NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.5585 8.4444 117.3866 54.2471 29.3051 171.6610 *3 D 4.2387 8.5363 116.2728 56.2752 41.9357 175.8776 4 F 4.8408 8.3684 123.1958 57.3484 39.8035 177.1075 5 D 4.3532 8.7050 124.3204 56.9810 40.6571 178.5805 6 F 4.3390 8.1501 112.9543 58.9694 38.1662 176.2544 7 L 3.6140 7.0901 121.5259 56.4118 41.6502 176.6869 8 E 3.9433 7.5315 120.5523 57.4484 29.7239 176.6704 9 G 4.0062 8.5944 115.0434 45.0152 0.0000 174.0319 10 K 4.2253 7.6810 119.4574 56.7098 33.0388 176.4666 11 R 5.2439 8.3457 121.2052 54.8470 34.5096 174.3632 12 L 4.6134 8.8215 121.7772 54.4945 46.0765 174.0512 13 T 5.2648 8.5963 121.7095 61.8984 72.0149 173.1106 14 E 4.7847 9.1152 124.0770 54.6083 33.9993 174.4959 15 D 5.0448 8.7576 123.5608 53.9947 42.0338 175.9450 16 V 4.4744 8.8601 122.9375 60.9178 34.8611 173.9911 17 A 4.6637 8.6508 129.6767 51.3555 19.7530 176.8910 18 L 4.3774 9.0122 124.4532 53.8340 42.2727 176.7757 19 D 4.8005 8.3175 124.4383 51.6976 41.3588 176.1786 20 E 4.1333 8.5370 118.9161 58.7114 29.8536 178.1999 21 T 4.1279 8.9441 112.4016 61.1260 67.8487 174.7107 *23 V 4.0332 7.5559 119.7879 62.1496 32.6604 174.6971 24 W 4.5202 9.3867 133.4363 57.4624 30.5674 175.3965 25 N 4.7239 8.4648 120.9446 52.1017 37.9883 174.7880 26 E 3.8783 7.9579 119.6282 59.1443 29.6376 176.6076 27 D 4.5875 6.6488 117.8238 52.1530 42.0076 175.8582 28 I 3.7660 8.2101 128.2684 64.4986 37.3342 177.8259 29 E 4.1681 7.6063 120.0119 56.3316 28.8764 178.0711 *31 L 4.2666 8.0543 120.6059 54.7645 43.6854 179.1276 32 D 4.4972 7.9590 116.2676 55.4821 39.6574 177.3883 33 L 4.0851 7.9843 119.2527 55.8540 42.3099 176.1666 *34 H 4.0612 8.0972 114.2605 56.1899 27.9892 174.5591 35 L 4.7383 7.7830 118.0762 55.7500 43.1877 177.7571 36 V 4.2490 8.7445 123.1923 61.3396 32.4627 175.9721 37 A 4.2627 8.6593 125.9014 52.1115 19.5206 178.5044 38 T 3.7245 8.6957 118.2687 66.8293 68.6751 177.4105 39 S 4.0647 8.0797 115.4044 61.2582 62.9676 176.2354 40 A 3.9220 7.8949 123.8569 54.9916 18.1614 179.3812 41 L 3.8786 7.8417 117.5135 57.9197 41.6520 179.7409 42 I 3.5077 7.8490 119.9154 64.1747 36.9448 178.5145 43 G 3.5573 7.8462 106.4433 47.8304 0.0000 175.8215 44 V 3.5121 7.5843 120.8731 65.5512 31.2382 178.1643 45 V 3.5066 7.8036 118.1566 66.3549 31.3863 177.6401 46 H 3.9011 8.1824 116.1512 58.9996 28.5338 178.1097 47 R 4.0136 8.1660 119.7996 59.0633 29.7943 179.3142 48 V 3.6977 7.6959 118.3959 65.7635 31.4979 178.2417 49 S 3.9103 7.8077 114.0105 61.2691 62.6533 175.9796 50 Y 3.8387 7.8846 122.6607 60.4721 38.3998 177.3386 51 E 3.9936 8.1339 118.9912 59.2458 29.7082 178.2967 52 L 4.2024 7.7792 119.5167 58.2945 42.5528 178.7180 53 L 4.3571 8.0805 119.1894 57.5173 41.4368 179.3372 54 S 3.8777 7.9259 114.4323 61.5412 62.4468 176.5684 55 R 3.7256 7.8258 120.0504 58.9281 29.8431 177.3747 56 Y 4.6418 7.9238 112.8777 56.9651 38.9799 176.1814 57 L 4.2822 7.2015 121.1274 53.7540 42.5849 175.4211 58 P 4.5253 0.0000 0.0000 62.4615 32.0814 177.2763 59 N 4.3977 8.9501 117.9035 56.4190 38.6919 176.2936 60 D 5.0348 8.2944 116.3228 54.3620 41.5290 174.9034 61 Y 5.1502 7.9959 116.0185 56.6907 41.0454 174.8842 62 T 4.9954 9.1403 116.1561 60.4315 71.7528 171.9179 63 A 5.1717 8.7522 122.8934 50.6839 21.7996 176.1140 64 V 4.5386 8.7304 115.9726 59.3228 35.4141 175.5621 65 V 4.2682 8.4576 124.4172 63.3288 31.4230 175.8748 66 V 4.4610 8.8642 120.2361 61.5848 34.2343 175.5514 67 E 4.8180 8.0140 120.0538 55.1734 33.2403 173.7815 68 T 5.1071 8.4122 119.6395 60.8914 70.8482 172.4714 69 L 4.9786 9.3842 128.4603 52.9566 44.8876 175.4420 70 A 5.1886 8.6208 123.9457 50.3451 22.9151 175.0871 71 R 4.4967 9.2649 