NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1246 8.2493 123.5821 52.0413 19.8280 175.7199 *2 S 4.3103 8.2225 115.0073 58.5133 64.8839 172.0644 3 D 4.8479 8.6932 119.6158 53.1351 42.6383 176.0090 4 T 4.7608 8.4097 120.0994 62.0003 69.9620 173.6192 5 L 4.7335 8.4422 129.3520 53.5016 44.5371 174.4259 6 Y 5.0159 9.0098 124.1944 56.3773 40.4613 174.5359 7 I 4.9621 8.8383 125.7749 59.4355 39.8309 174.7925 8 K 4.9090 9.0954 127.6360 54.6504 35.6972 174.5345 *10 D 4.5891 8.4917 123.2147 54.3865 42.0276 175.6895 11 Q 4.2156 8.6729 121.5930 58.8622 30.0586 175.5264 12 A 5.2670 7.7795 117.6202 50.3184 22.5924 175.5023 13 V 4.5373 8.9682 118.7409 60.1717 35.3764 173.7731 14 E 5.1702 8.7106 120.9238 54.7910 32.3311 175.1290 15 I 4.6955 8.7471 123.2734 59.1340 41.9200 175.4011 16 T 5.5889 8.3865 114.3252 60.1168 69.3922 173.4103 17 K 4.7551 7.6362 119.2772 55.2326 36.1533 177.2218 18 K 4.5403 8.2329 120.4286 57.4576 32.2254 176.3710 19 Q 4.7381 7.6661 114.0483 54.4338 32.1907 173.6028 20 V 4.3770 8.2214 120.0834 61.5609 33.7739 174.5596 21 T 4.5742 8.4749 121.6011 60.0517 70.3983 175.1092 22 V 3.5976 8.5642 124.9395 65.9415 31.7848 178.3453 23 G 3.7542 8.3301 108.0135 48.6958 0.0000 173.6356 24 D 4.7251 7.9697 117.4225 54.5421 40.8628 177.1139 25 V 4.4316 8.0100 116.4664 60.8446 33.1852 174.9931 26 A 4.8478 7.6471 120.4576 50.6327 22.3357 175.1712 27 K 4.4769 9.0753 122.3479 55.1852 33.9610 175.4899 28 L 5.3996 8.4834 126.0229 53.0958 45.2532 175.6194 29 Q 4.6254 8.9933 122.5767 54.8711 32.8275 173.1966 30 C 5.0284 8.4880 123.9894 58.3195 34.0541 173.4959 31 K 3.8994 9.0206 127.5028 59.3964 32.2283 176.1788 32 N 4.5253 7.9343 118.8481 52.5552 37.5964 175.1505 33 K 4.1199 8.5095 126.3960 58.9694 32.8067 179.5580 34 N 4.3467 8.7275 117.2284 56.2474 38.2919 177.2566 35 I 2.9391 7.1080 119.9473 64.2513 37.0159 178.6357 36 T 3.8394 7.6300 110.0082 64.9523 68.4674 175.9361 37 N 4.2390 7.5745 118.0620 55.9783 38.6462 177.0699 38 R 4.1175 8.0857 119.0329 59.2662 30.5638 178.1001 39 L 4.2324 8.4844 120.5708 58.1152 42.3252 178.6923 40 K 4.2911 8.9801 120.1937 57.7066 32.9837 176.0590 41 S 4.6630 7.2082 113.2166 56.2983 61.8367 172.7759 *43 K 4.0857 7.7040 126.8273 57.0915 33.4312 174.1297 44 L 4.6302 8.1655 125.0002 56.2010 44.2827 175.7779 45 L 4.4467 7.1965 117.4081 54.6643 45.4773 172.7087 46 E 4.9904 8.2374 118.5797 55.8974 33.1976 175.6923 47 D 4.0706 8.1264 123.0931 52.1838 39.9118 176.2829 48 T 4.3482 8.2164 113.4405 61.5936 69.3991 174.0733 49 T 4.2927 7.0201 116.2046 65.0179 71.4442 175.0686 *53 K 4.1931 7.4659 122.1766 56.2612 33.1141 173.9934 54 R 4.8641 8.3711 113.4184 55.3111 31.6392 175.3966 55 Y 4.7798 8.8643 120.1404 56.4764 41.7058 173.9737 56 I 5.1544 8.3988 118.8167 59.9886 41.2451 174.2559 57 V 4.5306 9.2870 128.7016 61.1693 34.6476 174.0316 58 S 5.2032 8.4692 121.3545 55.8517 64.9074 175.6338 59 I 4.2204 8.0294 128.1356 60.4367 37.3000 177.8920 *61 K 4.2573 8.2056 121.3799 56.3499 33.9851 177.4486 62 I 3.8691 7.3024 117.8287 64.4568 37.3611 177.4855 63 I 3.8372 8.4630 121.5601 64.5060 37.2131 178.5604 64 E 4.1693 7.7676 116.5640 56.7004 28.9183 178.0714 *66 A 4.3414 8.0875 122.2379 51.8364 20.4286 179.6496 67 D 4.4535 8.3513 114.8292 56.9998 40.9639 177.4099 68 Q 4.2781 7.9588 116.1634 56.4154 29.0021 175.7106 69 T 4.1289 7.1951 105.8286 62.9110 70.6572 175.0028 70 F 4.6223 7.1554 121.4796 56.0246 39.9163 174.3917 71 Q 4.6080 8.2737 122.3189 54.2462 32.3132 173.8850 72 N 4.0561 8.3977 115.5919 54.8494 37.2986 173.6510 73 V 4.6979 7.6016 115.8893 61.2322 34.1981 174.5667 74 D 4.7657 9.2159 129.0127 53.3916 42.2986 175.6386 75 I 4.6349 8.2594 124.2428 59.8555 39.2352 174.9676 76 Q 4.4033 9.2123 127.7828 54.2389 31.4947 173.5565 77 N 5.0119 8.8377 126.2117 53.2728 39.1640 174.2251 78 I 4.2182 9.4802 127.9625 61.8016 38.9558 176.8601 79 G 4.1172 7.8304 113.1311 44.8894 0.0000 173.1154 80 E 4.2176 8.7147 124.1448 56.8880 30.2900 176.5047 81 T 4.6254 8.3250 108.4621 61.7949 70.6908 173.5095 82 E 5.2117 7.9594 121.0591 