NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0260 8.0244 114.2686 61.1571 38.8018 175.2065 4 R 4.0797 7.9046 120.7259 53.1749 30.7184 171.9630 5 P 4.3790 0.0000 0.0000 62.5644 33.6429 176.5286 6 L 4.3877 8.1705 123.7770 54.4560 41.2080 172.7905 7 H 3.8622 8.4679 121.8003 56.1099 29.9993 176.8333 8 D 4.5323 9.0472 121.0327 55.7254 42.3344 174.0208 9 R 4.3238 7.7703 117.8029 56.0596 31.4972 175.9246 10 V 4.6708 8.8978 122.7281 61.1405 34.6986 174.0688 11 I 4.8278 8.8076 128.8153 60.0679 39.1623 175.3271 12 V 4.9590 8.9180 119.8297 59.5361 36.8782 174.1260 13 K 4.8774 8.8591 119.6055 55.1500 35.5585 176.1963 14 R 4.6664 8.7186 123.7380 56.0646 30.9290 176.0079 15 K 4.4159 8.8833 125.0911 55.8485 32.9757 176.7272 16 E 4.0063 8.6448 119.4056 56.4188 29.9033 176.9458 17 V 3.8944 8.0727 119.8830 62.4794 31.7138 171.8070 18 E 3.8067 8.7838 134.5171 56.0804 29.4400 174.5257 19 T 4.2105 8.1724 119.9794 62.6268 68.0582 175.4154 20 K 4.2961 8.6083 125.8739 57.5427 32.3582 178.4888 21 S 4.8152 8.0293 111.9547 56.7650 63.4744 175.4358 22 A 4.0899 7.7866 124.6705 54.6699 18.1767 179.7081 23 G 3.6327 7.9141 104.3688 47.5900 0.0000 173.3112 24 G 3.8082 7.2502 111.2623 45.3987 0.0000 174.6899 25 I 4.2084 7.4369 120.4609 61.5555 39.2533 177.1203 26 V 3.5741 7.6260 120.4369 63.0557 31.6956 174.7582 27 L 4.5467 8.2743 129.0040 55.4145 43.1101 174.9946 28 T 4.5757 8.3445 117.0835 61.3117 71.2092 175.2338 29 G 4.0297 8.8273 114.8330 46.5209 0.0000 177.1547 30 S 4.8905 9.0396 115.3557 56.4419 66.7980 173.9358 31 A 3.9058 9.4385 128.5974 53.3714 18.9133 176.8585 32 A 3.6056 8.3878 115.7960 52.4768 15.1482 176.7076 33 A 4.8214 8.3619 129.4268 50.1333 21.4841 175.9926 34 K 4.6030 8.4134 118.1837 56.4983 35.3674 178.9060 35 S 4.7830 8.5388 109.1050 57.3349 65.0632 173.4494 36 T 3.4985 8.6168 117.1600 63.1484 70.2905 174.2796 37 R 4.9370 7.8253 122.3511 55.1957 31.9888 175.6736 38 G 4.6084 9.2827 109.6171 44.7279 0.0000 170.7982 39 E 4.9337 8.9175 122.9987 54.7336 31.4736 175.4137 40 V 3.9732 8.9297 128.0779 63.0367 32.1385 176.1165 41 L 4.5378 8.7341 127.5613 56.1215 43.7623 176.5285 42 A 4.5642 7.3927 116.9268 51.0653 22.4494 175.4835 43 V 4.5914 8.2288 118.7952 60.7480 35.1517 175.5309 44 G 3.9205 8.7292 114.4096 45.8949 0.0000 174.2710 45 N 4.5248 8.7947 117.0179 54.6572 39.1475 174.3743 46 G 3.7520 6.5818 102.4922 43.8458 0.0000 171.7268 47 R 4.7849 8.5910 120.2626 54.6220 32.8331 177.4781 48 I 3.7101 8.4536 126.1730 64.2009 37.6378 176.5570 49 L 4.1439 7.4863 117.9965 56.0687 41.9982 177.1326 50 E 3.9048 8.7327 120.2816 55.1957 28.4611 176.5140 51 N 4.3253 7.6860 115.1633 55.5884 39.8145 174.7478 52 G 3.6891 8.0483 107.3033 45.0789 0.0000 173.9681 53 E 3.6442 8.1459 126.5346 55.6001 28.5297 174.1117 54 V 4.3079 7.9995 119.6102 61.6644 31.7567 175.3942 55 K 4.3852 8.6286 129.4705 55.6352 33.5960 175.1465 56 P 4.8532 0.0000 0.0000 62.1825 32.3871 176.1150 57 L 4.4115 8.3934 121.2146 55.1049 42.3172 176.7135 58 D 4.6319 8.9476 119.0407 55.2373 41.5778 177.9561 59 V 4.2841 7.4921 111.8147 60.1502 33.0960 174.6718 60 K 4.6668 8.9670 119.8723 54.7927 35.7363 175.8593 61 V 3.7372 8.1197 119.5728 64.2512 31.7619 176.2926 62 G 3.9828 8.8295 115.4715 45.1139 0.0000 173.3459 63 D 4.5020 7.7931 119.5883 54.5027 42.2680 175.8611 64 I 4.7489 8.2938 122.5806 60.0344 37.9274 175.5271 65 V 4.4476 8.8000 121.0968 60.3262 33.9416 175.1579 66 I 5.1318 8.8918 124.1029 59.6579 39.6512 174.8818 67 F 5.3364 8.2561 120.5606 55.1404 41.4633 174.2558 68 N 4.4228 9.2684 120.0199 52.6501 38.3649 175.3654 69 D 4.9111 8.3154 129.7219 53.5332 39.5796 173.9731 70 G 4.3635 7.5225 111.3130 43.2028 0.0000 170.6973 71 Y 4.1383 8.7628 119.1911 59.8380 39.0425 177.4996 72 G 3.7637 8.0653 107.4003 47.1887 0.0000 173.0433 73 V 4.1593 7.9364 121.2612 62.1688 32.1582 175.6791 74 K 4.6294 8.8285 127.3030 54.8140 35.2010 175.1078 75 S 5.0680 8.2762 115.4370 57.0488 65.5701 172.6296 76 E 4.7186 9.0689 124.0704 55.3594 34.7429 174.3204 77 K 4.7612 9.1158 122.5592 55.0591 34.2972 175.4139 78 I 4.1880 8.7557 129.2600 60.1921 37.3343 175.9144 79 D 4.5028 9.8443 126.1676 55.2837 38.4244 174.4679 80 N 4.5672 8.5811 116.5536 53.2515 38.1816 173.7679 81 E 4.2610 8.3959 118.6544 55.8784 30.2927 175.6140 82 E 4.4507 8.6942 123.5734 56.7996 30.0114 176.7284 83 V 4.7589 8.9713 117.0740 59.8906 36.7906 174.3199 84 L 5.1342 8.9899 121.5866 53.3692 46.7688 175.9676 85 I 4.9965 8.7957 121.9028 60.1540 40.7895 174.3912 86 M 