NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.1886 8.6498 118.6094 53.8407 39.1883 172.9361 2 F 4.9156 7.8881 119.5000 55.6944 41.1436 171.6761 3 M 4.9209 10.6600 120.1889 53.5624 36.4819 176.5311 4 L 5.1425 8.5238 120.4133 53.4015 44.4053 174.9472 5 N 5.2030 9.2284 122.9498 52.1347 40.2221 174.7751 6 Q 5.3134 8.8048 121.1045 51.8647 33.1258 173.4024 7 P 4.4283 0.0000 0.0000 62.9399 32.3955 176.7466 8 H 4.3130 9.0629 121.7225 59.1074 30.9256 174.9531 9 S 5.2838 7.7766 111.8635 55.6756 67.7045 173.3943 *11 V 4.4629 8.4682 121.3860 63.0613 32.6587 174.2354 12 S 5.6588 8.3441 120.4801 55.9598 66.2053 172.4950 13 E 4.7306 8.3975 122.2653 55.9996 32.8782 175.1121 14 S 4.7351 8.5094 122.4452 57.3165 64.0125 172.9889 15 P 4.3803 0.0000 0.0000 64.6090 31.6380 175.5212 16 G 3.9685 9.1969 111.8771 46.0806 0.0000 174.5488 17 K 4.3767 7.5353 122.7773 55.0313 34.0997 179.3207 18 T 5.0463 8.2730 113.9250 63.2164 70.9095 174.3128 19 V 4.5135 8.7274 126.2168 60.0693 34.3785 174.6656 20 T 4.8855 8.3335 119.0365 61.7746 71.3771 173.2233 21 I 4.5197 8.5151 127.2978 59.4554 39.9516 175.2405 22 S 5.1666 8.6796 121.5853 57.6523 65.9140 174.0834 23 C 5.0851 9.3786 121.0428 55.7634 44.9991 172.4079 24 T 5.0279 9.1806 124.5137 61.6966 70.2354 174.1366 25 R 4.5731 8.3513 128.2536 55.8045 29.9470 176.2666 26 S 4.5098 9.1646 123.2844 61.3151 63.4421 175.1907 27 S 4.5083 8.0074 112.1191 57.7078 65.5711 174.2445 27A G 3.9457 8.6684 108.8973 45.6675 0.0000 173.0073 27B N 4.4966 8.3895 118.8429 52.9010 39.0840 176.1304 28 I 3.5033 9.1638 124.3367 64.0054 38.1701 176.7817 29 D 4.6057 7.8962 116.7405 53.7259 39.4815 176.8233 30 S 4.3555 7.7653 114.4716 59.7562 63.6734 173.9589 31 N 4.9554 7.3406 117.7828 51.4676 42.5214 173.9245 32 Y 4.6311 8.5652 119.2830 58.6159 38.7975 175.2342 33 V 4.6033 9.2006 123.5127 61.2881 34.1852 174.5224 34 Q 5.0489 8.8061 126.3812 53.8971 32.3063 174.4767 35 W 5.1565 9.0021 120.6753 55.2120 32.7626 174.0555 36 Y 5.5415 9.3776 122.6774 56.3462 40.8786 174.3592 37 Q 4.4647 9.4153 124.7165 54.2408 31.6256 173.8805 38 Q 4.8009 9.2835 130.3431 55.0304 31.8142 175.4690 39 R 4.7730 8.4732 127.1313 54.6880 31.7548 170.6156 40 P 4.2745 0.0000 0.0000 65.4418 31.1989 176.1772 41 G 4.0079 8.9878 109.7054 46.1087 0.0000 172.4369 42 S 4.6738 7.6866 111.7158 55.6026 66.2542 173.2818 43 A 4.2536 8.1967 122.9649 51.0675 18.9305 175.6815 44 P 4.8973 0.0000 0.0000 62.5675 32.4768 175.9897 45 I 4.7550 8.5541 114.6959 59.4521 41.3287 174.3284 46 T 5.0687 8.6888 120.8992 63.7104 68.5637 174.8552 47 V 4.2651 8.9537 119.6219 62.0327 33.8783 176.4400 48 I 5.0948 7.6904 120.2276 60.0760 41.6848 173.5845 49 Y 4.9813 8.5614 123.4212 55.2400 41.8958 174.3427 50 E 3.4253 10.1657 117.9378 57.7207 27.8598 175.3468 51 D 5.1624 9.3336 125.7177 55.1705 40.6150 177.0294 52 N 5.0963 7.6740 110.5675 53.0682 38.5748 173.4609 53 Q 4.0464 8.1231 119.2408 55.1607 29.5670 174.9095 54 R 4.8794 8.1283 122.0431 53.4974 31.7316 174.5854 55 P 4.6931 0.0000 0.0000 62.0967 32.2101 175.9825 56 S 4.2836 8.3598 114.4286 59.7999 63.5338 172.9200 57 G 4.1417 8.9878 110.7084 46.1113 0.0000 174.4711 58 V 3.7689 7.2261 119.6169 61.2136 32.1883 174.0900 59 P 4.4915 0.0000 0.0000 62.5926 31.7598 176.7872 60 D 4.6471 8.6600 119.6201 54.7883 39.5059 177.4124 61 R 4.0273 8.0308 119.9232 58.5937 31.1731 176.0045 62 F 5.1150 8.3224 117.7156 55.9125 40.6135 175.5553 63 A 4.6484 8.8624 124.1035 50.3816 22.6608 175.0888 64 G 4.6424 8.9356 108.8313 44.0827 0.0000 172.6330 65 S 4.9056 8.7731 116.2728 57.0518 67.3987 172.6634 66 I 4.9307 8.2048 119.6775 59.6372 40.5967 174.8194 66A D 4.8092 9.3350 127.2581 52.4887 42.1474 176.7465 66B R 4.0684 8.6209 126.1325 58.2146 30.5679 179.4004 67 S 4.1757 8.4436 112.8278 60.1252 63.2779 175.1780 68 S 4.5274 8.1331 112.9992 56.8080 63.7976 173.4038 69 N 4.0755 7.7351 118.7886 54.5210 37.7150 172.4975 70 S 5.2572 8.3133 111.6135 57.0838 67.7745 173.8276 71 A 5.3226 9.2487 121.8841 50.4915 22.2222 175.7347 72 S 5.1254 