NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2400 8.2993 121.7878 56.2477 33.3455 174.7583 7 S 4.6732 8.3633 119.6863 56.2449 65.8380 171.7272 8 H 4.7208 9.2066 118.9806 54.4059 32.8555 175.0740 9 N 4.6965 8.5383 122.6884 51.8773 37.1401 175.6379 10 L 4.1054 8.2092 122.6916 56.6129 42.1310 178.1328 11 L 4.5367 7.8364 117.0495 54.1631 41.8358 175.2320 12 E 4.4663 7.9659 119.7300 55.6045 31.3163 175.5143 13 A 3.7785 8.6350 127.1177 52.9077 16.3111 177.6145 14 V 3.5721 7.7115 119.1639 63.5813 32.5028 174.9405 15 R 4.5552 8.1353 125.3127 54.3865 32.0074 175.3513 16 F 4.9121 8.6822 120.7546 55.5937 41.0147 174.2834 17 D 4.8600 8.3725 120.4226 52.5016 43.8374 176.2742 18 D 4.6875 8.9610 126.1329 57.0500 41.1289 177.3597 19 Q 4.3447 8.6253 117.5855 57.2172 29.4628 175.6026 20 R 4.6022 7.2503 112.1356 54.4189 32.3131 174.4722 21 F 4.6821 8.5529 114.1731 57.4968 38.8722 174.5501 22 V 4.1397 8.4562 120.7442 61.2878 34.8710 173.7627 *24 E 4.2366 8.3852 119.3391 55.8198 30.8925 175.3645 25 L 4.1743 8.4263 126.8875 55.3593 42.3029 176.1684 26 V 3.9304 8.6350 126.9174 64.9434 32.6090 175.4979 27 H 4.8496 7.6194 117.6586 55.0933 33.2455 171.8025 28 E 5.1623 8.3240 124.9688 54.8899 32.6130 174.2582 29 S 4.6149 8.7436 120.4321 57.0775 66.1349 173.6578 30 E 4.0950 8.7048 117.3994 59.2764 29.4843 177.9737 31 N 4.4281 7.9073 116.5910 55.5049 39.1525 174.8192 32 F 5.1153 7.6327 110.0989 56.0383 41.2163 172.6201 33 K 5.0829 8.8450 121.1911 54.7319 34.8753 174.7208 34 I 4.9506 9.1769 128.1982 59.6156 40.4684 174.9360 35 V 4.8344 8.8347 119.9537 59.5122 35.8649 174.7344 36 S 5.1803 8.7982 119.1301 56.7795 65.3764 173.4381 37 F 4.8579 8.9854 119.7558 55.9797 42.5748 174.0067 38 T 4.6294 8.7072 119.9983 61.6213 71.2457 172.9650 39 F 5.5860 8.7903 124.4288 55.5606 42.6132 175.3374 40 K 4.3118 9.6937 122.3218 55.4822 32.7664 176.4608 41 A 4.1594 8.6704 124.5600 54.5307 18.4781 177.8200 42 G 4.0471 9.0963 112.2812 45.3659 0.0000 173.9660 43 Q 4.4967 8.1824 118.4442 56.1178 30.1756 174.8886 44 E 4.7419 8.6969 120.2040 54.8108 33.3405 174.1092 45 L 4.1432 8.6857 128.4733 52.7181 43.1095 174.0315 46 P 4.6998 0.0000 0.0000 62.3631 32.1903 176.7254 47 V 3.9107 8.2866 123.0983 63.9266 32.0314 174.6052 48 H 5.0186 8.7997 122.2597 55.0943 32.3811 171.9738 49 S 5.0257 8.0663 111.3973 57.9355 65.4960 173.6882 50 H 4.8243 8.8699 117.6758 53.9558 32.1615 173.9578 51 N 4.9453 8.6840 121.8082 51.7386 36.9174 173.9530 52 I 4.6399 7.0976 118.3190 58.9797 41.7404 174.2982 53 E 4.0715 8.4526 124.8198 56.7495 30.1243 175.7424 54 G 4.2191 7.8370 106.2017 43.5472 0.0000 172.0831 55 E 5.3363 9.1700 119.1261 54.3842 34.4194 174.8731 56 L 5.4280 8.9778 120.8529 54.0285 44.4725 175.0481 57 N 5.5391 9.1421 117.1002 51.2919 40.9691 173.1564 58 I 5.0455 8.7384 121.6548 59.6557 40.6664 174.4032 59 V 4.8300 8.9819 127.7707 61.0334 34.1056 174.5757 60 V 4.3212 8.7531 128.6353 62.4059 31.5952 176.2674 61 L 4.2465 8.8811 129.6379 57.0799 42.3866 177.5221 62 E 4.5471 8.1748 116.7780 55.9167 32.5362 175.7947 63 G 4.1609 9.0089 112.6026 45.6026 0.0000 171.4196 64 E 4.9050 8.8762 116.8504 55.1014 34.0148 175.5764 65 G 4.0624 8.7318 109.8757 45.7181 0.0000 170.9835 66 E 4.9772 8.7695 120.0430 54.5391 34.1436 175.1495 67 F 4.8928 8.9234 123.3908 57.1185 40.7003 174.7265 68 V 4.7648 9.0277 123.5146 61.3544 34.2530 174.9614 69 G 4.1024 8.9803 116.4647 43.6579 0.0000 171.0460 70 D 4.2821 8.6089 118.8717 55.6432 41.7003 177.9030 71 G 3.9191 9.1458 112.8570 46.2169 0.0000 173.0959 72 D 4.3941 8.0105 115.6492 54.4541 40.3744 173.6390 73 A 4.2726 7.6727 119.1928 51.6762 19.3746 177.8573 74 V 4.9816 8.3377 113.6215 59.5681 35.5506 175.2228 75 I 4.6024 8.6798 123.9032 58.6978 40.2726 