NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.2951 8.1749 115.2433 61.1528 69.0895 173.7551 7 L 3.9498 7.6877 120.3892 52.3604 42.1598 174.3057 8 P 4.3686 0.0000 0.0000 62.3833 32.4909 176.0394 9 I 3.9463 8.2267 125.1075 60.9414 37.7747 175.6633 10 S 4.6108 8.2901 117.7476 56.3136 65.8088 173.1187 11 L 4.3588 8.1335 122.4687 52.8203 43.5829 175.9883 12 D 4.6423 8.3082 122.7776 51.8681 41.2633 174.5403 13 W 5.2091 8.0242 124.0086 54.1970 32.4179 176.5315 14 S 4.5751 8.9505 116.3485 57.8749 64.9344 175.6063 15 T 3.9157 8.4008 118.4086 67.1529 68.1768 176.7102 16 E 4.0419 8.1660 119.6920 59.3721 29.5136 179.1559 17 E 3.8401 8.0407 118.4121 59.0156 29.3794 179.4066 18 V 3.8682 7.9704 118.4333 66.3364 31.5803 178.2516 19 I 3.7092 7.6781 118.9444 64.3816 36.9719 178.1777 20 D 4.3277 8.1350 119.9777 57.3179 40.6546 179.0121 21 V 3.7479 7.8517 118.8533 65.7718 31.5371 178.2192 22 V 3.8318 8.0983 118.2723 66.6192 31.4137 177.8120 23 H 4.5341 8.5820 116.1103 58.6436 28.4412 177.6886 24 F 4.0461 8.1117 122.3334 61.4547 39.3172 177.3385 25 F 3.6187 7.9242 117.1584 60.3636 38.4810 177.7659 26 Q 4.0728 8.3201 117.5956 58.6529 28.5290 178.5608 27 A 3.9019 7.7521 122.1484 55.0114 18.1394 179.7551 28 I 3.4968 6.9891 117.4313 64.4828 37.4158 178.1810 29 E 4.2029 8.1991 119.4572 59.5032 29.3159 179.1526 30 Q 3.9849 8.4381 119.5967 59.1493 29.0419 178.2290 31 A 3.9199 8.0079 121.5181 54.8286 18.1410 178.3144 32 Y 4.2356 7.8460 112.8590 56.7319 38.5867 175.5689 33 D 4.4634 8.2797 118.6772 54.8151 39.9044 176.5638 34 Q 4.1633 5.7400 115.1856 56.1443 29.9127 177.2215 35 G 3.8985 9.3383 104.5006 45.6612 0.0000 172.4154 36 I 4.4433 8.0443 117.0011 57.8723 41.4350 173.9057 37 A 4.4555 8.3677 127.4205 51.6923 19.8234 178.4557 38 R 3.7805 9.1437 125.5998 59.7898 30.1821 178.6773 39 E 3.9223 8.6364 118.8538 59.2196 29.5915 178.3435 40 D 4.2946 7.9780 117.7087 57.0625 41.4389 177.6858 41 L 3.9294 7.9580 120.8389 58.3853 42.0555 179.1020 42 L 4.2907 8.2644 119.0020 57.5828 41.6155 179.7542 43 G 3.6220 8.2385 106.0252 47.7683 0.0000 175.9906 44 K 4.1777 8.2920 120.8644 59.1568 32.0598 178.9381 45 Y 4.0825 8.3593 120.1842 60.5670 38.4971 177.9307 46 R 3.6955 8.1514 118.5658 59.2518 30.5460 178.7095 47 R 3.9051 7.8450 118.0301 59.1585 30.0670 178.1688 48 F 3.6871 7.9694 120.5043 61.2271 39.1494 177.2338 49 K 4.2350 7.8365 117.2903 58.6697 31.5169 179.2063 50 E 3.9497 7.4733 118.6934 59.0654 29.4040 178.6679 51 I 3.7834 7.1362 118.4048 62.0718 38.4356 176.3451 52 V 4.2627 7.3524 119.1516 60.1701 30.8561 174.0252 53 P 4.4078 0.0000 0.0000 64.5915 32.2643 178.8566 54 S 4.2062 7.4113 113.6048 58.0935 63.6697 175.1628 55 K 4.0160 8.7006 127.9146 59.3550 32.0873 179.0489 56 S 4.1118 7.9653 114.3693 61.4669 63.0004 176.2515 57 E 3.9862 8.0791 121.8529 58.8624 29.2896 178.6243 58 E 3.9161 8.1880 119.3860 59.1709 29.6969 178.6990 59 K 3.8389 8.1438 119.7759 59.8455 32.1634 178.7774 60 Q 4.1406 8.2012 118.1681 58.7853 28.6094 178.6463 61 L 4.2663 8.3739 120.4105 57.8109 41.6540 179.4533 62 F 4.8945 8.6574 117.9329 60.8143 39.0200 177.6547 63 R 3.9877 8.4096 118.1380 59.4651 29.6941 178.3431 64 A 4.0429 8.2480 119.6643 55.4056 18.6109 178.7280 65 Y 3.8922 8.2956 117.9901 60.7928 39.0727 177.7309 66 E 4.4201 8.6409 120.4659 58.1871 29.3210 178.8840 67 Q 4.1166 7.8763 119.0441 58.0055 29.1615 176.1551 68 E 4.5465 7.5926 115.7027 55.6394 31.0842 175.3647 69 N 4.7238 7.3338 116.0484 51.3528 42.4367 174.5390 70 D 4.7320 8.3409 123.9933 53.1933 39.3645 174.3913 71 V 3.6856 6.8602 113.8509 58.6517 36.6056 175.3828 72 S 4.6715 8.7063 114.1155 56.2218 64.6198 174.0672 73 C 3.8705 9.0959 128.6378 62.7413 27.6884 175.4584 74 Y 4.1818 7.8980 120.5320 61.0319 38.5245 178.0356 75 Q 3.6232 8.0913 118.8142 59.1006 28.7837 179.2163 76 T 3.7194 7.7219 116.5132 66.7526 68.5061 177.0458 77 I 3.5658 7.5793 121.7003 63.8077 36.8951 178.4306 78 K 3.6993 7.9151 120.8282 59.3247 31.9283 178.6844 79 K 3.7572 7.8690 119.5635 59.3631 31.8327 178.5080 