119.2407 54.6410 33.2761 174.4677 72 H 5.0728 8.9471 124.4686 55.0103 29.9795 173.6732 73 V 4.1292 8.6353 119.9099 62.0870 32.7128 176.9334 74 K 4.5005 7.8315 119.1227 53.9935 35.2393 175.3926 75 A 4.1969 8.4165 128.2719 52.0548 19.3123 177.1993 76 V 4.6490 8.0021 120.2035 59.3510 34.7289 173.2516 77 P 5.1202 0.0000 0.0000 62.2014 32.5847 175.8956 78 T 3.9860 8.8312 112.0432 62.5808 69.5735 174.4831 79 G 3.8916 9.3966 110.5690 46.1131 0.0000 173.1506 80 T 4.6425 7.5038 115.7807 61.5445 71.0186 173.8526 81 R 4.7772 8.5415 124.8221 55.8456 31.1848 176.2515 82 V 4.5691 8.8579 116.4597 59.3605 35.3817 174.6451 83 A 4.7128 8.4849 125.2755 51.1623 20.2453 176.4224 84 V 4.4677 8.9086 124.3866 61.7724 33.2156 174.6934 85 G 4.5103 8.9311 116.0527 44.5846 0.0000 172.0224 86 V 5.4092 9.0283 116.9227 59.4715 36.1796 174.8640 87 R 5.0921 9.0452 119.2372 54.5139 33.5695 174.3527 88 V 3.7024 8.8169 122.3434 62.8069 31.7397 176.5399 89 V 4.0718 8.1187 121.7035 61.8653 32.7752 176.3512 90 G 4.0293 7.1697 105.1792 45.4247 0.0000 172.6150 91 V 4.8586 8.3415 120.8681 60.8778 34.9240 175.2446 92 V 4.2253 8.5999 126.8545 61.6144 34.1138 175.7523 93 G 3.7852 8.2825 119.4113 47.2327 0.0000 172.7715 94 N 4.8235 8.9168 122.8659 52.3697 37.5431 173.5495 95 R 4.9625 8.1145 119.4311 54.8388 32.5442 175.1105 96 V 4.3867 8.8166 124.7324 60.8332 34.0266 174.0361 97 K 4.6581 8.7435 130.5010 55.3892 33.4731 175.3405 98 F 5.0553 9.1018 126.4746 55.8079 41.9449 174.7619 99 R 5.0909 8.7351 120.2478 54.5713 32.9485 175.5147 100 G 4.6980 9.3730 109.3902 44.7275 0.0000 171.2638 101 I 5.2576 8.9218 121.4482 59.2576 42.1531 173.9781 102 V 4.9545 8.7029 127.4119 60.1357 35.6318 174.5152 *104 S 4.3629 8.4832 115.7793 58.4391 63.3383 175.8975 105 G 3.8365 8.6456 122.2659 47.4922 0.0000 173.0505 106 D 4.7014 9.1992 121.2153 52.7341 40.5226 176.7890 107 E 4.5553 7.8782 119.2859 55.2919 30.6273 175.8954 108 K 4.1150 8.6022 125.7203 56.6832 33.2498 175.7450 109 I 4.2914 8.9534 127.5020 62.8449 38.8789 175.4856 110 L 5.2443 7.6009 122.6130 53.5190 45.6938 173.8669 111 E 5.3865 9.1422 122.6805 54.7855 33.1951 174.4520 112 A 5.2125 8.8985 121.3650 50.7528 23.5691 174.9153 113 E 5.1840 9.7635 121.0751 54.5920 32.7780 174.4836 114 F 5.5124 9.0923 121.3235 55.5153 42.3116 173.3271 115 V 4.9095 9.2414 119.6507 61.3318 34.3990 174.3706 116 R 5.2441 9.1117 126.3525 54.5565 33.1179 174.7860 117 A 5.0859 9.0749 124.8653 50.3925 21.2848 175.8883 118 I 4.6066 8.5169 125.1815 60.6108 37.8604 175.8442 119 V 4.5893 8.8675 126.7058 60.2273 35.7171 172.9747 120 P 3.9751 0.0000 0.0000 62.0674 32.1130 177.6513 121 R 3.8730 8.6833 122.3972 59.4283 29.9896 178.8527 122 E 3.8716 8.1394 118.4383 59.3231 29.4861 178.6935 123 K 3.8774 7.7877 118.8631 59.5104 32.3310 178.3442 124 L 3.9489 7.8288 120.4129 57.9629 41.9331 179.2000 125 R 3.8660 8.1473 118.1525 59.2617 30.0487 178.9114 126 R 3.9006 7.9703 117.7208 59.4920 29.9037 178.7808 127 L 3.9460 7.7955 116.6630 58.0798 41.8462 179.4202 128 A 4.1523 7.9527 118.6726 53.9182 18.3697 178.8272 129 L 4.3498 7.7570 119.4914 57.4350 42.5181 177.1110 130 E 4.1862 8.1863 118.1132 56.1340 29.7195 178.5687 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 H 8.44 4.56 0.00 2.95 2.90 0.00 7.20 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 *3 D 8.54 4.24 0.00 2.55 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.37 4.84 0.00 2.97 2.63 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 0.00 0.00 0.00 5 D 8.71 4.35 0.00 2.78 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 6 F 8.15 4.34 0.00 3.06 3.14 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 7 L 7.09 3.61 