5.1023 8.4518 125.2388 52.8855 34.4787 175.6092 87 S 4.5486 8.2053 114.7126 57.7888 63.7663 174.8559 88 E 3.9053 8.8899 124.9513 59.4092 29.4451 178.8894 89 S 4.2509 8.0640 111.4119 60.3011 63.0519 174.4196 90 D 4.6403 8.1416 120.7777 55.1627 41.2643 176.1442 91 I 4.1888 7.8909 121.7374 60.9622 37.6487 175.5691 92 L 4.3746 8.7932 125.5746 56.3551 42.8697 176.5257 93 A 4.4794 7.4015 117.9573 51.8481 21.9664 175.6512 94 I 4.1473 8.1279 124.6590 60.4671 35.8206 177.4860 *95 V 3.9215 7.5300 120.2852 60.8630 32.1549 176.6977 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 3 I 8.02 4.03 1.85 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 1.11 0.90 0.00 0.00 4 R 7.90 4.08 0.00 1.80 1.83 0.00 3.28 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 5 P 0.00 4.38 0.00 2.19 2.00 0.00 3.78 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 6 L 8.17 4.39 0.00 1.57 1.56 0.89 1.03 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 7 H 8.47 3.86 0.00 3.66 3.46 0.00 5.84 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 9.05 4.53 0.00 2.95 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 9 R 7.77 4.32 0.00 1.74 1.77 0.00 3.20 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 10 V 8.90 4.67 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 0.92 0.00 0.00 0.89 0.00 0.00 11 I 8.81 4.83 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.53 0.87 0.00 0.00 12 V 8.92 4.96 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 0.64 0.00 0.00 0.65 0.00 0.00 13 K 8.86 4.88 0.00 1.85 1.88 0.00 1.31 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.30 1.37 7.81 14 R 8.72 4.67 0.00 2.01 1.95 0.00 3.31 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.98 0.00 15 K 8.88 4.42 0.00 1.76 1.76 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.56 7.81 16 E 8.64 4.01 0.00 2.08 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 2.28 2.25 0.00 17 V 8.07 3.89 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 1.01 0.00 0.00 0.94 0.00 0.00 18 E 8.78 3.81 0.00 2.17 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 2.18 2.30 0.00 19 T 8.17 4.21 4.23 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 1.21 0.00 0.00 20 K 8.61 4.30 0.00 1.86 1.94 0.00 1.57 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.68 1.54 7.81 21 S 8.03 4.82 0.00 3.95 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 22 A 7.79 4.09 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 23 G 7.91 3.63 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 0.00 0.00 0.00 24 G 7.25 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 0.00 0.00 0.00 25 I 7.44 4.21 1.87 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 1.30 0.69 0.91 0.00 0.00 26 V 7.63 3.57 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 0.95 0.00 0.00 0.93 0.00 0.00 27 L 8.27 4.55 0.00 1.70 1.54 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.34 4.58 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 29 G 8.83 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 30 S 9.04 4.89 0.00 3.80 3.72 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 31 A 9.44 3.91 1.26 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 0.00 0.00 0.00 32 A 8.39 3.61 1.40 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 0.00 0.00 33 A 8.36 4.82 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 34 K 8.41 4.60 0.00 1.83 1.05 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.49 7.81 35 S 8.54 4.78 0.00 3.96 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 36 T 8.62 3.50 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 1.01 0.00 0.00 37 R 7.83 4.94 0.00 1.83 1.90 0.00 3.07 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 38 G 9.28 4.61 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 0.00 0.00 0.00 39 E 8.92 4.93 0.00 2.08 1.83 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 2.26 2.25 0.00 40 V 8.93 3.97 2.20 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 0.88 0.00 0.00 0.96 0.00 0.00 41 L 8.73 4.54 0.00 1.60 1.66 0.93 0.60 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 42 A 7.39 4.56 1.17 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 43 V 8.23 4.59 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 0.82 0.00 0.00 0.91 0.00 0.00 44 G 8.73 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.79 4.52 0.00 2.71 2.90 0.00 0.00 7.00 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 46 G 6.58 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 