9.2099 114.8968 56.6980 67.7897 172.8876 73 L 4.3185 7.9225 125.7309 53.3491 43.8858 174.9352 74 T 4.8142 8.5883 123.6244 61.7064 71.3646 173.3974 75 I 4.5685 8.6715 127.3900 59.4744 39.9457 175.4315 76 S 4.6209 7.8727 122.1633 55.0884 65.6705 173.5758 77 G 3.9178 8.5251 105.4341 45.4291 0.0000 173.5757 78 L 3.9274 7.3759 119.3643 55.3588 42.7291 175.9615 79 K 4.9168 9.6358 125.0223 54.2643 35.4181 177.3288 80 T 3.8378 8.5264 111.4171 64.6463 68.5731 175.8110 81 E 4.0835 8.1014 121.6192 58.6665 29.8599 177.1266 82 D 4.7270 8.5876 117.8726 56.0997 41.1876 176.4612 83 E 4.6935 8.1121 118.9847 56.0599 30.0328 176.7228 84 A 4.2645 8.1920 124.1858 52.4213 22.8374 173.8390 85 D 5.1960 8.1261 117.8776 53.3951 43.0813 175.8976 86 Y 4.9808 8.7619 120.1271 56.3861 41.4488 174.2150 87 Y 5.5553 9.2986 121.3517 56.4209 41.5160 172.8261 88 C 4.2608 9.2009 118.6305 54.3981 41.2852 172.2518 89 Q 4.7435 7.9165 119.6087 55.3286 32.6296 173.4898 90 S 4.3278 8.3919 118.5398 56.9721 66.3077 171.3052 91 Y 5.1128 8.6686 115.9636 56.3246 40.4817 174.6552 92 D 4.8980 8.7422 123.7894 53.0619 43.7191 177.5309 93 A 3.7666 9.3423 135.0000 54.0206 16.1795 179.2365 94 R 4.6052 9.0497 119.0307 56.1240 32.2926 177.1542 95 N 4.5857 8.1786 115.9978 54.2791 39.6042 173.5167 96 V 4.4345 8.1582 122.9443 61.5984 32.6967 174.9228 97 V 4.3009 8.3627 128.8086 61.2250 33.3929 174.4647 98 F 5.1383 8.7906 125.9055 55.6268 41.2164 175.7579 99 G 4.4517 9.2047 109.6839 45.5504 0.0000 175.1590 100 G 3.6118 8.8327 109.0722 46.8465 0.0000 175.1897 101 G 3.9477 8.4130 105.4496 45.9491 0.0000 172.8871 102 T 4.9007 8.2447 116.5846 60.2351 72.2298 173.1466 103 R 4.6106 8.8085 127.6453 55.0496 31.4970 174.9220 104 L 4.7672 9.1491 130.7762 54.2765 43.6496 175.0727 105 T 4.8920 8.8718 126.7072 62.6947 71.0189 175.2277 106 V 4.8567 9.0569 127.1586 59.0240 30.9994 172.9427 107 L 3.8993 8.7483 128.0712 56.6550 42.3479 177.8037 108 G 4.1079 7.6440 111.3599 46.0413 0.0000 172.9574 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 N 8.65 5.19 0.00 2.70 2.87 0.00 0.00 6.79 6.14 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 2 F 7.89 4.92 0.00 3.05 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 3 M 10.66 4.92 0.00 1.95 2.04 0.00 0.00 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 2.54 2.67 0.00 4 L 8.52 5.14 0.00 1.62 1.60 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 5 N 9.23 5.20 0.00 2.66 2.78 0.00 0.00 6.47 7.29 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 6 Q 8.80 5.31 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.25 0.00 7 P 0.00 4.43 0.00 2.25 2.21 0.00 3.93 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 8 H 9.06 4.31 0.00 3.28 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.78 5.28 0.00 3.82 3.72 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 0.00 0.00 0.00 *11 V 8.47 4.46 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 1.25 0.00 0.00 0.96 0.00 0.00 12 S 8.34 5.66 0.00 3.89 3.76 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 13 E 8.40 4.73 0.00 2.02 1.71 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 2.21 2.30 0.00 14 S 8.51 4.74 0.00 3.46 3.72 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 0.00 0.00 0.00 15 P 0.00 4.38 0.00 2.15 2.07 0.00 3.70 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 1.97 1.96 0.00 16 G 9.20 3.97 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 0.00 0.00 0.00 17 K 7.54 4.38 0.00 1.41 1.73 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.29 7.81 18 T 8.27 5.05 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 1.14 0.00 0.00 19 V 8.73 4.51 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 0.68 0.00 0.00 0.81 0.00 0.00 20 T 8.33 4.89 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 1.11 0.00 0.00 21 I 8.52 4.52 1.46 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.55 1.04 0.00 0.00 22 S 8.68 5.17 0.00 3.97 4.02 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 23 C 9.38 5.09 0.00 3.06 3.27 