NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 Y 4.6126 8.1293 119.1675 56.0530 38.6608 174.3788 7 S 4.1997 8.5829 115.3767 58.6860 63.3266 172.4554 8 L 4.6674 7.9728 121.1058 52.1017 45.9944 176.1243 9 P 4.4234 0.0000 0.0000 62.5798 32.3955 175.5749 10 N 4.7372 9.1626 117.6991 51.3979 40.2022 174.7471 11 A 4.2221 8.2444 123.7100 53.8414 18.7778 178.1625 12 G 4.0271 9.1263 112.4165 44.9907 0.0000 173.7961 13 D 4.4579 8.0633 120.6444 54.4880 42.0295 175.5953 14 V 4.8248 8.4004 123.2665 61.3821 32.8376 174.5282 15 I 4.8183 8.6070 120.7771 59.1813 41.7678 174.2956 16 K 5.3966 7.6505 120.8656 54.6141 34.8871 175.7067 17 G 3.3001 7.4628 107.7721 45.7598 0.0000 171.6077 18 R 5.1843 8.1472 120.4572 54.3652 32.1487 175.5131 19 V 4.4886 8.6895 127.1456 63.2131 33.0175 174.2509 20 Y 5.1757 8.6779 123.8297 55.8020 41.8783 172.8652 21 E 5.0999 8.8117 120.9970 54.6376 31.7681 175.3052 22 K 4.4055 9.3563 127.3482 56.3839 35.7106 175.5132 23 D 4.7686 9.6546 127.1363 56.6823 38.0160 172.6975 24 Y 3.6117 7.9871 107.0908 58.4394 36.3839 170.8338 25 A 4.7812 7.9441 119.5787 50.7150 22.7138 175.6833 26 L 5.0107 8.6565 120.0508 53.7776 43.7157 175.8109 27 Y 4.8061 8.7350 120.4239 55.9671 42.1781 174.0701 28 I 4.9302 8.4401 119.6343 59.9224 41.6373 174.2742 29 Y 4.8937 9.2391 127.6138 56.9163 39.0059 174.7353 30 L 4.5703 8.7099 125.9001 54.2446 42.2666 178.3541 31 F 4.5855 8.4591 124.0182 60.7785 39.0549 176.4772 32 D 4.4438 8.1070 117.9033 55.6189 41.5588 176.1568 33 Y 4.9362 7.6779 116.3186 55.2313 38.2425 174.0089 34 P 4.3468 0.0000 0.0000 65.6714 32.0895 177.2668 35 H 4.8764 8.3163 113.0121 55.5700 28.7239 174.3999 36 F 4.9329 8.0297 117.8115 55.6975 42.3351 174.4065 37 E 4.8343 9.0364 121.7827 55.4338 31.2965 175.0969 38 A 5.3909 8.9616 125.1751 50.1490 22.3504 174.4372 39 I 4.1457 8.6483 122.3898 58.8678 41.6242 175.1911 40 L 4.6068 8.5270 128.9660 53.3950 40.4650 177.1535 41 A 3.9353 8.7049 128.7349 55.1423 18.4163 179.5885 42 E 4.0823 8.0817 111.6763 58.2732 29.9716 177.8807 43 S 4.4173 7.9654 113.7629 60.0641 63.8818 175.8571 44 V 3.4518 7.4591 120.9612 65.3943 31.2051 176.2650 45 K 4.2462 7.6253 122.6829 55.0227 32.9857 175.6921 *47 H 4.5692 8.1626 124.8561 55.5479 29.4766 175.5888 *49 D 4.6215 8.6403 120.8603 54.5994 41.2031 178.3969 50 R 4.4801 7.8299 120.0172 58.1577 30.0364 178.2419 51 Y 4.0675 8.6121 120.0405 60.6460 38.7880 178.0685 52 V 3.4673 7.9052 118.6946 66.0817 31.4774 177.7108 53 E 3.9177 7.8268 116.8424 59.4175 29.3008 178.6692 54 Y 4.0741 8.0713 119.9077 60.6103 38.8218 178.3279 55 R 3.6162 7.9937 117.3990 59.4358 29.2708 178.5086 56 D 4.2553 7.8730 118.9781 56.5947 40.8215 178.4856 57 K 4.0753 7.8192 118.4204 58.8465 33.1108 178.3230 58 L 4.1924 7.4781 119.1598 54.3362 42.4922 177.0546 59 V 3.6081 7.0820 118.8164 64.5377 31.6638 176.1323 60 G 4.0713 9.1346 116.4402 45.1566 0.0000 173.6309 61 K 4.4180 7.9783 119.4846 56.1902 33.8138 176.0592 62 T 4.9104 8.5862 119.6389 62.9787 69.8304 174.5059 63 V 4.7811 8.8750 118.5544 59.9296 37.2673 173.9306 64 K 5.0968 9.0519 121.0972 55.0244 34.4234 176.4198 65 V 4.8924 8.9132 117.0782 59.4224 36.4261 174.1393 66 K 4.9507 8.8328 124.2021 54.6750 34.3573 175.4747 67 V 4.0993 8.8298 128.8489 63.0196 31.9559 176.0053 68 I 4.2878 8.6528 121.4624 61.9489 39.7451 176.2016 69 R 4.6697 7.6978 121.4979 54.4068 33.7500 173.8014 70 V 4.5629 8.4726 125.1725 61.2506 34.2005 174.4227 71 D 4.8559 9.2672 129.1170 52.4945 41.4302 175.8665 72 Y 4.6605 8.2124 122.7831 59.0270 38.9133 177.9640 73 T 4.0644 7.5129 117.2431 66.3108 68.6531 175.5420 74 K 4.2187 8.5672 118.4311 55.9409 33.0841 176.5538 75 G 3.5576 8.3121 107.4000 47.0000 0.0000 172.5576 76 Y 5.6114 7.9359 115.0738 55.9478 42.2825 175.3665 77 I 5.0813 9.2060 122.9986 59.7783 41.3715 173.9201 78 D 5.2407 9.2327 127.0709 53.0280 42.9886 176.1167 79 V 5.1037 8.7924 115.4069 