NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4299 8.3044 120.3551 55.0044 33.6316 174.5177 2 L 4.2626 8.3309 126.3920 54.1707 43.8090 170.0733 3 V 5.0408 9.4258 128.3517 61.3944 34.0220 173.6586 4 A 5.2390 9.3165 130.7225 50.9382 20.9735 175.2900 5 Y 5.9213 8.3698 118.2869 55.0092 42.1615 173.3519 6 D 5.0433 8.7006 118.2161 52.9200 44.8878 174.5629 7 S 4.6414 8.6297 116.6225 57.5005 65.5940 173.2165 8 M 4.1950 7.8965 126.8236 56.8580 32.8695 176.4905 9 T 4.3365 7.5277 104.7023 61.0930 69.5060 174.6396 10 G 4.0795 7.9569 110.9393 45.9058 0.0000 176.0615 11 N 4.3520 8.2236 117.4407 56.4573 38.5513 177.2984 12 V 3.8293 7.7915 119.2239 65.7275 31.7011 177.6845 13 K 3.5971 8.1345 119.0865 59.4300 31.8363 178.4812 14 R 3.8329 8.0857 118.0962 59.3682 30.3230 177.8042 15 F 4.0248 8.3506 120.6647 61.3030 39.3421 177.1929 16 I 3.4515 7.9509 112.8697 64.0522 37.0917 177.6778 17 H 4.1601 7.8878 116.5414 57.6594 28.5707 177.1405 18 K 4.0387 7.4709 119.4912 58.2938 30.6790 178.6382 19 L 3.9222 7.4238 119.6976 55.0807 41.3837 177.1817 20 N 4.2529 7.9186 113.4913 54.5053 36.1049 173.6366 21 M 4.7031 6.9917 114.2962 52.5217 34.7648 174.3508 22 P 4.4966 0.0000 0.0000 63.4116 32.4288 175.3327 23 A 5.4288 8.3942 124.0152 50.8405 22.6187 175.7494 24 V 4.4709 8.8743 119.1823 60.0307 35.0833 174.1676 25 Q 3.4928 8.4478 126.0117 55.0130 29.5899 175.4266 26 I 3.5835 7.8515 120.7582 60.7728 38.5922 175.2229 27 G 4.1959 8.1067 111.3326 43.6336 0.0000 173.1612 28 E 3.9782 8.8566 118.3475 59.2705 29.3589 178.3146 29 D 4.6241 7.8727 115.2497 54.2770 41.5817 175.9983 30 L 4.2374 7.5566 122.4649 54.1794 42.7118 175.8048 31 V 4.4387 8.3157 125.1489 60.9905 33.5608 174.3445 32 I 4.3320 8.7209 128.7087 59.8591 38.1262 175.0324 33 D 4.7951 8.7196 124.4370 52.8438 39.7652 175.4393 34 E 4.8408 7.6871 116.4401 54.1607 32.8909 174.6880 35 D 4.9177 8.6451 119.2182 55.2510 41.4472 176.0746 36 F 5.2589 8.8932 116.2496 55.7450 42.1104 172.9253 37 I 4.8406 8.8774 120.5392 59.6933 39.6040 174.4159 38 L 5.4089 8.7698 128.2000 53.6178 44.6112 174.9103 39 I 5.1159 9.1445 126.7261 59.9130 39.9809 174.5930 40 T 4.9978 8.9224 121.1548 60.3776 71.2544 172.1629 41 Y 5.2131 7.9380 122.7880 55.2052 40.4286 174.3926 42 T 4.5645 8.2035 115.0346 61.9675 71.2978 174.0251 43 T 4.3644 8.2062 119.1441 60.5704 71.4155 174.2819 44 G 3.6416 8.0263 111.6149 46.5538 0.0000 175.9561 45 F 4.2629 8.5664 115.0184 56.1889 37.5806 175.3457 46 G 3.7768 7.8503 109.7443 45.8045 0.0000 170.6201 47 N 4.8247 7.8617 116.9206 50.8937 40.7425 174.3824 48 V 3.9425 7.8918 119.7517 61.5491 32.5070 174.8710 49 P 4.2743 0.0000 0.0000 62.1860 33.0631 176.9957 50 E 3.8885 8.7765 121.8572 59.7181 29.5483 179.3623 51 R 3.8834 7.9649 118.0182 59.3768 30.1033 178.5384 52 V 3.6598 7.6501 117.5965 65.8705 31.6034 177.6953 53 L 4.0597 8.1920 119.0573 58.1341 41.6563 179.5326 54 E 4.0083 8.4885 118.5058 59.1601 29.4123 179.1592 55 F 4.1718 8.4216 120.7936 61.4031 39.0171 177.3065 56 L 3.7433 8.5392 118.9218 57.4875 41.1026 179.0426 57 E 4.0254 8.1518 118.1757 59.2777 29.4627 178.8505 58 R 4.3751 7.1640 114.9306 56.5883 30.7209 176.9002 59 N 4.8573 7.2691 114.4817 52.5577 39.9528 175.7017 60 N 4.0021 7.6995 116.7813 54.4165 37.7982 176.6584 61 E 3.8290 8.2778 119.8875 59.0933 29.7776 177.4321 62 K 4.3881 7.6286 115.2112 55.7577 32.5411 175.8194 63 L 3.1094 7.3533 122.5774 54.7445 42.1473 176.5954 64 K 4.4084 8.4566 124.2578 55.3978 33.8642 176.1398 65 G 4.2410 7.1240 108.8017 46.1417 0.0000 172.2666 66 V 5.2935 8.0947 119.3531 60.0709 35.1075 174.4568 67 S 5.7878 9.7434 118.7360 55.9257 66.8134 172.7890 68 A 4.9886 8.1318 122.7426 50.1354 22.1867 175.1853 69 S 3.4804 8.4483 116.8299 57.7064 64.1419 173.7911 70 G 4.1507 8.2493 111.1124 46.4213 0.0000 171.3047 71 N 5.3113 8.9817 119.4989 52.4473 41.7267 176.5173 72 R 3.8121 9.5286 126.0971 58.1670 30.2270 178.3107 73 N 4.3654 8.5974 115.3686 54.7280 37.4408 175.8171 74 W 4.3227 8.7829 118.8586 56.3497 30.4766 177.2415 75 G 3.7962 8.0240 109.4876 46.9380 0.0000 176.5688 76 D 4.6352 8.9801 124.1739 56.0044 40.8784 176.3152 77 M 4.4135 8.5144 119.2536 54.9025 32.4106 175.6648 78 F 4.5021 8.4319 122.8869 59.7077 39.8540 174.6756 79 G 3.5029 8.4927 115.1588 45.6229 0.0000 174.6015 80 A 4.6624 8.0130 123.3721 52.9758 18.2322 180.3449 81 S 3.9480 