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 24 T 9.18 5.03 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 1.28 0.00 0.00 25 R 8.35 4.57 0.00 1.65 1.67 0.00 2.26 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.93 0.00 26 S 9.16 4.51 0.00 3.94 4.06 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 27 S 8.01 4.51 0.00 3.98 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 27A G 8.67 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 0.00 0.00 0.00 27B N 8.39 4.50 0.00 2.73 2.97 0.00 0.00 6.65 7.49 0.00 0.00 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 I 9.16 3.50 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.19 0.93 0.00 0.00 29 D 7.90 4.61 0.00 2.79 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 30 S 7.77 4.36 0.00 3.96 3.96 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 31 N 7.34 4.96 0.00 2.69 2.92 0.00 0.00 6.97 7.34 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 32 Y 8.57 4.63 0.00 3.29 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 33 V 9.20 4.60 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 0.69 0.00 0.00 0.95 0.00 0.00 34 Q 8.81 5.05 0.00 1.63 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 35 W 9.00 5.16 0.00 3.21 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 36 Y 9.38 5.54 0.00 3.14 2.90 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 37 Q 9.42 4.46 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.01 1.63 0.00 38 Q 9.28 4.80 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 39 R 8.47 4.77 0.00 1.54 1.78 0.00 3.33 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.19 0.00 40 P 0.00 4.27 0.00 2.17 2.13 0.00 3.89 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 2.00 0.00 41 G 8.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.69 4.67 0.00 3.91 3.81 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 0.00 0.00 0.00 0.00 43 A 8.20 4.25 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 44 P 0.00 4.90 0.00 1.80 2.02 0.00 3.53 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 1.87 2.03 0.00 45 I 8.55 4.76 1.89 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 1.41 1.04 0.91 0.00 0.00 46 T 8.69 5.07 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 47 V 8.95 4.27 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 0.43 0.00 0.00 1.22 0.00 0.00 48 I 7.69 5.09 2.21 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 1.50 0.83 1.08 0.00 0.00 49 Y 8.56 4.98 0.00 2.99 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 50 E 10.17 3.43 0.00 1.81 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 1.47 1.93 0.00 51 D 9.33 5.16 0.00 2.99 2.94 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 52 N 7.67 5.10 0.00 2.73 2.96 0.00 0.00 6.00 7.39 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 53 Q 8.12 4.05 0.00 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.81 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 54 R 8.13 4.88 0.00 1.78 1.88 0.00 3.36 0.00 0.00 3.65 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 55 P 0.00 4.69 0.00 2.30 2.36 0.00 3.96 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 56 S 8.36 4.28 0.00 4.02 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 57 G 8.99 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 58 V 7.23 3.77 2.19 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 0.62 0.00 0.00 0.96 0.00 0.00 59 P 0.00 4.49 0.00 2.50 2.07 0.00 3.83 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 2.32 2.17 0.00 60 D 8.66 4.65 0.00 2.80 2.81 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 0.00 0.00 0.00 0.00 61 R 8.03 4.03 0.00 1.73 1.88 0.00 3.09 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 62 F 8.32 5.12 0.00 2.89 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 63 A 8.86 4.65 1.14 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 64 G 8.94 4.64 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 0.00 65 S 8.77 4.91 0.00 3.88 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 