NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.6115 8.4449 117.3762 54.2889 30.5137 173.5288 *2 D 4.4857 7.7494 117.5192 54.0208 41.7855 174.4689 3 I 4.4300 8.1225 122.7617 60.1697 38.7724 175.2053 4 R 4.5567 9.0116 125.6680 54.5375 32.7515 174.6249 5 Y 5.0053 8.2119 119.7779 56.1748 41.0563 175.0451 6 F 4.8024 9.4660 121.7892 55.9398 43.2338 175.4034 7 G 3.9359 8.9762 109.4511 46.8189 0.0000 173.7588 8 T 4.0483 8.0594 115.2806 63.3354 68.6627 174.7550 9 T 4.5594 8.7400 117.1220 58.9372 71.2778 173.1803 10 P 4.2670 0.0000 0.0000 64.1959 31.4003 177.5032 11 R 4.4732 6.9447 113.6433 56.2690 31.5087 175.0250 12 Y 4.8834 7.4914 114.9598 55.8510 41.0109 173.0917 13 S 5.2131 8.4276 116.3548 56.7490 64.9615 174.3439 14 E 3.8285 8.4904 123.9871 58.9800 30.3076 177.0227 15 A 5.1266 7.9843 119.3507 50.2112 23.2995 175.3922 16 V 4.8459 9.0235 120.4283 61.0020 35.0833 174.5777 17 G 4.7084 9.5214 114.1782 44.5124 0.0000 171.6365 18 A 4.9573 9.2475 125.1114 51.0796 23.0326 175.9278 19 N 4.1868 9.8560 121.3421 54.5860 37.5833 174.9427 20 G 4.0765 8.0720 106.1507 45.5741 0.0000 173.1479 21 L 4.8424 7.7491 119.6545 54.2759 43.5988 176.0478 22 I 5.0653 8.5960 121.9041 59.6685 41.5283 174.3024 23 F 4.9089 9.5758 125.5723 55.6973 41.6432 174.2428 24 L 4.9335 8.5854 124.5330 53.3109 42.8010 177.1810 25 S 4.1462 8.7673 119.9143 58.5421 63.7315 175.9392 26 G 4.4379 8.3767 108.2170 44.8072 0.0000 173.1403 *28 V 3.4885 7.9832 117.6483 60.2906 32.2545 173.4272 29 P 4.3667 0.0000 0.0000 62.9793 31.5056 176.3522 30 E 4.5373 9.7861 123.0213 56.9032 30.6239 176.0865 31 N 4.9482 8.2061 114.7204 52.6243 42.6780 173.8337 32 G 4.1747 8.7433 108.7669 45.0041 0.0000 172.9264 33 E 4.4657 8.8861 118.2538 58.0386 31.3809 177.8918 34 T 4.2854 8.4580 109.2952 60.7228 71.1560 175.1098 35 A 3.9913 8.6733 123.4343 55.5980 18.3160 179.9745 36 A 3.9461 8.5929 119.1510 55.3725 18.4711 179.7678 37 E 3.9294 7.9761 116.9588 59.7512 29.5778 179.7111 38 Q 4.1816 8.5599 118.5290 59.0885 28.6591 178.8195 39 T 3.8018 8.3670 117.0685 66.5570 68.5108 176.4622 40 A 3.8786 7.7721 122.1519 55.1273 18.3991 179.1601 41 D 4.1815 8.0338 116.5030 57.4095 41.3250 178.6144 42 V 3.4638 7.7246 118.6342 66.1280 31.5784 178.0829 43 L 3.4659 7.9766 118.6264 57.3132 41.2113 179.3985 44 A 4.0322 7.8409 121.0179 55.1426 18.3010 179.7205 45 Q 3.9180 8.0296 116.6024 59.1226 28.7973 178.8515 46 I 3.8655 7.8941 120.8595 64.5092 37.1836 178.1767 47 D 4.4551 8.2240 119.5404 57.4924 40.6131 178.7126 48 R 3.7211 7.8495 118.4735 59.3949 30.1280 179.1298 49 W 4.4871 8.1376 118.1473 59.4216 29.1382 178.7599 50 L 3.9647 8.2395 118.8424 57.8518 41.1454 179.2659 51 A 4.1832 7.8276 121.7739 54.6441 18.0232 179.3048 52 E 3.9491 7.7968 116.5124 59.0882 29.7435 177.8233 53 C 3.9132 7.3447 113.8322 58.5638 28.6026 173.5483 54 G 3.7574 7.9235 108.6896 46.7809 0.0000 173.3848 55 S 4.7961 8.2651 114.1984 56.7095 66.0153 171.2501 56 D 4.5110 7.9349 119.1679 52.1311 41.3737 176.1939 57 K 3.8109 8.4400 117.8029 59.4201 32.3576 177.5363 58 A 4.1927 7.6550 120.4447 52.8155 18.5438 176.9669 59 H 4.8406 8.2706 113.1896 55.5139 30.3951 172.9823 60 V 4.1893 7.7795 119.3043 62.4775 32.4620 175.5259 61 L 4.4320 8.9641 127.2958 56.7774 43.2140 176.2745 62 D 5.2986 7.8459 116.3319 52.6859 45.3378 173.8901 63 A 5.1275 9.1900 126.0397 50.2578 22.7168 174.7921 64 V 4.4074 8.8727 123.2817 61.0937 34.0322 174.3251 65 I 4.7161 8.1899 129.1439 59.7506 39.6598 174.0778 66 Y 5.0967 9.0326 125.7614 56.4199 40.0220 174.7136 67 L 5.2132 8.8000 124.5579 52.9813 44.1500 177.5467 68 R 4.1167 8.7091 124.1274 58.7866 30.6860 175.1697 69 D 5.1946 7.7809 117.9956 52.5183 43.8491 175.2950 *71 G 3.9652 8.5457 104.7335 45.7414 0.0000 173.1197 72 D 4.7435 8.0727 119.2269 54.5453 41.0827 177.7297 73 Y 4.0073 8.1217 121.1280 60.7848 39.3783 177.0922 74 A 3.9672 8.1609 122.2253 55.2422 18.9712 179.1998 75 E 4.1332 7.6644 113.9686 57.1045 29.2152 178.0992 *77 N 4.6939 8.3580 116.7708 52.7635 40.4898 176.7475 78 G 3.7691 7.9467 104.3951 