55.2177 33.7817 174.0653 83 C 5.0334 9.4061 123.7839 57.6148 35.8401 172.8038 84 V 5.0546 8.2934 124.7343 60.6571 33.0725 174.5647 85 V 4.3898 8.3236 129.2079 61.8183 32.9669 174.1493 86 E 5.0279 8.9285 128.5153 54.6041 31.6625 176.0114 87 F 4.9532 9.1303 123.2915 57.4000 40.5746 174.5035 88 K 4.8392 9.3976 121.2850 56.0601 36.1390 174.4443 89 T 4.9701 8.1810 112.6582 59.0794 72.0561 172.0793 90 P 4.4251 0.0000 0.0000 63.0984 31.5205 176.1892 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 0 A 8.25 4.12 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 *2 S 8.22 4.31 0.00 3.97 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 3 D 8.69 4.85 0.00 2.53 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 4 T 8.41 4.76 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 0.63 0.00 0.00 5 L 8.44 4.73 0.00 1.64 1.40 0.96 0.62 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 6 Y 9.01 5.02 0.00 2.90 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 7 I 8.84 4.96 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.03 0.94 0.00 0.00 8 K 9.10 4.91 0.00 1.77 1.62 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.39 7.81 *10 D 8.49 4.59 0.00 2.62 2.62 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 11 Q 8.67 4.22 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 12 A 7.78 5.27 1.16 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 0.00 0.00 13 V 8.97 4.54 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 0.81 0.00 0.00 0.88 0.00 0.00 14 E 8.71 5.17 0.00 1.81 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 2.28 2.23 0.00 15 I 8.75 4.70 1.76 0.00 0.00 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 1.27 1.44 0.54 0.00 0.00 16 T 8.39 5.59 4.48 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 1.25 0.00 0.00 17 K 7.64 4.76 0.00 1.72 1.72 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.44 7.81 18 K 8.23 4.54 0.00 1.77 1.85 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.51 7.81 19 Q 7.67 4.74 0.00 1.98 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 20 V 8.22 4.38 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 0.87 0.00 0.00 0.92 0.00 0.00 21 T 8.47 4.57 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 1.43 0.00 0.00 22 V 8.56 3.60 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 1.04 0.00 0.00 0.95 0.00 0.00 23 G 8.33 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 0.00 0.00 0.00 24 D 7.97 4.73 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 25 V 8.01 4.43 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 0.77 0.00 0.00 0.91 0.00 0.00 26 A 7.65 4.85 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.08 4.48 0.00 1.99 1.69 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.46 7.81 28 L 8.48 5.40 0.00 1.54 1.53 0.96 0.88 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 29 Q 8.99 4.63 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.69 0.00 0.00 0.00 0.00 0.00 2.17 2.39 0.00 30 C 8.49 5.03 0.00 2.96 2.69 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 0.00 0.00 0.00 31 K 9.02 3.90 0.00 1.78 1.83 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 32 N 7.93 4.53 0.00 2.79 2.65 0.00 0.00 7.20 6.75 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 33 K 8.51 4.12 0.00 1.81 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.41 7.81 34 N 8.73 4.35 0.00 2.80 2.86 0.00 0.00 6.83 6.85 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 35 I 7.11 2.94 1.49 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.26 0.06 0.00 0.00 36 T 7.63 3.84 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 1.19 0.00 0.00 37 N 7.57 4.24 0.00 2.98 2.96 0.00 0.00 7.05 7.33 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 38 R 8.09 4.12 0.00 2.16 2.44 0.00 3.31 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 39 L 8.48 4.23 0.00 2.28 1.84 1.00 0.67 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 40 K 8.98 4.29 0.00 1.84 2.09 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.47 7.81 41 S 7.21 4.66 