173.3723 76 P 4.3838 0.0000 0.0000 63.2162 31.9700 176.6037 77 A 4.5520 8.7908 125.1762 49.2104 18.8010 173.5409 78 P 4.6901 0.0000 0.0000 61.1188 33.8292 176.6961 79 R 4.0467 7.6406 121.1405 58.2837 30.1150 176.8606 80 G 3.9509 9.1587 113.5365 44.9815 0.0000 173.3896 81 A 4.4908 8.0567 122.5255 51.7298 19.8222 177.0454 82 V 4.9053 8.3297 119.7574 59.8439 34.1588 174.4829 83 L 4.1505 8.5442 127.6680 53.1261 43.7438 174.9928 84 V 4.8465 8.0116 125.0920 61.1328 33.9563 174.2146 85 A 4.6552 8.6266 127.4413 49.9894 23.2886 174.0459 86 P 4.7038 0.0000 0.0000 62.4064 32.3356 178.1159 87 I 3.7697 8.5295 122.9354 64.4395 37.1379 178.2615 88 S 4.7032 7.8852 111.7414 59.0452 63.4704 173.7258 89 T 4.4142 7.4172 119.0138 61.7469 68.8951 173.1009 90 P 4.5525 0.0000 0.0000 63.6014 32.5262 174.9487 91 H 5.1292 9.1018 119.5643 54.3798 32.4503 172.7702 92 G 4.5214 9.3054 107.7416 45.4073 0.0000 171.1603 93 V 4.8802 8.4574 118.4094 61.0347 35.2517 173.9129 94 R 4.5813 8.7419 127.5594 54.2520 33.1668 173.8282 95 A 4.4302 8.3129 128.4095 51.4404 19.8101 177.7458 96 V 3.7108 8.6380 123.9554 65.1577 32.2341 176.3986 97 T 4.5171 7.5547 107.5549 59.2283 71.2769 173.3510 98 D 4.9703 8.2336 120.2593 53.9843 41.4880 175.6822 *100 K 4.6252 8.2853 121.1104 56.6786 33.6463 174.8844 101 V 5.0947 8.9401 119.5078 59.4804 36.2222 174.0417 102 L 5.1169 9.0755 124.9557 53.3258 44.7510 175.1206 103 V 4.9754 9.1812 126.3627 61.4418 34.3163 174.0609 104 T 4.9413 8.7150 124.2478 61.7619 71.4898 173.0808 105 I 4.9965 8.9012 126.8926 59.4210 40.5561 174.6383 106 A 4.9384 9.1263 128.6756 49.8561 22.1460 173.9587 107 P 4.8682 0.0000 0.0000 61.4674 32.4728 174.9198 108 P 4.4584 0.0000 0.0000 62.6294 32.0998 176.5754 109 I 3.9093 8.2070 119.8321 61.8353 37.0186 176.0139 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 K 8.30 4.24 0.00 1.71 1.80 0.00 1.50 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.31 7.81 7 S 8.36 4.67 0.00 4.03 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 8 H 9.21 4.72 0.00 3.07 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.54 4.70 0.00 2.80 2.77 0.00 0.00 7.14 6.74 0.00 0.00 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 L 8.21 4.11 0.00 1.62 1.70 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.84 4.54 0.00 1.63 1.69 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.97 4.47 0.00 1.94 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 2.23 2.23 0.00 13 A 8.63 3.78 1.30 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 14 V 7.71 3.57 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 0.33 0.00 0.00 0.94 0.00 0.00 15 R 8.14 4.56 0.00 1.67 1.74 0.00 3.17 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.73 0.00 16 F 8.68 4.91 0.00 3.01 2.97 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 17 D 8.37 4.86 0.00 2.62 2.71 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 18 D 8.96 4.69 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.63 4.34 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 20 R 7.25 4.60 0.00 1.99 1.76 0.00 3.19 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.42 0.00 21 F 8.55 4.68 0.00 2.78 3.31 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 22 V 8.46 4.14 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 0.90 0.00 0.00 0.90 0.00 0.00 *24 E 8.39 4.24 0.00 1.82 1.78 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 2.19 2.18 0.00 25 L 8.43 4.17 0.00 1.56 1.51 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.64 3.93 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 0.48 0.00 0.00 0.79 0.00 0.00 27 H 7.62 4.85 0.00 3.21 2.99 0.00 5.87 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.32 5.16 0.00 1.92 1.70 