NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3156 8.1631 115.2427 61.5930 68.2708 173.6048 3 G 3.9441 7.5810 110.0059 43.8470 0.0000 169.0721 4 H 4.7507 11.0246 123.7809 54.4902 30.5225 173.4307 5 I 4.1417 8.5834 127.6867 62.7781 38.7111 176.6357 6 D 4.8704 7.5621 115.8332 50.3013 43.6440 175.0018 7 P 4.5790 0.0000 0.0000 62.7474 32.5937 176.5933 8 T 4.3419 8.2370 117.7375 63.1514 70.4230 176.5019 9 K 4.0064 8.7325 129.6357 60.4532 31.1155 179.0336 10 E 4.2703 8.1170 119.2985 59.3161 29.4667 179.5550 11 V 3.7797 7.7913 117.5443 65.5421 31.6799 177.5500 12 F 4.6863 8.5667 120.3270 60.6908 39.0635 177.2113 13 A 3.8888 7.7900 119.5228 55.3416 18.0334 179.4010 14 Q 3.5956 7.6040 114.3653 59.1263 29.0631 179.2048 15 F 4.2157 8.1028 121.2940 61.5488 39.3638 177.5802 16 R 3.8937 7.9272 116.1171 59.0286 29.8668 178.3978 17 A 4.0529 8.5284 121.0043 55.0369 18.3617 178.9752 18 N 4.2675 8.0110 115.3430 56.4691 39.0831 176.9741 19 D 4.5014 7.9187 116.2028 53.1921 38.7752 173.8700 20 R 3.8641 7.3858 115.8549 57.4414 29.6997 175.4493 21 E 4.0847 8.6168 120.7416 56.0932 29.9218 176.0586 22 G 3.8976 7.9568 114.0196 45.0879 0.0000 169.6304 23 P 5.2017 0.0000 0.0000 61.4872 33.7513 174.6826 24 I 4.9290 8.9626 112.5246 59.7772 41.3370 174.3695 25 H 5.6192 8.7529 120.1649 52.9284 33.1180 171.7018 *27 L 4.3949 8.2427 119.4740 55.6301 43.5769 175.6512 28 N 5.1264 8.7347 124.1318 51.4213 41.2911 173.7133 29 L 4.3529 8.9861 125.3622 52.8827 43.8371 175.3247 30 V 4.7137 8.7401 124.6828 60.9221 34.2931 174.4357 31 R 4.9564 9.3804 128.4935 54.4527 31.8416 174.7507 32 L 4.7806 8.7862 127.1390 54.6001 42.6638 177.4338 33 R 4.3728 8.8860 119.0028 55.2228 31.4125 175.7560 34 P 4.2928 0.0000 0.0000 65.7643 32.7368 176.9365 35 R 4.6777 7.8298 119.9836 54.7653 30.3499 178.0712 36 A 4.4044 8.4078 127.1136 50.6915 19.3718 176.9658 37 A 4.7813 8.1329 120.9375 51.4418 19.4644 177.1583 38 Y 4.0269 8.1527 118.0895 58.2426 38.7748 175.4572 39 P 4.6054 0.0000 0.0000 62.7451 34.1079 178.4868 40 D 4.2116 8.9874 125.6592 56.6732 38.7835 175.9626 *43 E 4.2133 9.4584 125.2435 56.7935 32.2714 178.2601 44 T 4.3579 7.4345 111.2651 61.2254 69.8201 178.9718 45 T 4.7678 8.0884 110.6359 61.7150 71.6286 176.2202 46 G 4.1505 8.7566 109.1446 47.6788 0.0000 176.0748 47 A 4.1083 8.0225 123.1146 54.5058 18.4105 179.5323 48 E 3.9235 8.2521 116.9855 59.5801 29.2581 179.2191 49 A 4.2052 8.1278 120.8776 55.3358 18.4282 179.1253 50 Y 3.9818 8.5592 118.0610 60.9398 38.8965 177.8930 51 A 4.0176 8.2107 121.3994 55.4937 18.2986 178.6837 52 A 3.8159 8.2002 119.1344 55.2822 18.1107 178.8667 53 Y 4.4310 7.9429 116.1591 60.7604 39.0820 179.2168 54 G 3.6128 7.8008 106.1453 48.0072 0.0000 175.7097 55 R 3.9008 7.8379 119.8128 58.6869 30.0818 178.4586 56 D 4.5879 8.1034 120.1080 57.3749 41.5740 179.4733 57 S 4.2985 9.1269 120.3903 63.6942 62.2486 179.0369 58 G 4.1752 7.6480 109.5970 46.9972 0.0000 174.0005 59 P 4.2359 0.0000 0.0000 65.1136 31.4040 178.6939 60 V 3.5809 7.7657 116.4363 66.0638 31.4966 177.3502 *61 F 4.1420 8.2228 122.2868 62.0246 38.8369 177.5724 62 E 3.9636 8.8586 118.3142 61.2301 29.2896 181.0486 63 R 4.1268 7.6163 118.1558 59.0261 30.3191 177.8484 64 L 4.4532 7.7719 115.4589 54.8329 41.8895 177.5109 65 G 3.9449 7.7783 107.2212 45.1571 0.0000 174.0936 66 G 3.5139 8.0452 106.8048 45.7321 0.0000 173.9891 67 K 4.6643 8.4417 120.6639 55.0067 36.5347 175.4653 68 V 4.1830 8.3277 123.5036 62.5009 31.2846 175.8904 69 V 3.8439 8.7909 129.0785 65.1835 31.8873 175.7379 70 W 5.3312 7.7108 127.5898 56.1048 34.7183 173.1431 71 Q 3.8365 6.8614 120.5385 55.0270 31.2938 172.9501 72 G 4.0326 7.4480 112.5302 44.3368 