48.1914 0.0000 175.8336 79 V 3.7908 7.4825 119.7666 65.0753 31.4930 178.0327 80 W 4.2547 8.1049 127.8243 60.6706 30.5187 177.4837 81 D 4.4282 9.0335 118.1577 57.4902 40.3231 178.4668 82 A 4.1515 7.6570 118.7399 53.8985 18.4849 178.8231 83 W 4.3103 7.3776 124.9051 58.7795 31.6211 177.4134 84 V 2.6817 6.9145 110.5541 61.1471 31.6830 175.7221 85 A 3.8574 7.7643 125.9608 51.0198 18.5062 177.0496 86 A 4.0688 8.3113 126.4928 54.0607 18.7652 177.9478 87 G 4.0413 8.9726 110.1665 45.7379 0.0000 173.6322 88 R 4.6399 7.6810 118.7077 55.7601 31.1856 175.4961 89 T 4.2157 7.8916 107.6145 60.3378 70.1293 172.6269 90 P 4.8013 0.0000 0.0000 61.4578 33.4519 175.2143 91 A 4.2674 8.6433 121.6949 52.6277 19.2935 176.7330 92 R 5.1150 8.3525 119.2475 55.0259 33.6002 173.9634 93 A 4.7295 8.5747 124.9712 50.5724 23.2227 174.6997 94 C 4.9710 8.3941 119.7644 57.9613 34.5108 173.4461 95 V 4.5453 8.4839 118.2200 59.6377 36.3727 173.6707 96 E 5.1230 8.5802 122.5445 54.9846 30.6486 174.8885 97 A 4.7848 9.1355 127.1483 50.8047 23.1799 175.5015 98 R 4.2220 8.6596 117.9951 55.9952 30.7595 176.0504 99 L 4.7324 8.2170 120.6362 52.8025 44.4798 176.9480 100 A 4.1986 8.9396 121.1694 54.6997 18.6820 178.1503 101 R 4.2473 6.8158 115.2470 53.1625 33.0402 174.9500 102 P 4.2937 0.0000 0.0000 65.5494 31.4874 177.5899 103 E 4.0602 7.8333 117.8524 58.6884 29.6208 177.3910 104 W 4.6957 7.8647 119.6181 57.0251 29.5710 176.0639 105 R 4.7481 9.9165 122.5861 56.5920 31.4867 176.4423 106 V 5.0476 7.5806 117.0869 60.3845 34.5478 173.5018 107 E 4.7041 9.3005 123.4567 54.6726 33.3540 173.8076 108 I 5.0091 8.4381 126.3975 59.3591 40.3724 174.4520 109 K 4.5946 9.2976 128.8333 54.7610 34.3949 174.6149 110 I 5.0386 8.4266 127.8051 59.8923 40.1811 174.4381 111 T 4.8073 8.7976 123.0333 61.8304 71.1511 173.4460 112 A 5.0144 8.7269 126.3508 50.8424 23.5707 174.7709 113 V 4.8660 8.3014 111.7422 59.3820 34.5064 176.2963 114 K 4.2722 9.0179 126.0894 55.9191 32.9712 177.1715 115 R 4.0096 8.2664 125.0447 56.5801 29.9067 176.4608 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 4.61 0.00 2.95 3.05 0.00 7.20 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 D 7.75 4.49 0.00 2.67 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 3 I 8.12 4.43 1.68 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 1.26 0.50 0.14 0.00 0.00 4 R 9.01 4.56 0.00 1.77 1.49 0.00 3.11 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 5 Y 8.21 5.01 0.00 2.70 2.77 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 6 F 9.47 4.80 0.00 2.96 3.12 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 7 G 8.98 3.94 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 0.00 0.00 0.00 8 T 8.06 4.05 4.22 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 1.10 0.00 0.00 9 T 8.74 4.56 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 1.22 0.00 0.00 10 P 0.00 4.27 0.00 1.96 2.07 0.00 3.45 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 11 R 6.94 4.47 0.00 1.98 1.87 0.00 2.96 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.62 0.00 12 Y 7.49 4.88 0.00 3.08 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 13 S 8.43 5.21 0.00 3.90 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 0.00 14 E 8.49 3.83 0.00 1.16 1.12 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 2.22 1.94 0.00 15 A 7.98 5.13 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 16 V 9.02 4.85 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 0.74 0.00 0.00 1.06 0.00 0.00 17 G 9.52 4.71 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 0.00 0.00 0.00 18 A 9.25 4.96 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 19 N 9.86 4.19 0.00 2.78 2.84 0.00 0.00 7.20 7.98 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 20 G 8.07 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 0.00 0.00 0.00 0.00 21 L 7.75 4.84 0.00 1.94 1.66 1.06 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.60 5.07 1.90 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 1.21 0.84 0.88 0.00 0.00 23 F 9.58 