7.8089 113.0193 61.3549 63.0463 176.3652 82 A 3.9677 7.8345 124.3995 54.8548 18.1110 179.3375 83 D 4.3195 7.9574 116.9800 57.3522 40.9558 179.0363 84 K 3.9524 8.2075 119.0558 59.5508 32.0143 179.5567 85 I 3.8441 7.8952 120.1168 64.3642 37.1581 178.3629 86 S 4.2933 8.7810 115.5666 60.8246 61.9769 176.2073 87 A 3.9730 7.8785 122.2584 54.9000 18.2081 179.3182 88 K 3.8487 7.8374 117.0570 59.3712 32.4145 177.9100 89 Y 4.4842 7.8346 113.3658 56.5238 39.3131 175.1774 90 E 3.8693 7.9144 118.5884 57.8322 27.3620 174.3076 91 V 4.5739 7.0230 110.7049 58.4098 36.2988 174.0054 92 P 4.4380 0.0000 0.0000 62.7907 32.7679 175.5082 93 I 4.3747 8.2292 123.1861 61.4691 36.9796 176.0767 94 V 3.8262 9.0908 129.1572 65.3672 32.0326 175.9213 95 S 4.9383 7.6828 112.0752 57.8792 65.8852 174.0808 96 K 5.0799 8.8994 119.3689 54.6101 35.1918 175.7146 97 F 5.2257 8.2330 117.8150 55.2818 42.0775 173.2092 98 E 5.0001 9.1103 119.1228 55.7458 30.9017 176.2748 99 L 3.6150 8.7307 124.1773 56.5939 41.1054 175.9855 100 S 4.7661 9.0863 122.2121 58.8601 63.1572 174.6680 101 G 4.1682 8.5503 107.8897 46.5837 0.0000 173.7964 102 T 4.5197 8.7843 110.9167 60.0179 72.2001 175.5667 103 N 4.3504 8.5307 117.6510 56.5585 38.3407 177.4152 104 N 4.4499 8.1444 117.5118 56.3522 38.7001 176.9783 105 D 4.5707 8.3201 120.4480 57.2605 40.8833 179.0332 106 V 3.4377 7.9590 118.7485 66.0514 31.5036 177.7498 107 E 3.9872 8.3529 119.0656 59.3436 29.3765 178.0916 108 Y 4.0978 8.6071 120.0488 60.6298 38.8307 177.6661 109 F 4.0551 8.6814 121.6135 61.4016 39.4677 177.2114 110 K 3.9835 8.3156 117.9616 59.6096 31.9424 179.2609 111 E 3.9029 8.4141 119.0498 59.4206 29.3711 179.6777 112 R 3.7328 7.9177 118.4829 59.0613 29.9944 179.2912 113 V 3.4005 7.6543 118.3869 65.8194 31.1932 178.2958 114 R 3.9264 7.8547 117.3295 59.0392 30.2377 178.6664 115 E 4.0595 7.8296 117.9161 59.6043 29.3140 179.4983 116 I 3.6937 7.4936 118.1155 64.1773 37.1963 178.1587 117 A 4.1221 8.1990 121.2583 54.5771 18.2558 178.9275 118 T 4.0271 7.5260 108.8543 64.3697 69.2753 175.1764 *119 H 4.5152 8.0408 123.1858 54.8747 28.7878 178.4174 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 1 M 8.30 4.43 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.68 0.00 2 L 8.33 4.26 0.00 1.98 1.82 1.00 0.52 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 3 V 9.43 5.04 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 1.20 0.00 0.00 4 A 9.32 5.24 1.06 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 0.00 0.00 5 Y 8.37 5.92 0.00 3.13 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 6 D 8.70 5.04 0.00 2.57 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 4.64 0.00 4.07 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 8 M 7.90 4.20 0.00 1.46 1.90 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 9 T 7.53 4.34 4.18 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 1.11 0.00 0.00 10 G 7.96 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 11 N 8.22 4.35 0.00 2.77 3.09 0.00 0.00 6.77 7.68 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 12 V 7.79 3.83 2.25 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 1.38 0.00 0.00 1.08 0.00 0.00 13 K 8.13 3.60 0.00 2.03 1.98 0.00 1.94 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.62 7.81 14 R 8.09 3.83 0.00 1.92 2.18 0.00 3.33 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 15 F 8.35 4.02 0.00 3.20 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 16 I 7.95 3.45 1.51 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.05 0.73 0.00 0.00 17 H 7.89 4.16 0.00 3.16 3.36 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.47 4.04 0.00 1.43 1.60 0.00 1.46 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.51 7.81 19 L 7.42 3.92 0.00 1.65 1.59 0.57 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 20 N 7.92 4.25 0.00 2.81 2.86 0.00 0.00 6.77 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 21 M 6.99 4.70 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.51 0.00 22 P 0.00 4.50 0.00 2.11 2.01 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 23 A 8.39 5.43 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 24 V 8.87 4.47 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 0.63 0.00 0.00 0.83 0.00 0.00 25 Q 8.45 3.49 0.00 1.26 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.04 