0.00 4.07 3.88 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 *43 K 7.70 4.09 0.00 1.76 1.78 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.43 7.81 44 L 8.17 4.63 0.00 1.62 1.75 0.93 0.93 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 45 L 7.20 4.45 0.00 1.77 1.47 0.96 1.01 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 46 E 8.24 4.99 0.00 1.76 1.66 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 2.27 2.20 0.00 47 D 8.13 4.07 0.00 2.43 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 48 T 8.22 4.35 4.20 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 1.13 0.00 0.00 49 T 7.02 4.29 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 1.24 0.00 0.00 *53 K 7.47 4.19 0.00 1.65 1.55 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.34 7.81 54 R 8.37 4.86 0.00 1.89 1.95 0.00 3.05 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 55 Y 8.86 4.78 0.00 3.16 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 56 I 8.40 5.15 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 1.27 0.93 0.97 0.00 0.00 57 V 9.29 4.53 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 0.98 0.00 0.00 0.96 0.00 0.00 58 S 8.47 5.20 0.00 3.96 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 59 I 8.03 4.22 1.88 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 1.20 0.57 0.97 0.00 0.00 *61 K 8.21 4.26 0.00 1.87 2.01 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.48 7.81 62 I 7.30 3.87 2.02 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 1.31 0.66 0.94 0.00 0.00 63 I 8.46 3.84 1.88 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 1.19 0.83 0.92 0.00 0.00 64 E 7.77 4.17 0.00 2.05 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 2.30 2.26 0.00 *66 A 8.09 4.34 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 67 D 8.35 4.45 0.00 2.90 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 68 Q 7.96 4.28 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 69 T 7.20 4.13 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 0.88 0.00 0.00 70 F 7.16 4.62 0.00 3.09 2.95 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 71 Q 8.27 4.61 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 72 N 8.40 4.06 0.00 2.93 2.74 0.00 0.00 6.27 7.71 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 73 V 7.60 4.70 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 0.87 0.00 0.00 0.92 0.00 0.00 74 D 9.22 4.77 0.00 2.53 2.49 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 0.00 0.00 0.00 0.00 75 I 8.26 4.63 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.52 0.89 0.00 0.00 76 Q 9.21 4.40 0.00 1.67 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 77 N 8.84 5.01 0.00 2.78 2.72 0.00 0.00 7.14 7.94 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 78 I 9.48 4.22 2.08 0.00 0.00 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 1.20 0.69 0.93 0.00 0.00 79 G 7.83 4.12 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 0.00 0.00 0.00 80 E 8.71 4.22 0.00 1.98 2.03 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 2.32 2.33 0.00 81 T 8.32 4.63 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 82 E 7.96 5.21 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 2.22 2.25 0.00 83 C 9.41 5.03 0.00 3.05 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 84 V 8.29 5.05 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 1.37 0.00 0.00 0.94 0.00 0.00 85 V 8.32 4.39 2.01 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 0.18 0.00 0.00 0.85 0.00 0.00 86 E 8.93 5.03 0.00 1.87 1.85 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 2.27 2.25 0.00 87 F 9.13 4.95 0.00 2.96 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 88 K 9.40 4.84 0.00 1.75 1.63 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.56 7.81 89 T 8.18 4.97 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 1.26 0.00 0.00 90 P 0.00 4.43 0.00 2.21 2.08 0.00 3.81 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 1.99 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.