NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 50 T 4.3366 8.0333 115.5052 61.8296 68.8332 173.4240 51 Q 4.6690 8.2152 127.9366 53.9309 30.0726 173.8430 52 G 4.2623 8.4247 110.7011 46.5313 0.0000 170.9322 53 F 5.3448 8.3709 118.6811 55.8165 41.9290 175.1609 54 A 5.1084 9.1602 122.1582 50.4743 23.3344 175.5464 55 V 4.6810 8.7305 120.5981 61.2526 33.8233 173.9553 56 L 5.2778 9.0627 131.9971 53.5404 43.7818 175.3402 57 S 5.6773 9.0289 120.2952 56.0537 66.9514 172.4198 58 Y 5.2451 7.3502 117.9914 57.0199 40.9708 172.2773 59 V 5.2300 8.7159 119.3136 61.5606 35.0998 173.7150 60 Y 4.9374 8.0221 120.0875 56.1753 41.5853 172.8396 61 E 4.9594 9.3341 121.5522 56.1438 29.3537 176.6135 62 H 3.8794 9.0789 123.7430 59.3852 28.9081 176.8457 63 E 4.2603 7.7159 116.4934 55.7601 27.6250 179.8873 *80 D 4.6678 7.7260 120.4526 53.9259 43.7633 175.3984 81 L 4.5889 7.4042 117.3600 54.3688 43.0783 175.7186 82 S 4.4551 7.9528 114.5482 58.3936 62.5329 173.1814 83 V 4.2117 8.4534 127.1167 63.6263 32.4471 175.6968 84 A 4.5065 7.2343 117.9788 51.5017 22.1030 174.7537 85 T 5.0324 8.7261 117.1565 61.6039 72.1782 173.0727 86 L 4.8240 9.0921 127.8020 53.5617 44.8062 174.6512 87 H 5.3567 8.8053 122.0961 54.1660 32.0571 173.5871 88 V 4.3471 8.3934 121.3779 61.8315 35.1752 173.1778 89 H 4.8171 8.8222 125.9592 55.5934 29.0925 175.2883 90 I 4.2860 8.5910 116.5100 59.5893 37.7536 174.9833 91 N 4.3212 7.6195 120.2379 52.8613 38.4130 174.8232 92 H 4.1663 9.1757 114.9986 58.5705 28.6809 175.6220 93 D 4.6305 8.0805 117.8757 55.4748 42.8309 176.6348 94 D 5.1604 9.8738 118.5098 53.3180 43.2373 175.4105 95 C 5.0724 8.6740 121.9298 57.4551 34.9536 172.1840 96 L 4.9780 9.1801 128.9165 53.5707 43.9324 174.5304 97 E 4.9509 8.9031 126.6591 54.2803 33.0997 174.2518 98 I 4.9347 9.0352 127.0112 59.5492 40.4692 174.0802 99 A 4.9529 9.4545 130.6963 50.0756 21.4439 175.2128 100 V 4.5541 8.7317 123.7742 61.8972 32.9919 175.0102 101 L 5.2188 9.1614 127.8775 53.0885 45.0663 175.3706 102 K 4.3609 8.6192 121.1424 55.2047 35.3670 176.4868 103 G 3.4652 7.9487 113.0013 44.5628 0.0000 171.5254 104 D 4.5404 8.5139 121.5179 54.7197 42.0590 177.9055 105 M 4.1833 8.9599 128.1719 58.1463 32.0487 179.1538 106 G 3.5895 8.1774 105.6839 47.9231 0.0000 175.4157 107 D 4.4252 7.9951 121.4836 56.8801 40.9260 178.4762 108 V 3.6943 8.0734 119.0953 66.5676 31.3017 178.0977 109 Q 4.0526 8.3304 117.4067 59.2433 28.4258 178.2676 110 H 4.5924 8.1790 119.0173 59.1319 30.0251 176.7282 111 F 3.8779 9.2466 122.8786 61.4069 39.1924 177.1885 112 A 4.1208 8.9395 120.2920 55.3881 18.0444 179.0639 113 D 4.3281 8.7851 117.0196 57.7606 41.2367 178.7747 114 D 4.3639 8.1789 119.1796 57.3533 40.7327 178.8286 115 V 3.2435 7.2460 118.4399 66.2485 31.1878 178.1544 116 I 3.5703 7.4331 117.6083 64.0463 36.9654 177.7570 117 A 4.1437 7.6056 120.0282 52.7846 19.0332 177.8835 118 Q 3.9118 7.4181 120.3283 56.0179 29.3315 176.9023 119 R 4.1715 8.3614 121.2335 57.6874 29.8371 173.8635 120 G 4.1387 9.0144 110.9880 44.7063 0.0000 173.9426 121 V 4.0797 7.5047 119.8152 62.2314 32.0665 175.3408 122 R 4.6396 9.1054 125.9625 55.2928 33.1705 174.8251 123 H 4.2986 8.7336 113.6694 56.7337 26.4836 175.4936 124 G 3.9716 8.2093 105.5070 46.7306 0.0000 173.4410 125 H 5.2162 9.5564 123.9306 54.4235 34.2193 171.7167 126 L 5.0812 7.8050 123.5774 53.5371 45.2902 174.8518 127 Q 4.5640 8.8615 127.6427 54.5728 30.9841 174.2088 128 C 4.7622 8.6617 124.3275 59.0588 29.6585 174.1823 129 L 4.7702 8.7595 120.4334 52.4520 40.9584 175.2339 130 P 4.0615 0.0000 0.0000 67.3083 32.0978 177.5505 131 K 4.2103 8.3539 121.7520 54.7822 31.7917 177.0989 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 50 T 8.03 4.34 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 1.20 0.00 0.00 51 Q 8.22 4.67 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.09 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 52 G 8.42 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 0.00 0.00 0.00 0.00 53 F 8.37 5.34 0.00 3.00 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 54 A 9.16 5.11 1.20 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 55 V 8.73 4.68 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 0.97 0.00 0.00 0.97 0.00 0.00 56 L 9.06 5.28 0.00 1.90 1.77 1.14 0.87 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 57 S 9.03 5.68 0.00 3.88 3.90 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 58 Y 7.35 5.25 0.00 3.27 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 59 V 8.72 5.23 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 1.07 0.00 0.00 1.05 0.00 0.00 60 Y 8.02 4.94 0.00 3.16 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 61 E 9.33 4.96 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.15 0.00 62 H 9.08 3.88 0.00 3.28 3.33 0.00 5.53 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.72 