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 26 I 7.85 3.58 0.78 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.42 0.04 0.00 0.00 27 G 8.11 4.20 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 0.00 0.00 0.00 28 E 8.86 3.98 0.00 1.97 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 2.33 2.35 0.00 29 D 7.87 4.62 0.00 2.63 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 30 L 7.56 4.24 0.00 1.53 1.80 0.89 1.09 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 31 V 8.32 4.44 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 0.87 0.00 0.00 0.91 0.00 0.00 32 I 8.72 4.33 1.60 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 1.26 0.76 0.94 0.00 0.00 33 D 8.72 4.80 0.00 2.79 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 34 E 7.69 4.84 0.00 2.09 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 0.00 2.23 2.41 0.00 35 D 8.65 4.92 0.00 2.62 2.66 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 36 F 8.89 5.26 0.00 3.34 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 37 I 8.88 4.84 2.12 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 1.15 1.01 1.20 0.00 0.00 38 L 8.77 5.41 0.00 2.15 1.65 1.10 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 I 9.14 5.12 2.05 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.72 1.05 0.00 0.00 40 T 8.92 5.00 4.20 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 1.18 0.00 0.00 41 Y 7.94 5.21 0.00 2.92 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 42 T 8.20 4.56 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 0.99 0.00 0.00 43 T 8.21 4.36 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 1.16 0.00 0.00 44 G 8.03 3.64 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 0.00 0.00 0.00 45 F 8.57 4.26 0.00 3.16 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 G 7.85 3.78 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 0.00 0.00 0.00 47 N 7.86 4.82 0.00 2.82 2.66 0.00 0.00 6.67 8.49 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 48 V 7.89 3.94 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 0.76 0.00 0.00 0.90 0.00 0.00 49 P 0.00 4.27 0.00 1.91 1.71 0.00 3.36 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.18 0.00 50 E 8.78 3.89 0.00 2.07 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 0.00 2.39 2.46 0.00 51 R 7.96 3.88 0.00 1.93 2.07 0.00 3.19 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 52 V 7.65 3.66 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 1.12 0.00 0.00 0.82 0.00 0.00 53 L 8.19 4.06 0.00 1.92 1.75 0.92 1.19 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 54 E 8.49 4.01 0.00 2.02 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 2.54 2.52 0.00 55 F 8.42 4.17 0.00 3.20 3.33 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 56 L 8.54 3.74 0.00 1.76 1.46 1.04 0.87 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 57 E 8.15 4.03 0.00 2.18 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 2.40 2.54 0.00 58 R 7.16 4.38 0.00 1.82 1.85 0.00 3.07 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 59 N 7.27 4.86 0.00 1.51 2.27 0.00 0.00 6.60 6.92 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 60 N 7.70 4.00 0.00 2.15 2.54 0.00 0.00 6.61 7.54 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 61 E 8.28 3.83 0.00 1.92 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 2.29 2.35 0.00 62 K 7.63 4.39 0.00 2.19 2.03 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.60 7.81 63 L 7.35 3.11 0.00 1.17 1.41 0.64 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.46 4.41 0.00 1.48 1.70 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.42 7.81 65 G 7.12 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 0.00 0.00 0.00 0.00 66 V 8.09 5.29 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 0.91 0.00 0.00 1.02 0.00 0.00 67 S 9.74 5.79 0.00 4.09 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 68 A 8.13 4.99 0.92 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 69 S 8.45 3.48 0.00 3.36 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 70 G 8.25 4.15 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 0.00 0.00 0.00 71 N 8.98 5.31 0.00 2.86 3.02 0.00 0.00 6.95 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 72 R 9.53 3.81 0.00 1.75 1.72 0.00 2.88 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 