80 A 3.8936 7.6745 119.7555 55.2369 18.4070 179.5442 81 R 3.9963 7.9813 115.5578 59.5302 30.2420 178.8718 82 E 4.1371 8.2065 117.2438 60.4907 30.1052 176.9032 83 E 4.3794 8.2801 120.2301 55.1449 31.2263 174.7808 *85 E 4.0938 8.4726 118.1722 56.9995 30.8700 175.5164 86 E 4.0478 8.6896 123.3382 58.9483 31.1671 175.4189 87 H 4.7925 8.1623 119.6899 55.0558 30.8660 174.4120 88 I 4.3762 8.4029 127.5709 59.4923 39.3569 176.0379 89 Q 4.5225 8.1872 126.2707 55.2610 29.2564 174.2360 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 6 T 8.17 4.30 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 7 L 7.69 3.95 0.00 1.75 1.57 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.37 0.00 2.16 2.07 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 9 I 8.23 3.95 1.86 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 1.47 0.70 0.88 0.00 0.00 10 S 8.29 4.61 0.00 3.82 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 11 L 8.13 4.36 0.00 0.71 0.13 0.54 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.31 4.64 0.00 2.51 2.54 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 13 W 8.02 5.21 0.00 3.42 2.84 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 14 S 8.95 4.58 0.00 4.08 4.04 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 15 T 8.40 3.92 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 1.24 0.00 0.00 16 E 8.17 4.04 0.00 2.00 1.99 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 2.41 2.41 0.00 17 E 8.04 3.84 0.00 2.24 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 18 V 7.97 3.87 2.38 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 1.28 0.00 0.00 1.24 0.00 0.00 19 I 7.68 3.71 1.97 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 1.75 0.83 0.75 0.00 0.00 20 D 8.14 4.33 0.00 2.73 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 21 V 7.85 3.75 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 1.51 0.00 0.00 0.18 0.00 0.00 22 V 8.10 3.83 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 1.14 0.00 0.00 1.10 0.00 0.00 23 H 8.58 4.53 0.00 3.40 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.11 4.05 0.00 3.13 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 25 F 7.92 3.62 0.00 3.08 2.31 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 26 Q 8.32 4.07 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 27 A 7.75 3.90 1.23 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 28 I 6.99 3.50 1.74 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 0.58 0.05 0.90 0.00 0.00 29 E 8.20 4.20 0.00 2.21 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 0.00 2.62 2.61 0.00 30 Q 8.44 3.98 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 31 A 8.01 3.92 1.23 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 32 Y 7.85 4.24 0.00 3.12 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 33 D 8.28 4.46 0.00 2.67 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 0.00 0.00 0.00 0.00 34 Q 5.74 4.16 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.16 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 35 G 9.34 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 36 I 8.04 4.44 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.48 0.80 0.00 0.00 37 A 8.37 4.46 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 38 R 9.14 3.78 0.00 1.89 2.26 0.00 3.24 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 1.62 1.62 0.00 39 E 8.64 3.92 0.00 2.15 1.93 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 2.31 2.32 0.00 40 D 7.98 4.29 0.00 2.82 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 41 L 7.96 3.93 0.00 1.75 1.79 0.78 0.40 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 42 L 8.26 4.29 0.00 1.77 1.78 0.93 0.76 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 G 8.24 3.62 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 0.00 0.00 0.00 44 K 8.29 4.18 0.00 2.09 2.06 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.56 7.81 45 Y 8.36 4.08 0.00 3.26 3.20 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 