4.26 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 2.23 1.87 0.00 *80 D 7.73 4.67 0.00 2.66 2.75 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 81 L 7.40 4.59 0.00 1.33 1.65 0.79 0.63 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 82 S 7.95 4.46 0.00 3.82 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 83 V 8.45 4.21 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 0.89 0.00 0.00 1.03 0.00 0.00 84 A 7.23 4.51 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 85 T 8.73 5.03 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 1.30 0.00 0.00 86 L 9.09 4.82 0.00 1.69 1.46 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.81 5.36 0.00 2.97 3.11 0.00 5.94 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 88 V 8.39 4.35 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 0.88 0.00 0.00 0.90 0.00 0.00 89 H 8.82 4.82 0.00 3.05 3.14 0.00 5.73 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.59 4.29 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 1.39 0.61 0.89 0.00 0.00 91 N 7.62 4.32 0.00 3.03 2.98 0.00 0.00 5.91 7.90 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 92 H 9.18 4.17 0.00 3.29 3.47 0.00 5.50 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.08 4.63 0.00 2.66 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 94 D 9.87 5.16 0.00 2.59 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.67 5.07 0.00 2.72 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 0.00 0.00 0.00 0.00 96 L 9.18 4.98 0.00 1.72 1.59 0.93 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.90 4.95 0.00 1.89 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 1.89 2.04 0.00 98 I 9.04 4.93 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 1.12 0.45 0.91 0.00 0.00 99 A 9.45 4.95 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 0.00 100 V 8.73 4.55 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 1.16 0.00 0.00 0.96 0.00 0.00 101 L 9.16 5.22 0.00 1.50 1.36 0.82 0.48 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 0.00 102 K 8.62 4.36 0.00 1.33 1.34 0.00 1.51 0.00 0.00 1.50 0.00 0.00 2.71 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.81 0.21 7.81 103 G 7.95 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.51 4.54 0.00 2.72 2.79 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 0.00 105 M 8.96 4.18 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.85 0.00 106 G 8.18 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.00 4.43 0.00 2.81 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 0.00 108 V 8.07 3.69 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 1.03 0.00 0.00 0.89 0.00 0.00 109 Q 8.33 4.05 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 110 H 8.18 4.59 0.00 3.44 3.57 0.00 5.81 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 0.00 111 F 9.25 3.88 0.00 3.10 3.19 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 0.00 112 A 8.94 4.12 1.48 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 0.00 0.00 113 D 8.79 4.33 0.00 2.77 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 0.00 114 D 8.18 4.36 0.00 2.54 2.50 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 0.00 115 V 7.25 3.24 1.81 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 0.45 0.00 0.00 0.47 0.00 0.00 116 I 7.43 3.57 1.95 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 1.44 0.78 0.90 0.00 0.00 117 A 7.61 4.14 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 0.00 118 Q 7.42 3.91 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 119 R 8.36 4.17 0.00 1.83 1.74 0.00 3.23 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 120 G 9.01 4.14 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 0.00 121 V 7.50 4.08 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 0.56 0.00 0.00 0.69 0.00 0.00 122 R 9.11 4.64 0.00 1.72 1.39 0.00 3.26 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.73 0.00 123 H 8.73 4.30 0.00 3.36 3.39 0.00 5.70 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 0.00 124 G 8.21 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 0.00 125 H 9.56 5.22 0.00 3.27 3.16 0.00 5.74 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.81 5.08 0.00 1.62 1.43 1.02 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.86 4.56 0.00 2.29 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 128 C 8.66 4.76 0.00 2.92 2.86 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 0.00 129 L 8.76 4.77 0.00 1.78 1.61 0.95 1.09 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 0.00 130 P 0.00 4.06 0.00 2.05 2.16 0.00 3.68 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 2.06 2.15 0.00 131 K 8.35 4.21 0.00 1.84 1.90 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.17 0.83 7.81 * Residues marked with a * may have inaccurate shift predictions.