0.00 1.36 1.34 0.57 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.53 3.94 0.00 2.04 1.77 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 2.21 2.11 0.00 9 G 8.59 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 10 K 7.68 4.23 0.00 1.74 1.71 0.00 1.05 0.00 0.00 1.21 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.38 7.81 11 R 8.35 5.24 0.00 1.66 1.81 0.00 3.25 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 12 L 8.82 4.61 0.00 1.80 1.53 0.97 1.07 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 13 T 8.60 5.26 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 1.25 0.00 0.00 14 E 9.12 4.78 0.00 1.87 1.79 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 2.23 2.29 0.00 15 D 8.76 5.04 0.00 2.57 2.61 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 16 V 8.86 4.47 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 1.04 0.00 0.00 0.93 0.00 0.00 17 A 8.65 4.66 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 18 L 9.01 4.38 0.00 1.66 1.65 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.32 4.80 0.00 2.76 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 20 E 8.54 4.13 0.00 1.93 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 0.00 2.29 2.35 0.00 21 T 8.94 4.13 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 1.25 0.00 0.00 *23 V 7.56 4.03 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 0.77 0.00 0.00 0.97 0.00 0.00 24 W 9.39 4.52 0.00 3.17 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 25 N 8.46 4.72 0.00 2.67 2.74 0.00 0.00 6.30 7.66 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 26 E 7.96 3.88 0.00 2.04 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 0.00 2.42 2.49 0.00 27 D 6.65 4.59 0.00 2.26 1.79 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 28 I 8.21 3.77 1.79 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 1.35 0.44 0.85 0.00 0.00 29 E 7.61 4.17 0.00 1.95 1.94 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 2.30 2.23 0.00 *31 L 8.05 4.27 0.00 1.75 1.68 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.96 4.50 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.98 4.09 0.00 1.77 1.86 1.06 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 *34 H 8.10 4.06 0.00 3.33 3.31 0.00 6.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.78 4.74 0.00 2.01 1.74 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.74 4.25 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 0.73 0.00 0.00 0.94 0.00 0.00 37 A 8.66 4.26 1.45 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 38 T 8.70 3.72 4.21 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 1.18 0.00 0.00 39 S 8.08 4.06 0.00 4.02 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 40 A 7.89 3.92 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 41 L 7.84 3.88 0.00 1.75 1.60 0.70 0.79 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 42 I 7.85 3.51 1.86 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 1.29 0.54 0.50 0.00 0.00 43 G 7.85 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 44 V 7.58 3.51 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 0.95 0.00 0.00 0.96 0.00 0.00 45 V 7.80 3.51 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 0.79 0.00 0.00 0.91 0.00 0.00 46 H 8.18 3.90 0.00 3.16 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.17 4.01 0.00 1.83 1.98 0.00 3.08 0.00 0.00 3.04 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 48 V 7.70 3.70 2.22 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 1.09 0.00 0.00 1.08 0.00 0.00 49 S 7.81 3.91 0.00 2.72 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 50 Y 7.88 3.84 0.00 