 4.07 0.00 1.89 1.73 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.26 3.91 0.00 1.78 1.83 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 166 K 7.65 4.27 0.00 1.97 1.89 0.00 1.40 0.00 0.00 1.77 0.00 0.00 2.75 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.55 1.24 7.81 167 M 8.10 4.05 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.61 0.00 168 A 8.25 4.16 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 0.00 169 T 7.99 4.38 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 0.00 170 E 8.50 4.27 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 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.