59.7815 37.0434 173.9007 80 N 5.4015 8.8203 118.2134 51.3668 41.9916 173.9424 81 Y 4.4206 8.9133 124.6669 58.3466 39.7629 174.8945 82 K 4.1808 8.0403 124.0711 55.7755 34.2339 175.9640 83 R 4.2627 6.8124 119.5269 56.9961 37.3516 175.9773 *85 C 4.5384 8.8414 114.1373 59.0902 29.1613 172.9994 86 R 3.8597 8.8884 124.6770 59.4340 29.5540 176.1871 87 H 4.7355 7.8096 116.7488 53.9646 28.7598 174.7769 88 Q 4.1902 8.5993 124.7426 56.2653 28.9086 175.7265 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 Y 8.13 4.61 0.00 2.35 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 0.00 0.00 0.00 7 S 8.58 4.20 0.00 4.15 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 4.67 0.00 1.54 1.40 0.84 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.42 0.00 1.92 1.45 0.00 3.05 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.09 0.00 10 N 9.16 4.74 0.00 2.88 2.75 0.00 0.00 7.02 7.23 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 11 A 8.24 4.22 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 12 G 9.13 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 13 D 8.06 4.46 0.00 2.71 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 14 V 8.40 4.82 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 0.85 0.00 0.00 0.91 0.00 0.00 15 I 8.61 4.82 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.18 1.03 0.00 0.00 16 K 7.65 5.40 0.00 1.77 1.66 0.00 2.10 0.00 0.00 1.92 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.30 7.81 17 G 7.46 3.30 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 0.00 18 R 8.15 5.18 0.00 2.30 2.17 0.00 3.29 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 19 V 8.69 4.49 2.23 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 0.85 0.00 0.00 0.83 0.00 0.00 20 Y 8.68 5.18 0.00 3.04 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 21 E 8.81 5.10 0.00 2.01 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 2.27 2.56 0.00 22 K 9.36 4.41 0.00 1.74 1.10 0.00 1.67 0.00 0.00 0.65 0.00 0.00 2.76 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.18 1.36 7.81 23 D 9.65 4.77 0.00 2.97 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 7.99 3.61 0.00 2.96 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 25 A 7.94 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 26 L 8.66 5.01 0.00 1.62 1.49 0.77 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.74 4.81 0.00 1.43 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 0.00 0.00 0.00 0.00 28 I 8.44 4.93 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.91 0.99 0.00 0.00 29 Y 9.24 4.89 0.00 3.17 2.98 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 0.00 0.00 0.00 30 L 8.71 4.57 0.00 1.88 1.85 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.46 4.59 0.00 3.08 3.02 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 32 D 8.11 4.44 0.00 2.16 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 0.00 0.00 0.00 33 Y 7.68 4.94 0.00 3.17 2.98 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 0.00 0.00 0.00 34 P 0.00 4.35 0.00 1.88 2.09 0.00 3.75 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 2.02 2.16 0.00 35 H 8.32 4.88 0.00 3.18 3.17 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.03 4.93 0.00 2.93 3.01 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 37 E 9.04 4.83 0.00 2.18 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 2.46 2.31 0.00 38 A 8.96 5.39 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 39 I 8.65 4.15 1.42 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.67 0.85 0.00 0.00 40 L 8.53 4.61 0.00 1.90 1.70 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.70 3.94 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 42 E 8.08 4.08 0.00 2.02 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 2.37 2.25 0.00 43 S 7.97 4.42 0.00 4.40 4.29 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 0.00 