3.08 3.15 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 51 E 8.13 3.99 0.00 2.09 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 0.00 2.55 2.41 0.00 52 L 7.78 4.20 0.00 1.91 2.02 1.17 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.08 4.36 0.00 1.73 1.60 1.01 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.93 3.88 0.00 3.94 3.73 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 55 R 7.83 3.73 0.00 0.80 1.68 0.00 3.36 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 56 Y 7.92 4.64 0.00 3.06 3.40 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 57 L 7.20 4.28 0.00 1.63 1.70 0.82 0.96 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 58 P 0.00 4.53 0.00 2.02 1.86 0.00 3.65 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 1.45 2.09 0.00 59 N 8.95 4.40 0.00 2.78 2.95 0.00 0.00 6.86 8.06 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 60 D 8.29 5.03 0.00 2.80 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 61 Y 8.00 5.15 0.00 3.03 2.91 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 0.00 0.00 0.00 62 T 9.14 5.00 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 1.25 0.00 0.00 63 A 8.75 5.17 1.25 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 0.00 0.00 0.00 64 V 8.73 4.54 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 0.70 0.00 0.00 0.96 0.00 0.00 65 V 8.46 4.27 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 0.77 0.00 0.00 0.77 0.00 0.00 66 V 8.86 4.46 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 0.73 0.00 0.00 1.03 0.00 0.00 67 E 8.01 4.82 0.00 2.03 1.77 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 2.34 2.35 0.00 68 T 8.41 5.11 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 1.25 0.00 0.00 69 L 9.38 4.98 0.00 1.64 1.55 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.62 5.19 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 71 R 9.26 4.50 0.00 1.69 1.82 0.00 3.09 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 72 H 8.95 5.07 0.00 3.05 3.13 0.00 5.73 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.64 4.13 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 0.68 0.00 0.00 0.98 0.00 0.00 74 K 7.83 4.50 0.00 1.64 1.61 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.39 7.81 75 A 8.42 4.20 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 76 V 8.00 4.65 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 0.93 0.00 0.00 0.94 0.00 0.00 77 P 0.00 5.12 0.00 2.12 2.11 0.00 3.78 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 1.99 1.98 0.00 78 T 8.83 3.99 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 1.31 0.00 0.00 79 G 9.40 3.89 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 0.00 0.00 0.00 80 T 7.50 4.64 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 81 R 8.54 4.78 0.00 1.70 1.86 0.00 3.15 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 82 V 8.86 4.57 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 0.75 0.00 0.00 0.92 0.00 0.00 83 A 8.48 4.71 1.25 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 0.00 0.00 0.00 84 V 8.91 4.47 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 1.01 0.00 0.00 0.92 0.00 0.00 85 G 8.93 4.51 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 86 V 9.03 5.41 2.27 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 0.89 0.00 0.00 1.10 0.00 0.00 87 R 9.05 5.09 0.00 1.80 1.98 0.00 2.75 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 88 V 8.82 3.70 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 0.53 0.00 0.00 0.50 0.00 0.00 89 V 8.12 4.07 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 0.64 0.00 0.00 0.87 0.00 0.00 90 G 7.17 