66 I 8.20 4.93 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.99 0.93 0.00 0.00 66A D 9.34 4.81 0.00 2.64 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 66B R 8.62 4.07 0.00 1.91 1.95 0.00 3.17 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.61 0.00 67 S 8.44 4.18 0.00 3.97 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 68 S 8.13 4.53 0.00 3.97 3.96 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 69 N 7.74 4.08 0.00 2.86 2.76 0.00 0.00 6.70 6.92 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 70 S 8.31 5.26 0.00 3.99 4.02 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 71 A 9.25 5.32 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.21 5.13 0.00 3.70 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 73 L 7.92 4.32 0.00 0.27 0.15 0.65 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.59 4.81 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 1.07 0.00 0.00 75 I 8.67 4.57 1.51 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.28 0.15 0.00 0.00 76 S 7.87 4.62 0.00 3.78 3.75 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 0.00 0.00 0.00 0.00 77 G 8.53 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 0.00 0.00 0.00 78 L 7.38 3.93 0.00 1.79 1.63 0.87 0.59 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 79 K 9.64 4.92 0.00 1.79 1.65 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.53 7.81 80 T 8.53 3.84 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 1.22 0.00 0.00 81 E 8.10 4.08 0.00 1.99 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 0.00 2.36 2.37 0.00 82 D 8.59 4.73 0.00 2.82 2.88 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 83 E 8.11 4.69 0.00 2.01 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 2.63 2.17 0.00 84 A 8.19 4.26 1.18 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 85 D 8.13 5.20 0.00 2.59 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 0.00 0.00 0.00 86 Y 8.76 4.98 0.00 3.02 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 87 Y 9.30 5.56 0.00 3.21 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 88 C 9.20 4.26 0.00 1.75 1.18 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 89 Q 7.92 4.74 0.00 1.74 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.50 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 90 S 8.39 4.33 0.00 3.79 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.67 5.11 0.00 3.05 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 92 D 8.74 4.90 0.00 1.82 2.26 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 93 A 9.34 3.77 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 94 R 9.05 4.61 0.00 1.79 1.78 0.00 3.27 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.13 0.00 95 N 8.18 4.59 0.00 2.76 2.77 0.00 0.00 6.65 7.56 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 96 V 8.16 4.43 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 0.30 0.00 0.00 1.01 0.00 0.00 97 V 8.36 4.30 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 0.51 0.00 0.00 98 F 8.79 5.14 0.00 2.87 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 99 G 9.20 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 0.00 0.00 0.00 0.00 100 G 8.83 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 0.00 101 G 8.41 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 0.00 0.00 0.00 102 T 8.24 4.90 4.34 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 1.28 0.00 0.00 103 R 8.81 4.61 0.00 1.89 1.81 0.00 3.38 0.00 0.00 3.17 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.48 0.00 104 L 9.15 4.77 0.00 1.84 1.94 0.89 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.87 4.89 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 1.28 0.00 0.00 106 V 9.06 4.86 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 1.09 0.00 0.00 0.93 0.00 0.00 107 L 8.75 3.90 0.00 1.51 1.81 0.91 0.95 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 0.00 108 G 7.64 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.