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 2.18 2.30 0.00 29 S 8.74 4.61 0.00 4.01 3.86 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 0.00 0.00 0.00 0.00 30 E 8.70 4.10 0.00 2.08 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 2.25 2.30 0.00 31 N 7.91 4.43 0.00 2.28 2.41 0.00 0.00 6.82 8.62 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 32 F 7.63 5.12 0.00 3.01 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 33 K 8.84 5.08 0.00 1.89 1.71 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.37 7.81 34 I 9.18 4.95 1.71 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.03 0.79 0.00 0.00 35 V 8.83 4.83 1.70 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 0.66 0.00 0.00 1.07 0.00 0.00 36 S 8.80 5.18 0.00 3.71 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 37 F 8.99 4.86 0.00 2.85 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 0.00 0.00 0.00 38 T 8.71 4.63 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 0.31 0.00 0.00 39 F 8.79 5.59 0.00 3.04 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 40 K 9.69 4.31 0.00 1.90 1.75 0.00 1.26 0.00 0.00 1.49 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.66 1.58 7.81 41 A 8.67 4.16 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 42 G 9.10 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 0.00 0.00 0.00 43 Q 8.18 4.50 0.00 2.51 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.66 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 44 E 8.70 4.74 0.00 1.88 1.80 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 2.16 2.38 0.00 45 L 8.69 4.14 0.00 1.34 1.24 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.70 0.00 2.01 2.01 0.00 3.80 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 47 V 8.29 3.91 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 0.76 0.00 0.00 1.01 0.00 0.00 48 H 8.80 5.02 0.00 3.11 3.29 0.00 5.36 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.07 5.03 0.00 3.96 3.85 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 50 H 8.87 4.82 0.00 3.17 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.68 4.95 0.00 2.71 2.80 0.00 0.00 6.75 7.45 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 52 I 7.10 4.64 1.90 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 1.43 0.60 0.95 0.00 0.00 53 E 8.45 4.07 0.00 2.00 1.87 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 2.32 2.25 0.00 54 G 7.84 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 0.00 0.00 0.00 0.00 55 E 9.17 5.34 0.00 1.85 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 2.29 2.22 0.00 56 L 8.98 5.43 0.00 1.74 1.68 0.77 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 57 N 9.14 5.54 0.00 2.85 2.87 0.00 0.00 7.03 8.35 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 58 I 8.74 5.05 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.74 1.15 0.00 0.00 59 V 8.98 4.83 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 1.03 0.00 0.00 0.95 0.00 0.00 60 V 8.75 4.32 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 1.02 0.00 0.00 0.93 0.00 0.00 61 L 8.88 4.25 0.00 1.70 1.73 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.17 4.55 0.00 1.90 1.82 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 2.29 2.45 0.00 63 G 9.01 4.16 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 0.00 64 E 8.88 4.90 0.00 1.80 1.72 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 2.18 2.23 0.00 65 G 8.73 4.06 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 0.00 66 E 8.77 4.98 0.00 1.69 1.68 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 2.11 2.14 0.00 67 F 8.92 4.89 0.00 2.98 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 68 V 9.03 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 