0.0000 171.2509 73 Q 4.6328 8.2870 120.3350 53.4570 30.5644 174.8035 74 F 4.1476 8.9974 127.8525 58.7828 40.0125 173.2321 75 E 4.5671 8.1665 125.8065 57.5094 32.2811 174.9462 76 L 3.9381 6.2417 122.6662 54.1484 44.6903 176.2171 *78 L 4.3835 8.6384 115.2511 53.9156 43.5215 176.8218 79 I 4.4582 8.3362 117.5666 58.7847 39.8494 174.4967 80 G 4.3579 8.6827 110.4016 41.9899 0.0000 170.9420 81 P 4.4155 0.0000 0.0000 62.7440 31.9620 178.2426 82 Q 3.9771 8.9649 123.6688 58.6485 28.3937 175.1864 83 D 4.5503 8.3058 115.7696 56.3601 39.7058 180.2405 84 E 3.6151 7.3732 118.7451 56.5756 29.8433 176.8605 85 H 3.6166 7.2542 115.8552 54.2978 30.8513 172.9338 86 W 4.7447 7.0755 124.3917 55.0912 30.7761 175.8203 87 D 4.6465 8.9100 122.1545 56.1137 41.4509 176.6291 88 H 4.9440 8.2134 115.2660 54.0792 33.4974 172.4971 89 V 5.0401 8.4227 122.1754 61.2212 34.5376 173.9893 90 F 5.1745 8.6234 120.9167 56.1504 41.9230 172.9198 91 I 4.8491 9.2635 120.7577 59.7209 39.3054 174.5289 92 A 5.1667 8.7989 128.9884 50.5008 21.4813 174.8657 93 E 4.9374 9.4146 122.8746 54.6196 32.3606 174.4018 94 Y 5.1641 8.8247 123.4271 55.5758 41.5706 174.9690 95 P 4.5259 0.0000 0.0000 64.6466 32.4369 176.7732 96 S 4.8020 7.6950 112.7086 56.2886 66.5397 176.0174 97 V 3.6500 8.3221 123.3400 64.9864 31.0253 178.4652 98 A 4.0459 8.0231 120.8906 54.7538 18.0871 179.1911 99 A 4.0091 7.6762 118.0989 55.3035 18.5856 179.2616 100 F 3.7124 7.9763 117.6496 61.2981 39.2344 177.1395 101 V 3.9677 8.1045 117.7904 65.9596 30.9258 179.3017 102 E 3.8430 8.1234 118.0321 56.5103 29.3507 178.9581 *104 I 3.1555 7.7976 120.7868 60.7776 39.0827 176.8619 105 R 4.3284 7.2838 116.1637 56.4566 30.9131 176.7641 106 D 4.4263 7.7127 118.9249 53.8703 42.2326 174.5639 107 P 4.3088 0.0000 0.0000 66.4580 31.5462 179.3515 108 V 3.6778 8.5126 118.4622 66.1949 31.5592 179.5348 109 Y 4.0506 8.0724 120.0217 60.6041 38.5249 177.9194 110 R 4.1071 8.8546 120.9006 60.4041 30.4437 179.1547 111 E 4.1019 8.4143 117.4245 61.0132 29.3423 180.6801 112 A 4.3313 7.9503 121.4738 53.9913 18.3623 179.7164 113 V 3.1230 7.6981 120.2561 64.3595 31.3840 179.0199 114 K 3.6221 7.3223 124.3570 60.1932 31.7039 183.2041 115 H 4.3378 7.5702 115.6874 58.7179 28.6547 177.8026 116 R 3.7721 7.5562 122.3282 60.1995 29.5891 178.7824 117 Q 3.8733 8.2462 119.2810 60.0907 28.1782 179.9411 118 A 4.2806 7.5841 119.6802 53.4190 18.7841 178.7742 119 A 4.3164 7.9427 119.0395 52.2665 19.5148 177.1798 120 V 4.1692 7.4351 119.7866 63.0274 32.3059 176.1326 121 E 4.2997 8.8927 126.2795 59.5465 30.3877 173.1728 122 D 4.8504 7.9641 116.3651 53.6524 44.5885 174.5757 123 S 5.3550 8.8647 117.8551 57.6392 66.7519 173.2049 124 R 4.6323 8.8165 118.5752 54.3475 34.1556 175.0026 125 L 4.8097 8.3665 123.6650 53.9630 44.3409 174.8740 126 I 4.4925 8.6881 127.9599 59.4207 39.3558 175.3967 127 R 4.6194 8.5499 126.8787 55.2158 31.1910 175.2732 128 L 4.8238 9.2044 128.6804 53.4435 45.6987 176.8734 129 K 4.5984 8.6117 124.9675 52.1336 31.4985 173.4360 130 P 4.3108 0.0000 0.0000 62.1019 31.5484 175.4400 131 L 4.7528 8.0048 121.0959 52.8962 45.3278 176.8503 132 K 4.1409 8.4114 121.4849 53.6923 32.0316 174.0501 133 P 4.4436 0.0000 0.0000 62.2145 31.2253 176.0598 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 T 8.16 4.32 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 1.22 0.00 0.00 3 G 7.58 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 11.02 4.75 0.00 3.47 3.29 0.00 5.78 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.58 4.14 1.85 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 1.29 0.58 0.89 0.00 0.00 6 D 7.56 4.87 0.00 2.63 2.36 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 