NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 Q 4.2720 8.3331 118.8258 56.3269 29.0737 172.9189 0 G 3.7142 7.8108 121.4262 42.4840 0.0000 170.6708 2 I 4.4483 8.2982 111.0409 59.4120 42.7968 170.9904 3 Q 5.2175 8.8092 123.1647 54.0573 31.4359 174.7416 4 E 4.4545 9.4189 125.6799 56.1942 31.4180 175.4829 5 I 4.8342 8.8540 127.0309 59.6150 40.5250 174.2976 6 A 5.0729 8.8917 130.3997 50.0969 21.3330 175.0486 7 S 4.8854 9.2834 119.0662 58.0795 63.7601 173.0595 8 I 4.6968 8.9859 128.2877 59.2010 40.8443 174.2177 9 L 5.0431 8.1981 127.1571 53.3594 44.4711 175.2351 10 V 4.6804 8.5464 126.6183 61.3930 33.4538 175.5720 11 Q 4.3397 8.7913 124.6445 54.8416 30.1752 174.1577 12 P 4.4181 0.0000 0.0000 64.2260 31.6164 177.3867 13 G 3.9913 8.7167 112.1411 46.1900 0.0000 174.4625 14 R 4.4883 7.8758 118.3262 56.2325 30.1786 177.8922 15 E 4.1611 8.1236 120.9713 59.6348 29.5798 178.9776 16 A 4.0950 8.0405 120.3325 55.0381 18.5448 179.2349 17 D 4.2933 8.0880 117.0872 57.4304 40.9477 178.6411 18 F 4.1481 8.4062 121.1009 61.4148 39.4520 176.8000 19 E 3.5429 8.2080 117.9846 59.3043 29.1600 179.2255 20 A 4.0226 8.1194 120.6865 55.3470 18.5053 180.0703 21 G 3.4291 8.0719 103.9865 47.4898 0.0000 176.2814 22 V 3.8031 7.4472 119.7288 65.9397 31.8291 177.5158 23 A 4.1284 7.7999 120.5316 55.4353 17.9959 179.4293 24 Q 3.9772 8.1951 116.6614 58.9298 29.2870 177.4132 25 A 4.5048 8.1170 119.7902 52.7167 18.9165 179.2036 26 R 4.0463 7.9527 118.1843 58.8643 29.9179 177.0834 27 P 4.3566 0.0000 0.0000 65.5989 31.3978 178.0730 28 L 4.2177 7.5087 116.8990 57.7281 41.7375 179.4518 29 F 4.0427 7.4928 115.1530 57.7954 38.0312 176.9649 *31 R 4.2180 8.0125 115.7760 55.3282 31.1746 175.2986 32 A 4.3505 8.1232 123.6212 51.6113 19.1360 177.1129 33 R 4.0837 8.6835 122.4859 57.8051 30.6811 176.8775 34 G 4.1437 8.9635 111.5871 46.4756 0.0000 171.6707 35 C 4.3266 7.6642 119.6387 58.0369 32.2733 173.0206 36 H 4.8169 9.8198 123.5001 53.6774 29.4340 173.5843 37 G 4.2753 6.5188 113.7541 45.1173 0.0000 171.9017 38 V 4.5746 7.5268 120.4447 60.7157 34.5103 174.3463 39 A 4.7871 8.8858 128.4922 49.9153 22.8350 174.2661 40 L 5.2513 8.3587 120.9269 53.5866 44.9068 175.3726 41 H 5.0974 9.5745 122.9479 53.9414 32.5008 172.5341 42 R 4.6048 8.4238 121.3815 54.1951 32.1603 175.1201 43 S 4.2132 8.6530 121.3339 58.5708 63.1253 175.1071 44 I 3.8328 8.4089 127.6526 64.3488 37.4471 177.4057 45 E 4.0411 8.2206 118.0338 58.5700 29.6085 176.7979 46 A 4.5751 7.9653 121.9380 49.0971 18.9499 174.4182 47 P 4.4877 0.0000 0.0000 64.2318 31.9098 177.7452 48 Q 4.3186 7.9862 116.3299 56.8074 29.4346 175.0696 49 R 5.0140 8.0628 119.1035 55.1997 31.9011 175.2015 50 Y 5.2062 9.0561 120.3627 56.4937 42.5037 174.4766 51 T 5.1068 9.2644 118.8341 61.8606 71.5332 172.8312 52 L 4.9389 9.0932 129.5116 53.6332 44.2038 175.1181 53 V 4.7153 8.5499 126.2116 61.2019 33.9563 174.1289 54 V 4.4229 8.5612 128.2761 61.0070 34.4514 173.7644 55 D 5.1227 8.4577 127.9199 52.9168 42.7167 175.6143 56 W 5.5015 9.2083 122.8407 54.9538 33.0647 176.3405 57 E 4.2730 9.5195 123.7103 59.2879 29.3114 177.4453 58 T 4.7612 7.9580 106.0974 59.3978 72.4801 173.8451 59 V 3.5231 8.4157 121.8491 66.2081 31.8726 177.8964 60 D 4.2581 8.1139 119.1562 57.3834 40.3842 178.1449 61 N 4.8704 7.8897 118.0838 55.9884 38.6742 175.9989 62 H 3.1832 7.1026 116.4426 56.9696 29.6212 176.5799 *64 V 3.9002 7.5907 118.9163 63.7061 33.6982 176.9801 65 D 4.2859 8.4710 119.0008 57.5436 41.4825 179.0315 66 F 4.2048 8.4550 121.2658 61.3431 39.5867 177.4221 67 R 3.0231 7.6436 118.2040 59.0428 29.7835 177.5620 68 Q 4.3023 7.8630 114.2956 55.7530 28.6771 175.5299 69 S 4.7340 7.4826 113.2937 56.1828 65.4996 175.0835 70 A 3.9914 8.4047 122.6381 55.4891 18.0176 179.7977 71 D 4.3739 7.7056 117.1748 57.2088 40.8234 178.4796 72 F 4.0753 7.5748 121.2525 61.3423 39.1698 177.2529 73 Q 3.7347 7.7759 117.1645 58.5376 28.6900 177.7952 74 E 3.8559 8.0798 120.4276 58.8738 29.6871 178.3462 75 W 4.4104 8.6396 128.7588 60.9752 30.6666 178.0621 76 R 3.3942 7.6846 117.5514 59.0590 29.2024 179.2076 77 K 3.8097 7.7658 117.3052 59.3872 32.0502 179.0822 78 L 4.0579 7.4255 118.4481 56.9525 41.9070 178.3531 79 V 4.0891 7.1357 109.7140 60.7468 33.9719 177.8237 80 G 2.9320 7.6488 112.0735 48.8750 0.0000 175.5511 81 E 4.1533 7.5792 112.8877 56.9693 30.2855 179.9524 82 C 4.3450 7.7613 115.6207 62.6866 28.6332 174.1425 83 F 4.8521 7.2736 118.3288 57.4978 38.9598 175.1801 84 A 4.3824 8.9306 127.5962 53.8226 19.2950 176.9129 85 E 4.7167 7.5778 111.0673 54.3979 32.3757 172.8861 86 P 4.3670 