0.93 0.00 0.00 0.86 0.00 0.00 69 G 8.98 4.10 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 0.00 0.00 0.00 70 D 8.61 4.28 0.00 2.75 2.54 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 71 G 9.15 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 72 D 8.01 4.39 0.00 2.74 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 73 A 7.67 4.27 1.28 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 0.00 0.00 0.00 74 V 8.34 4.98 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 0.81 0.00 0.00 0.97 0.00 0.00 75 I 8.68 4.60 2.15 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.73 1.05 0.00 0.00 76 P 0.00 4.38 0.00 1.92 1.97 0.00 3.64 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 2.03 2.09 0.00 77 A 8.79 4.55 0.05 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 0.00 0.00 78 P 0.00 4.69 0.00 2.12 2.18 0.00 3.73 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 2.08 1.97 0.00 79 R 7.64 4.05 0.00 2.07 1.91 0.00 3.38 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 80 G 9.16 3.95 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 0.00 0.00 0.00 81 A 8.06 4.49 1.54 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 0.00 0.00 82 V 8.33 4.91 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 0.74 0.00 0.00 0.90 0.00 0.00 83 L 8.54 4.15 0.00 0.27 0.73 0.46 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.01 4.85 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 0.86 0.00 0.00 0.87 0.00 0.00 85 A 8.63 4.66 1.09 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 0.00 0.00 0.00 86 P 0.00 4.70 0.00 2.18 1.97 0.00 3.58 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 87 I 8.53 3.77 1.90 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 1.37 0.66 1.05 0.00 0.00 88 S 7.89 4.70 0.00 3.99 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 89 T 7.42 4.41 4.38 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 1.20 0.00 0.00 90 P 0.00 4.55 0.00 2.04 1.96 0.00 3.56 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 91 H 9.10 5.13 0.00 3.06 3.27 0.00 5.25 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 92 G 9.31 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.46 4.88 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.94 0.00 0.00 94 R 8.74 4.58 0.00 1.72 1.55 0.00 3.26 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 95 A 8.31 4.43 1.28 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 0.00 0.00 0.00 96 V 8.64 3.71 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 0.76 0.00 0.00 0.85 0.00 0.00 97 T 7.55 4.52 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 1.20 0.00 0.00 98 D 8.23 4.97 0.00 2.82 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 *100 K 8.29 4.63 0.00 1.84 1.75 0.00 1.51 0.00 0.00 1.86 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.60 7.81 101 V 8.94 5.09 2.34 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 0.82 0.00 0.00 1.27 0.00 0.00 102 L 9.08 5.12 0.00 1.71 1.50 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 103 V 9.18 4.98 2.32 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 1.12 0.00 0.00 1.16 0.00 0.00 104 T 8.72 4.94 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 1.06 0.00 0.00 105 I 8.90 5.00 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.90 0.99 0.00 0.00 106 A 9.13 4.94 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 0.00 107 P 0.00 4.87 0.00 1.96 2.00 0.00 3.70 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 2.03 2.08 0.00 108 P 0.00 4.46 0.00 2.21 2.11 0.00 3.82 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 109 I 8.21 3.91 1.82 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.51 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.