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 91 V 8.34 4.86 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 0.76 0.00 0.00 0.75 0.00 0.00 92 V 8.60 4.23 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 0.92 0.00 0.00 0.90 0.00 0.00 93 G 8.28 3.79 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 0.00 0.00 0.00 94 N 8.92 4.82 0.00 3.09 3.25 0.00 0.00 5.84 7.66 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 95 R 8.11 4.96 0.00 1.84 1.85 0.00 3.24 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 96 V 8.82 4.39 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 0.25 0.00 0.00 0.70 0.00 0.00 97 K 8.74 4.66 0.00 1.71 1.57 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.33 7.81 98 F 9.10 5.06 0.00 1.51 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 99 R 8.74 5.09 0.00 1.73 1.83 0.00 3.04 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 100 G 9.37 4.70 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 0.00 0.00 0.00 101 I 8.92 5.26 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 1.13 1.58 0.94 0.00 0.00 102 V 8.70 4.95 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 1.11 0.00 0.00 0.90 0.00 0.00 *104 S 8.48 4.36 0.00 3.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.65 3.84 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 0.00 0.00 0.00 106 D 9.20 4.70 0.00 2.70 2.56 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 0.00 107 E 7.88 4.56 0.00 2.09 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 2.28 2.37 0.00 108 K 8.60 4.12 0.00 1.72 1.72 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 109 I 8.95 4.29 1.99 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 1.11 1.03 0.90 0.00 0.00 110 L 7.60 5.24 0.00 1.54 1.36 0.74 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.14 5.39 0.00 2.08 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 2.18 2.24 0.00 112 A 8.90 5.21 1.35 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 0.00 0.00 113 E 9.76 5.18 0.00 2.01 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 2.23 0.00 114 F 9.09 5.51 0.00 3.28 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 0.00 115 V 9.24 4.91 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 1.07 0.00 0.00 0.95 0.00 0.00 116 R 9.11 5.24 0.00 2.03 1.91 0.00 3.30 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 117 A 9.07 5.09 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 0.00 118 I 8.52 4.61 1.36 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.33 0.70 0.00 0.00 119 V 8.87 4.59 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 0.77 0.00 0.00 1.01 0.00 0.00 120 P 0.00 3.98 0.00 1.96 1.46 0.00 3.48 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.42 0.00 121 R 8.68 3.87 0.00 1.83 1.98 0.00 3.18 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 122 E 8.14 3.87 0.00 2.03 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 2.37 2.42 0.00 123 K 7.79 3.88 0.00 1.84 1.92 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.53 7.81 124 L 7.83 3.95 0.00 1.80 1.76 0.92 0.98 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 0.00 125 R 8.15 3.87 0.00 2.06 1.95 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 126 R 7.97 3.90 0.00 2.01 1.98 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 127 L 7.80 3.95 0.00 1.75 1.73 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.95 4.15 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.76 4.35 0.00 1.72 1.71 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.19 4.19 0.00 1.99 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 2.26 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.