0.0000 0.0000 61.7656 31.7693 174.9471 87 P 4.3597 0.0000 0.0000 63.3623 32.3180 175.6181 88 Q 4.4804 8.8160 122.4776 54.8212 30.1910 174.8108 89 V 5.0473 8.4588 124.2760 61.4027 34.2315 173.9713 90 H 5.0632 8.9787 121.7696 54.8604 32.6696 171.3621 91 H 5.4177 8.7659 114.1252 54.1592 32.0444 173.1936 92 E 4.9239 9.5663 120.1853 54.7629 34.0660 174.5475 93 Q 4.9435 8.4649 119.3153 53.7377 32.2223 175.4813 94 K 4.0565 8.6991 124.3467 56.5449 32.8761 176.3250 95 V 4.0501 8.5297 125.8559 64.2544 32.4423 175.4237 96 L 4.3750 7.6145 122.2005 54.8707 42.3944 176.1946 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 Q 8.33 4.27 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 0 G 7.81 3.71 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 0.00 0.00 0.00 2 I 8.30 4.45 1.95 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.11 0.95 0.00 0.00 3 Q 8.81 5.22 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.05 0.00 0.00 0.00 0.00 0.00 2.44 2.27 0.00 4 E 9.42 4.45 0.00 2.28 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 0.00 2.30 2.25 0.00 5 I 8.85 4.83 1.53 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.03 0.93 0.00 0.00 6 A 8.89 5.07 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 7 S 9.28 4.89 0.00 3.90 3.84 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 8 I 8.99 4.70 1.85 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.49 0.35 0.00 0.00 9 L 8.20 5.04 0.00 1.69 1.44 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.55 4.68 2.34 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 0.92 0.00 0.00 0.43 0.00 0.00 11 Q 8.79 4.34 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 12 P 0.00 4.42 0.00 2.05 2.02 0.00 3.72 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 2.04 2.24 0.00 13 G 8.72 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 0.00 0.00 0.00 14 R 7.88 4.49 0.00 1.89 1.97 0.00 3.31 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 15 E 8.12 4.16 0.00 2.20 2.29 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 2.77 2.69 0.00 16 A 8.04 4.10 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 17 D 8.09 4.29 0.00 2.93 2.73 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 18 F 8.41 4.15 0.00 3.01 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 19 E 8.21 3.54 0.00 2.18 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 2.34 2.49 0.00 20 A 8.12 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 21 G 8.07 3.43 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 0.00 22 V 7.45 3.80 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 0.80 0.00 0.00 0.27 0.00 0.00 23 A 7.80 4.13 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 24 Q 8.20 3.98 0.00 2.05 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 25 A 8.12 4.50 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 0.00 0.00 0.00 0.00 0.00 26 R 7.95 4.05 0.00 2.06 2.02 0.00 3.10 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 27 P 0.00 4.36 0.00 2.05 2.14 0.00 3.84 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 2.06 2.21 0.00 28 L 7.51 4.22 0.00 1.50 1.71 1.10 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.49 4.04 0.00 3.23 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 *31 R 8.01 4.22 0.00 1.97 2.11 0.00 3.06 0.00 0.00 3.41 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 32 A 8.12 4.35 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 0.00 0.00 0.00 0.00 0.00 33 R 8.68 4.08 0.00 1.87 1.98 0.00 3.36 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 34 G 8.96 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 35 C 7.66 4.33 0.00 2.40 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 36 H 9.82 4.82 0.00 3.02 3.15 0.00 5.86 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 37 G 6.52 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 0.00 0.00 0.00 0.00 38 V 7.53 4.57 1.78 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 0.19 0.00 0.00 0.35 0.00 0.00 39 A 8.89 4.79 1.15 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 40 L 8.36 5.25 0.00 1.56 1.51 1.17 0.76 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 41 H 9.57 5.10 0.00 3.11 3.17 0.00 5.61 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 42 R 8.42 4.60 0.00 1.55 1.65 0.00 3.16 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.57 0.00 43 S 8.65 4.21 0.00 3.