0.67 0.00 73 N 8.60 4.37 0.00 2.65 2.89 0.00 0.00 6.98 9.28 0.00 0.00 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 W 8.78 4.32 0.00 3.77 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.02 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.98 4.64 0.00 2.76 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 M 8.51 4.41 0.00 2.22 2.63 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.60 0.00 78 F 8.43 4.50 0.00 3.02 3.11 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 79 G 8.49 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 4.66 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 81 S 7.81 3.95 0.00 3.92 4.13 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 0.00 0.00 0.00 82 A 7.83 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 83 D 7.96 4.32 0.00 2.80 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 84 K 8.21 3.95 0.00 1.92 1.82 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.59 7.81 85 I 7.90 3.84 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.80 1.07 0.00 0.00 86 S 8.78 4.29 0.00 3.90 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 87 A 7.88 3.97 1.34 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 0.00 0.00 0.00 88 K 7.84 3.85 0.00 1.56 1.41 0.00 1.52 0.00 0.00 1.13 0.00 0.00 2.73 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 1.04 7.81 89 Y 7.83 4.48 0.00 3.13 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 90 E 7.91 3.87 0.00 2.13 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 2.25 2.25 0.00 91 V 7.02 4.57 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 0.99 0.00 0.00 0.96 0.00 0.00 92 P 0.00 4.44 0.00 2.09 2.16 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.96 0.00 93 I 8.23 4.37 1.90 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 1.23 0.55 0.99 0.00 0.00 94 V 9.09 3.83 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 0.46 0.00 0.00 0.88 0.00 0.00 95 S 7.68 4.94 0.00 4.35 4.31 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 96 K 8.90 5.08 0.00 1.63 1.19 0.00 1.64 0.00 0.00 1.34 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.01 1.31 7.81 97 F 8.23 5.23 0.00 3.26 3.08 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 98 E 9.11 5.00 0.00 2.06 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 2.45 2.30 0.00 99 L 8.73 3.62 0.00 1.87 1.09 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 100 S 9.09 4.77 0.00 4.07 4.05 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 0.00 0.00 0.00 0.00 101 G 8.55 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 0.00 102 T 8.78 4.52 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 103 N 8.53 4.35 0.00 2.76 2.91 0.00 0.00 6.82 6.92 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 0.00 104 N 8.14 4.45 0.00 2.77 2.90 0.00 0.00 7.16 8.08 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 0.00 105 D 8.32 4.57 0.00 3.08 2.82 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 0.00 106 V 7.96 3.44 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 0.79 0.00 0.00 0.54 0.00 0.00 107 E 8.35 3.99 0.00 2.17 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 2.36 2.63 0.00 108 Y 8.61 4.10 0.00 3.23 3.29 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 0.00 109 F 8.68 4.06 0.00 3.54 3.38 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 0.00 110 K 8.32 3.98 0.00 2.05 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.83 7.81 111 E 8.41 3.90 0.00 1.91 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 2.44 0.00 112 R 7.92 3.73 0.00 1.51 1.69 0.00 3.05 0.00 0.00 2.69 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.72 0.00 113 V 7.65 3.40 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 0.98 0.00 0.00 0.00 0.00 0.00 114 R 7.85 3.93 0.00 1.99 1.93 0.00 3.20 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 115 E 7.83 4.06 0.00 2.11 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 2.27 2.54 0.00 116 I 7.49 3.69 1.89 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 1.38 0.48 0.89 0.00 0.00 117 A 8.20 4.12 1.29 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 0.00 0.00 118 T 7.53 4.03 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 1.29 0.00 0.00 *119 H 8.04 4.52 0.00 2.70 2.92 0.00 5.87 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.