47 R 8.59 4.78 0.00 1.80 1.75 0.00 3.09 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 48 I 8.45 3.71 1.79 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.54 0.86 0.00 0.00 49 L 7.49 4.14 0.00 1.63 1.61 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.73 3.90 0.00 2.18 2.19 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 2.23 2.32 0.00 51 N 7.69 4.33 0.00 2.97 2.91 0.00 0.00 7.10 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.05 3.69 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 0.00 0.00 0.00 53 E 8.15 3.64 0.00 2.14 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 2.19 2.27 0.00 54 V 8.00 4.31 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 0.86 0.00 0.00 0.90 0.00 0.00 55 K 8.63 4.39 0.00 1.86 1.93 0.00 1.48 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.53 7.81 56 P 0.00 4.85 0.00 2.09 2.09 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 57 L 8.39 4.41 0.00 1.65 1.78 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.95 4.63 0.00 2.62 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 59 V 7.49 4.28 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 0.73 0.00 0.00 0.92 0.00 0.00 60 K 8.97 4.67 0.00 1.81 1.85 0.00 1.33 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.43 1.50 7.81 61 V 8.12 3.74 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 0.86 0.00 0.00 0.97 0.00 0.00 62 G 8.83 3.98 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 0.00 63 D 7.79 4.50 0.00 2.71 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 64 I 8.29 4.75 1.89 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 1.36 0.59 0.99 0.00 0.00 65 V 8.80 4.45 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 0.74 0.00 0.00 1.06 0.00 0.00 66 I 8.89 5.13 1.89 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 1.26 0.86 0.88 0.00 0.00 67 F 8.26 5.34 0.00 3.12 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 68 N 9.27 4.42 0.00 2.75 3.01 0.00 0.00 7.10 8.14 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 69 D 8.32 4.91 0.00 2.48 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 70 G 7.52 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 0.00 0.00 0.00 0.00 71 Y 8.76 4.14 0.00 2.92 3.06 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 0.00 0.00 0.00 72 G 8.07 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 73 V 7.94 4.16 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 0.65 0.00 0.00 1.11 0.00 0.00 74 K 8.83 4.63 0.00 1.64 1.57 0.00 1.36 0.00 0.00 1.29 0.00 0.00 2.45 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.33 1.35 7.81 75 S 8.28 5.07 0.00 3.81 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 76 E 9.07 4.72 0.00 1.85 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 0.00 2.21 2.38 0.00 77 K 9.12 4.76 0.00 1.64 1.67 0.00 1.90 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.43 7.81 78 I 8.76 4.19 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 0.39 0.90 0.00 0.00 79 D 9.84 4.50 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 80 N 8.58 4.57 0.00 2.71 3.28 0.00 0.00 7.25 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 81 E 8.40 4.26 0.00 2.24 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 2.31 2.32 0.00 82 E 8.69 4.45 0.00 1.86 1.92 0.00 0.00 0.00 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 2.30 0.00 83 V 8.97 4.76 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 0.71 0.00 0.00 0.94 0.00 0.00 84 L 8.99 5.13 0.00 1.41 1.42 0.94 0.80 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 85 I 8.80 5.00 1.79 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 1.22 0.73 0.84 0.00 0.00 86 M 8.45 5.10 0.00 1.84 2.05 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 87 S 8.21 4.55 0.00 4.04 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 88 E 8.89 3.91 0.00 1.95 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 2.32 2.27 0.00 89 S 8.06 4.25 0.00 4.03 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 90 D 8.14 4.64 0.00 2.90 2.94 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 91 I 7.89 4.19 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.55 0.96 0.00 0.00 92 L 8.79 4.37 0.00 1.75 1.73 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.40 4.48 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 94 I 8.13 4.15 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 1.29 0.65 0.92 0.00 0.00 *95 V 7.53 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.