7 P 0.00 4.58 0.00 1.93 1.85 0.00 3.58 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.48 0.00 8 T 8.24 4.34 4.35 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 1.26 0.00 0.00 9 K 8.73 4.01 0.00 1.75 1.86 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.14 7.81 10 E 8.12 4.27 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 2.40 1.93 0.00 11 V 7.79 3.78 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 1.10 0.00 0.00 0.97 0.00 0.00 12 F 8.57 4.69 0.00 3.20 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 13 A 7.79 3.89 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 14 Q 7.60 3.60 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 15 F 8.10 4.22 0.00 3.21 3.37 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 16 R 7.93 3.89 0.00 1.76 1.90 0.00 3.08 0.00 0.00 2.98 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 17 A 8.53 4.05 1.32 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 0.00 0.00 18 N 8.01 4.27 0.00 2.71 2.72 0.00 0.00 7.11 8.37 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 19 D 7.92 4.50 0.00 2.83 2.86 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 20 R 7.39 3.86 0.00 1.83 1.97 0.00 3.03 0.00 0.00 3.08 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 21 E 8.62 4.08 0.00 1.94 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 2.28 2.30 0.00 22 G 7.96 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 23 P 0.00 5.20 0.00 2.15 2.12 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 24 I 8.96 4.93 1.91 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 1.56 1.12 0.87 0.00 0.00 25 H 8.75 5.62 0.00 3.22 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 L 8.24 4.39 0.00 1.77 1.53 1.05 0.46 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 28 N 8.73 5.13 0.00 1.44 1.77 0.00 0.00 6.35 7.17 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 29 L 8.99 4.35 0.00 0.48 0.13 0.32 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.74 4.71 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 0.98 0.00 0.00 1.18 0.00 0.00 31 R 9.38 4.96 0.00 1.88 2.02 0.00 2.68 0.00 0.00 3.01 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 32 L 8.79 4.78 0.00 1.58 1.60 0.80 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.89 4.37 0.00 1.87 2.06 0.00 2.93 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 34 P 0.00 4.29 0.00 2.11 2.13 0.00 3.58 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 35 R 7.83 4.68 0.00 1.58 1.73 0.00 3.28 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.18 0.00 36 A 8.41 4.40 1.50 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 0.00 0.00 37 A 8.13 4.78 1.22 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 38 Y 8.15 4.03 0.00 2.92 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 39 P 0.00 4.61 0.00 2.09 2.04 0.00 4.10 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 1.98 0.00 40 D 8.99 4.21 0.00 2.85 2.24 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 *43 E 9.46 4.21 0.00 2.01 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 2.13 1.88 0.00 44 T 7.43 4.36 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 45 T 8.09 4.77 4.27 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 1.23 0.00 0.00 46 G 8.76 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 0.00 0.00 0.00 47 A 8.02 4.11 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 48 E 8.25 3.92 0.00 2.36 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 2.33 2.19 0.00 49 A 8.13 4.21 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 0.00 0.00 0.00 0.00 0.00 50 Y 8.56 3.98 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 