46 R 8.15 3.70 0.00 1.96 1.93 0.00 3.38 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 47 R 7.85 3.91 0.00 1.92 2.05 0.00 3.17 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 48 F 7.97 3.69 0.00 2.70 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 49 K 7.84 4.24 0.00 1.61 1.61 0.00 1.74 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.60 1.09 7.81 50 E 7.47 3.95 0.00 2.01 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 2.39 2.39 0.00 51 I 7.14 3.78 1.24 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.28 -0.27 0.00 0.00 52 V 7.35 4.26 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 1.01 0.00 0.00 0.24 0.00 0.00 53 P 0.00 4.41 0.00 2.16 2.08 0.00 3.41 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.88 0.00 54 S 7.41 4.21 0.00 3.92 3.83 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 55 K 8.70 4.02 0.00 1.83 1.80 0.00 1.75 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 56 S 7.97 4.11 0.00 4.09 4.10 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 57 E 8.08 3.99 0.00 2.17 2.09 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 2.41 2.37 0.00 58 E 8.19 3.92 0.00 2.05 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 1.51 1.72 0.00 59 K 8.14 3.84 0.00 1.95 1.97 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.53 7.81 60 Q 8.20 4.14 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 61 L 8.37 4.27 0.00 2.23 2.40 1.36 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.66 4.89 0.00 3.32 3.35 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 63 R 8.41 3.99 0.00 2.13 2.21 0.00 3.15 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 64 A 8.25 4.04 1.47 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 0.00 0.00 65 Y 8.30 3.89 0.00 2.61 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 66 E 8.64 4.42 0.00 2.19 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 0.00 2.61 2.45 0.00 67 Q 7.88 4.12 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 68 E 7.59 4.55 0.00 1.69 1.76 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 2.14 2.13 0.00 69 N 7.33 4.72 0.00 2.13 2.47 0.00 0.00 6.60 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 70 D 8.34 4.73 0.00 2.53 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 71 V 6.86 3.69 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 0.25 0.00 0.00 1.04 0.00 0.00 72 S 8.71 4.67 0.00 3.93 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 73 C 9.10 3.87 0.00 1.92 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 74 Y 7.90 4.18 0.00 3.14 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 75 Q 8.09 3.62 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 76 T 7.72 3.72 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 1.05 0.00 0.00 77 I 7.58 3.57 1.57 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 1.37 0.41 0.32 0.00 0.00 78 K 7.92 3.70 0.00 1.29 1.54 0.00 0.98 0.00 0.00 1.18 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.25 1.35 7.81 79 K 7.87 3.76 0.00 1.87 1.80 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.40 7.81 80 A 7.67 3.89 1.30 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 0.00 0.00 81 R 7.98 4.00 0.00 1.93 1.99 0.00 3.14 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 82 E 8.21 4.14 0.00 1.98 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 2.32 2.31 0.00 83 E 8.28 4.38 0.00 1.99 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 2.29 0.00 *85 E 8.47 4.09 0.00 2.09 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 2.14 2.27 0.00 86 E 8.69 4.05 0.00 2.11 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 2.37 2.36 0.00 87 H 8.16 4.79 0.00 3.19 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.40 4.38 1.85 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 1.02 0.47 0.75 0.00 0.00 89 Q 8.19 4.52 0.00 1.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.65 0.00 0.00 0.00 0.00 0.00 2.17 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.