4.91 0.00 2.86 2.96 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 24 L 8.59 4.93 0.00 1.72 1.59 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.77 4.15 0.00 3.54 3.54 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 26 G 8.38 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *28 V 7.98 3.49 1.51 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 -0.79 0.00 0.00 0.16 0.00 0.00 29 P 0.00 4.37 0.00 2.05 2.00 0.00 2.43 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 30 E 9.79 4.54 0.00 1.90 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 2.28 2.21 0.00 31 N 8.21 4.95 0.00 2.85 2.66 0.00 0.00 7.13 7.65 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 32 G 8.74 4.17 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 0.00 0.00 0.00 33 E 8.89 4.47 0.00 1.97 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 0.00 2.25 2.28 0.00 34 T 8.46 4.29 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 1.25 0.00 0.00 35 A 8.67 3.99 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.59 3.95 1.38 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 0.00 0.00 37 E 7.98 3.93 0.00 2.14 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 2.34 2.36 0.00 38 Q 8.56 4.18 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 39 T 8.37 3.80 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 1.22 0.00 0.00 40 A 7.77 3.88 1.38 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 0.00 0.00 41 D 8.03 4.18 0.00 2.83 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 42 V 7.72 3.46 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 0.88 0.00 0.00 0.86 0.00 0.00 43 L 7.98 3.47 0.00 1.15 0.21 0.48 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.84 4.03 1.38 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 0.00 0.00 45 Q 8.03 3.92 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 46 I 7.89 3.87 1.97 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.84 1.11 0.00 0.00 47 D 8.22 4.46 0.00 2.96 2.77 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 48 R 7.85 3.72 0.00 1.71 1.27 0.00 2.84 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.52 0.00 49 W 8.14 4.49 0.00 3.44 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 50 L 8.24 3.96 0.00 1.74 1.80 1.03 0.73 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 51 A 7.83 4.18 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 52 E 7.80 3.95 0.00 2.07 2.21 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 2.68 2.49 0.00 53 C 7.34 3.91 0.00 2.88 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 54 G 7.92 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 0.00 0.00 0.00 55 S 8.27 4.80 0.00 3.72 3.66 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 0.00 0.00 0.00 56 D 7.93 4.51 0.00 2.83 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 57 K 8.44 3.81 0.00 0.79 1.64 0.00 0.61 0.00 0.00 1.37 0.00 0.00 2.46 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.00 0.69 7.81 58 A 7.66 4.19 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 59 H 8.27 4.84 0.00 3.30 3.20 0.00 5.81 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.78 4.19 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 0.99 0.00 0.00 1.07 0.00 0.00 61 L 8.96 4.43 0.00 1.57 1.66 0.85 0.62 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 62 D 7.85 5.30 0.00 2.75 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 9.19 5.13 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.87 4.41 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 0.34 0.00 0.00 0.93 0.00 0.00 65 I 8.19 4.72 1.63 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.16 0.80 0.00 0.00 66 Y 9.03 5.10 0.00 2.86 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 67 L 8.80 5.21 0.00 1.60 1.74 1.05 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.71 4.12 0.00 2.05 2.01 0.00 3.06 0.00 0.00 3.04 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.46 0.00 69 D 7.78 5.19 0.00 2.72 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 *71 