51 A 8.21 4.02 1.44 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 52 A 8.20 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.94 4.43 0.00 2.74 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 54 G 7.80 3.61 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 0.00 0.00 0.00 55 R 7.84 3.90 0.00 1.95 1.97 0.00 3.13 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 56 D 8.10 4.59 0.00 2.62 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 57 S 9.13 4.30 0.00 3.59 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 58 G 7.65 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 0.00 0.00 0.00 0.00 59 P 0.00 4.24 0.00 2.17 2.11 0.00 3.65 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 2.10 2.13 0.00 60 V 7.77 3.58 2.36 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 1.19 0.00 0.00 1.07 0.00 0.00 *61 F 8.22 4.14 0.00 2.68 2.35 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 62 E 8.86 3.96 0.00 1.97 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 0.00 2.25 2.20 0.00 63 R 7.62 4.13 0.00 1.99 2.21 0.00 3.24 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 64 L 7.77 4.45 0.00 1.78 1.78 1.00 1.07 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 65 G 7.78 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.05 3.51 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 67 K 8.44 4.66 0.00 1.76 1.81 0.00 1.31 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.34 7.81 68 V 8.33 4.18 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 0.81 0.00 0.00 0.94 0.00 0.00 69 V 8.79 3.84 2.35 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 0.91 0.00 0.00 0.97 0.00 0.00 70 W 7.71 5.33 0.00 3.42 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 71 Q 6.86 3.84 0.00 1.91 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.56 0.00 0.00 0.00 0.00 0.00 1.93 2.06 0.00 72 G 7.45 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 0.00 0.00 0.00 73 Q 8.29 4.63 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 74 F 9.00 4.15 0.00 3.19 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 75 E 8.17 4.57 0.00 1.79 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 2.17 2.38 0.00 76 L 6.24 3.94 0.00 1.42 1.00 0.94 0.90 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 *78 L 8.64 4.38 0.00 1.64 1.72 0.93 0.88 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 79 I 8.34 4.46 1.90 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 1.36 0.81 0.94 0.00 0.00 80 G 8.68 4.36 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 0.00 81 P 0.00 4.42 0.00 2.23 2.21 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 82 Q 8.96 3.98 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.96 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 83 D 8.31 4.55 0.00 2.68 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 84 E 7.37 3.62 0.00 2.03 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 85 H 7.25 3.62 0.00 2.56 2.87 0.00 5.50 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 7.08 4.74 0.00 3.36 3.16 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 87 D 8.91 4.65 0.00 2.67 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 88 H 8.21 4.94 0.00 3.09 3.36 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 89 V 8.42 5.04 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 1.37 0.00 0.00 1.16 0.00 0.00 90 F 8.62 5.17 0.00 3.27 2.96 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 91 I 9.26 4.85 2.23 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 1.27 1.20 1.09 0.00 0.00 92 A 8.80 5.17 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 9.41 4.94 0.00 