0.00 0.00 44 V 7.46 3.45 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 0.70 0.00 0.00 0.85 0.00 0.00 45 K 7.63 4.25 0.00 1.71 1.69 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.32 7.81 *47 H 8.16 4.57 0.00 3.26 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *49 D 8.64 4.62 0.00 2.88 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 50 R 7.83 4.48 0.00 2.03 1.99 0.00 3.36 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 51 Y 8.61 4.07 0.00 3.10 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 52 V 7.91 3.47 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 1.06 0.00 0.00 1.02 0.00 0.00 53 E 7.83 3.92 0.00 2.26 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 2.33 2.59 0.00 54 Y 8.07 4.07 0.00 3.05 2.87 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 55 R 7.99 3.62 0.00 1.74 1.41 0.00 2.68 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00 56 D 7.87 4.26 0.00 2.78 2.72 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 57 K 7.82 4.08 0.00 1.83 1.92 0.00 1.49 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.43 1.10 7.81 58 L 7.48 4.19 0.00 1.29 1.30 -0.73 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.08 3.61 2.02 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 0.75 0.00 0.00 0.89 0.00 0.00 60 G 9.13 4.07 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 0.00 0.00 0.00 61 K 7.98 4.42 0.00 1.73 1.73 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.64 7.81 62 T 8.59 4.91 4.37 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 1.41 0.00 0.00 63 V 8.88 4.78 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 0.83 0.00 0.00 1.00 0.00 0.00 64 K 9.05 5.10 0.00 1.60 1.66 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.39 7.81 65 V 8.91 4.89 2.18 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 0.85 0.00 0.00 0.93 0.00 0.00 66 K 8.83 4.95 0.00 1.75 1.63 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.33 7.81 67 V 8.83 4.10 2.17 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 0.82 0.00 0.00 0.85 0.00 0.00 68 I 8.65 4.29 1.86 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 1.28 0.77 0.90 0.00 0.00 69 R 7.70 4.67 0.00 1.85 1.87 0.00 3.10 0.00 0.00 3.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 70 V 8.47 4.56 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 0.83 0.00 0.00 0.88 0.00 0.00 71 D 9.27 4.86 0.00 2.76 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 72 Y 8.21 4.66 0.00 3.27 3.23 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 73 T 7.51 4.06 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 1.19 0.00 0.00 74 K 8.57 4.22 0.00 1.98 2.19 0.00 1.89 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.42 7.81 75 G 8.31 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.94 5.61 0.00 2.97 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 77 I 9.21 5.08 1.94 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.84 0.90 0.00 0.00 78 D 9.23 5.24 0.00 2.55 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 79 V 8.79 5.10 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 0.78 0.00 0.00 0.99 0.00 0.00 80 N 8.82 5.40 0.00 2.60 2.70 0.00 0.00 7.07 7.09 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 81 Y 8.91 4.42 0.00 3.04 2.98 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 0.00 0.00 0.00 82 K 8.04 4.18 0.00 1.62 1.59 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.40 7.81 83 R 6.81 4.26 0.00 1.77 1.15 0.00 3.12 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 *85 C 8.84 4.54 0.00 3.08 3.01 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 86 R 8.89 3.86 0.00 1.70 1.83 0.00 2.99 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.59 0.00 87 H 7.81 4.74 0.00 3.23 3.26 0.00 5.76 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.60 4.19 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.