G 8.55 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 72 D 8.07 4.74 0.00 2.99 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 73 Y 8.12 4.01 0.00 2.81 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 74 A 8.16 3.97 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 75 E 7.66 4.13 0.00 2.18 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 2.31 2.29 0.00 *77 N 8.36 4.69 0.00 2.72 2.77 0.00 0.00 6.88 7.95 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 78 G 7.95 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 0.00 0.00 0.00 79 V 7.48 3.79 2.12 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 1.00 0.00 0.00 0.99 0.00 0.00 80 W 8.10 4.25 0.00 3.50 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 81 D 9.03 4.43 0.00 2.74 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 82 A 7.66 4.15 1.41 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 0.00 0.00 0.00 83 W 7.38 4.31 0.00 3.18 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 84 V 6.91 2.68 1.75 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 -0.23 0.00 0.00 0.82 0.00 0.00 85 A 7.76 3.86 0.98 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 0.00 0.00 86 A 8.31 4.07 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 87 G 8.97 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 0.00 0.00 0.00 88 R 7.68 4.64 0.00 1.71 1.74 0.00 3.23 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 89 T 7.89 4.22 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 1.21 0.00 0.00 90 P 0.00 4.80 0.00 2.30 2.30 0.00 4.01 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 2.41 2.21 0.00 91 A 8.64 4.27 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.35 5.11 0.00 1.81 1.67 0.00 2.21 0.00 0.00 2.93 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.30 0.00 93 A 8.57 4.73 1.11 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 94 C 8.39 4.97 0.00 2.87 2.76 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 95 V 8.48 4.55 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 0.61 0.00 0.00 0.96 0.00 0.00 96 E 8.58 5.12 0.00 1.96 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 2.43 2.31 0.00 97 A 9.14 4.78 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 98 R 8.66 4.22 0.00 1.84 1.95 0.00 2.99 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 99 L 8.22 4.73 0.00 2.03 1.90 1.13 1.00 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 0.00 100 A 8.94 4.20 1.49 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 0.00 0.00 101 R 6.82 4.25 0.00 0.67 1.11 0.00 2.91 0.00 0.00 2.90 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 102 P 0.00 4.29 0.00 2.11 2.12 0.00 3.51 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 103 E 7.83 4.06 0.00 1.91 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 2.28 2.33 0.00 104 W 7.86 4.70 0.00 3.51 2.99 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 0.00 105 R 9.92 4.75 0.00 1.86 2.00 0.00 3.41 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 106 V 7.58 5.05 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 0.61 0.00 0.00 0.92 0.00 0.00 107 E 9.30 4.70 0.00 2.04 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 2.26 2.20 0.00 108 I 8.44 5.01 1.85 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 1.17 0.76 0.96 0.00 0.00 109 K 9.30 4.59 0.00 1.97 1.77 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.52 7.81 110 I 8.43 5.04 1.93 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.07 0.98 0.00 0.00 111 T 8.80 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 0.64 0.00 0.00 112 A 8.73 5.01 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 0.00 113 V 8.30 4.87 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 0.66 0.00 0.00 1.01 0.00 0.00 114 K 9.02 4.27 0.00 1.72 1.69 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.59 7.81 115 R 8.27 4.01 0.00 1.78 1.73 0.00 3.12 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.46 0.00 * Residues marked with a * may have inaccurate shift predictions.