1.94 1.69 0.00 0.00 0.00 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 2.12 0.00 94 Y 8.82 5.16 0.00 3.14 2.96 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 95 P 0.00 4.53 0.00 2.24 2.22 0.00 4.04 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 2.10 2.03 0.00 96 S 7.69 4.80 0.00 4.06 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 97 V 8.32 3.65 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 0.75 0.00 0.00 0.31 0.00 0.00 98 A 8.02 4.05 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 99 A 7.68 4.01 1.53 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 0.00 0.00 100 F 7.98 3.71 0.00 2.87 3.36 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 0.00 101 V 8.10 3.97 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 0.96 0.00 0.00 1.03 0.00 0.00 102 E 8.12 3.84 0.00 2.27 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 2.44 2.52 0.00 *104 I 7.80 3.16 2.01 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.85 0.90 0.00 0.00 105 R 7.28 4.33 0.00 1.82 1.97 0.00 3.26 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 106 D 7.71 4.43 0.00 2.56 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 0.00 107 P 0.00 4.31 0.00 2.22 2.11 0.00 3.68 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 108 V 8.51 3.68 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 0.78 0.00 0.00 0.93 0.00 0.00 109 Y 8.07 4.05 0.00 3.11 3.07 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 0.00 0.00 0.00 0.00 110 R 8.85 4.11 0.00 2.07 2.06 0.00 3.22 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 111 E 8.41 4.10 0.00 1.99 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 0.00 2.24 2.19 0.00 112 A 7.95 4.33 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 3.12 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 0.78 0.00 0.00 0.71 0.00 0.00 114 K 7.32 3.62 0.00 1.82 1.80 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.38 7.81 115 H 7.57 4.34 0.00 3.32 3.58 0.00 5.59 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 0.00 116 R 7.56 3.77 0.00 0.67 1.23 0.00 2.96 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 117 Q 8.25 3.87 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 118 A 7.58 4.28 0.67 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 0.00 0.00 119 A 7.94 4.32 1.61 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 0.00 0.00 120 V 7.44 4.17 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 0.95 0.00 0.00 1.18 0.00 0.00 121 E 8.89 4.30 0.00 1.82 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 2.13 0.00 122 D 7.96 4.85 0.00 2.81 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 0.00 123 S 8.86 5.35 0.00 4.01 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 0.00 124 R 8.82 4.63 0.00 1.25 1.62 0.00 3.19 0.00 0.00 3.02 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.49 0.00 125 L 8.37 4.81 0.00 1.53 1.47 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.69 4.49 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.67 0.89 0.00 0.00 127 R 8.55 4.62 0.00 1.95 1.89 0.00 2.99 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 128 L 9.20 4.82 0.00 1.81 1.47 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.61 4.60 0.00 1.77 1.63 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 0.98 7.81 130 P 0.00 4.31 0.00 2.06 1.68 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 131 L 8.00 4.75 0.00 1.56 1.56 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.41 4.14 0.00 1.77 1.61 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.03 7.81 133 P 0.00 4.44 0.00 2.02 2.00 0.00 3.91 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.