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.41 3.83 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 1.39 0.63 0.90 0.00 0.00 45 E 8.22 4.04 0.00 1.92 2.00 0.00 0.00 0.00 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 2.36 0.00 46 A 7.97 4.58 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.49 0.00 2.04 2.09 0.00 3.71 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 2.01 2.04 0.00 48 Q 7.99 4.32 0.00 2.13 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.97 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 49 R 8.06 5.01 0.00 1.82 1.82 0.00 3.05 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 50 Y 9.06 5.21 0.00 3.05 3.09 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 51 T 9.26 5.11 4.32 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 1.24 0.00 0.00 52 L 9.09 4.94 0.00 1.93 1.61 0.82 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.55 4.72 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 0.91 0.00 0.00 0.93 0.00 0.00 54 V 8.56 4.42 2.11 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 0.05 0.00 0.00 0.35 0.00 0.00 55 D 8.46 5.12 0.00 2.39 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.21 5.50 0.00 3.22 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 57 E 9.52 4.27 0.00 2.19 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 2.47 2.62 0.00 58 T 7.96 4.76 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 59 V 8.42 3.52 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 0.66 0.00 0.00 0.85 0.00 0.00 60 D 8.11 4.26 0.00 2.67 2.64 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 61 N 7.89 4.87 0.00 3.07 3.25 0.00 0.00 6.35 7.96 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 62 H 7.10 3.18 0.00 1.40 2.61 0.00 5.63 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *64 V 7.59 3.90 2.11 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 0.93 0.00 0.00 0.85 0.00 0.00 65 D 8.47 4.29 0.00 2.95 2.73 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 66 F 8.45 4.20 0.00 3.12 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 67 R 7.64 3.02 0.00 1.56 1.58 0.00 2.38 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 68 Q 7.86 4.30 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 69 S 7.48 4.73 0.00 4.01 4.11 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 70 A 8.40 3.99 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 71 D 7.71 4.37 0.00 2.57 2.83 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 72 F 7.57 4.08 0.00 2.56 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 73 Q 7.78 3.73 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 74 E 8.08 3.86 0.00 2.09 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 2.33 2.40 0.00 75 W 8.64 4.41 0.00 3.40 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 76 R 7.68 3.39 0.00 1.68 1.70 0.00 3.10 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.52 0.00 77 K 7.77 3.81 0.00 1.80 1.78 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.49 7.81 78 L 7.43 4.06 0.00 1.67 1.59 1.00 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 79 V 7.14 4.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 -0.57 0.00 0.00 80 G 7.65 2.93 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 81 E 7.58 4.15 0.00 2.00 1.86 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 2.22 1.90 0.00 82 C 7.76 4.35 0.00 3.05 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 83 F 7.27 4.85 0.00 2.99 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 84 A 8.93 4.38 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 85 E 7.58 4.72 0.00 2.05 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 2.17 2.29 0.00 86 P 0.00 4.37 0.00 2.10 2.11 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 87 P 0.00 4.36 0.00 1.94 1.87 0.00 3.68 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.01 0.00 88 Q 8.82 4.48 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 89 V 8.46 5.05 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 0.89 0.00 0.00 1.04 0.00 0.00 90 H 8.98 5.06 0.00 3.22 3.34 0.00 5.26 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 8.77 5.42 0.00 3.01 3.25 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 9.57 4.92 0.00 1.81 1.80 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 2.28 2.21 0.00 93 Q 8.46 4.94 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 94 K 8.70 4.06 0.00 1.71 1.73 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.50 7.81 95 V 8.53 4.05 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 0.88 0.00 0.00 0.94 0.00 0.00 96 L 7.61 4.38 0.00 1.61 1.48 0.92 0.80 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 * Residues marked with a * may have inaccurate shift predictions.