NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 A 4.2974 8.2601 123.5894 51.7543 19.6162 176.6817 41 A 4.1804 8.5381 126.3386 50.9391 19.1378 174.3968 42 P 4.5100 0.0000 0.0000 62.2048 32.9773 174.7610 43 E 4.3191 8.3975 119.4443 56.2063 30.0137 176.9980 44 S 4.8443 8.6165 115.7339 57.9294 64.5485 172.8050 45 F 5.0370 8.5097 114.0632 56.2766 41.5939 173.1930 46 D 4.9564 8.7208 118.3789 53.9439 43.4736 173.9121 47 E 4.7792 9.2715 123.4466 55.7350 33.8811 174.1341 48 V 4.6366 8.3805 119.7829 61.3016 32.6635 173.9543 49 Y 4.6075 9.3660 129.2947 56.6732 40.6572 175.6288 50 K 3.4981 9.2474 128.1503 57.5102 29.5581 175.9903 51 G 3.9501 8.1680 103.1614 45.7137 0.0000 173.3795 52 R 4.6468 7.8905 118.9580 53.9317 33.3224 174.5380 53 R 4.7965 8.8605 123.0408 55.8922 31.4166 174.9762 54 I 5.2082 9.0847 120.4671 59.3713 40.4925 174.6081 55 Q 4.5969 9.1807 123.3866 54.1042 33.4122 174.3404 56 G 4.1209 7.4809 107.8185 44.7230 0.0000 171.6445 57 R 4.7753 7.4461 116.9195 53.7617 32.9591 172.6793 58 P 4.3104 0.0000 0.0000 63.2949 31.7882 173.8263 59 A 4.3847 9.2649 121.2384 53.3762 22.2395 177.3118 *71 G 4.1571 7.7241 101.9094 45.3560 0.0000 171.0166 72 Y 5.2272 7.9366 120.9962 56.1592 42.6523 173.2127 73 E 4.6831 8.7400 125.4831 54.4781 33.0587 175.1521 74 V 4.8414 7.7678 121.4785 61.1753 35.6519 174.0356 75 F 5.2326 9.3588 124.4071 55.6802 43.5178 173.9828 76 V 4.6425 9.0301 123.0577 61.1295 33.5987 175.3459 77 D 4.2068 10.1368 131.0603 55.5665 38.6587 175.4417 78 G 3.9132 8.4328 105.2877 45.4362 0.0000 173.5775 79 V 4.3673 7.4808 120.5768 60.6319 32.9240 174.8199 80 Q 3.8997 8.7797 128.5340 55.9071 29.4846 174.5675 81 L 4.6273 8.2211 127.4876 53.1668 43.9867 175.3695 82 H 4.3027 8.8774 127.1840 56.5628 30.7211 174.3342 83 V 5.1218 8.2649 117.9369 59.9022 35.7040 174.5447 84 M 4.8169 9.2783 121.5505 54.0085 35.9664 173.5991 85 R 3.8084 8.0642 124.8074 54.5613 31.7821 175.2763 86 N 4.6633 8.5072 123.1883 51.6529 40.4150 175.9279 87 A 3.8921 8.6870 123.9438 55.6543 18.3341 178.6222 88 D 4.4680 7.8697 111.5300 53.8476 39.6500 177.1823 89 G 3.8183 8.2993 110.0455 45.1344 0.0000 173.9095 90 S 4.6911 8.1607 115.0320 57.8367 65.0455 172.9539 91 W 5.4621 9.7520 119.4402 54.9731 33.3501 174.6683 92 I 5.1479 8.7910 114.5696 59.5506 41.3874 173.6267 93 S 5.2767 8.4070 116.6158 56.2953 66.4237 175.4566 94 V 3.7636 8.6392 119.3272 64.2351 31.0954 177.5317 95 V 4.1077 7.5366 111.9778 61.9410 32.2657 176.7882 96 S 4.7141 7.7143 114.3763 57.9489 63.2550 173.7453 97 H 4.3090 8.0368 119.1900 56.9921 30.4049 174.6777 98 Y 4.7946 7.8616 113.9176 58.2266 39.0510 175.2185 99 D 4.7828 7.8408 120.2299 51.1036 41.4699 172.5547 100 P 4.6190 0.0000 0.0000 62.1882 32.3077 176.4498 101 V 4.6061 8.6543 115.6815 58.4813 34.9039 175.1700 102 P 4.1284 0.0000 0.0000 65.5844 31.4993 176.7976 103 T 4.5689 7.3847 107.3977 58.2556 73.1600 172.7986 104 P 3.5783 0.0000 0.0000 65.3397 31.0442 179.0178 105 R 2.8708 7.2148 116.8620 58.8074 29.8193 178.2330 106 A 3.7315 7.7290 120.5188 54.9600 18.3060 179.4995 107 A 3.8876 7.8496 119.0699 55.0822 18.4441 179.7343 108 A 3.9568 8.0535 119.5248 55.5044 18.4685 180.1488 109 R 3.3705 7.9853 116.6122 59.0356 29.8933 179.1812 110 A 3.9835 8.1422 120.5413 54.9339 18.2809 179.5746 111 A 3.9428 8.1045 119.3952 55.3773 18.0168 179.9645 112 V 3.6480 8.0163 116.7917 66.2543 31.3632 177.9142 113 D 4.4674 8.2627 117.7371 57.5313 40.8126 178.1638 114 E 4.1190 8.2160 118.4776 59.2738 29.9061 178.5569 115 L 4.0758 8.5728 119.4400 55.5183 41.9221 177.1672 116 Q 3.4593 8.8671 115.5782 56.8568 26.7366 174.6973 117 G 3.9708 8.3861 105.3567 45.2565 0.0000 174.1938 118 A 4.1623 7.5485 122.6705 51.3935 18.9365 175.6501 119 P 4.5356 0.0000 0.0000 62.0640 32.2757 176.6126 120 L 4.3213 8.2362 121.2027 54.5643 42.5735 177.2245 121 L 4.2824 8.3188 119.7002 55.0755 41.7748 176.7762 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 40 A 8.26 4.30 1.31 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 0.00 0.00 41 A 8.54 4.18 1.47 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 42 P 0.00 4.51 0.00 1.68 1.87 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.20 0.00 43 E 8.40 4.32 0.00 2.03 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 2.35 2.28 0.00 44 S 8.62 4.84 0.00 3.94 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 45 F 8.51 5.04 0.00 3.15 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 46 D 8.72 4.96 0.00 2.61 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 47 E 9.27 4.78 0.00 2.15 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 2.39 2.40 0.00 48 V 8.38 4.64 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 0.84 0.00 0.00 0.96 0.00 0.00 49 Y 9.37 4.61 0.00 3.19 2.83 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 50 K 9.25 3.50 0.00 1.49 1.58 0.00 1.69 0.00 0.00 1.51 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.87 0.21 7.81 51 G 8.17 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 52 R 7.89 4.65 0.00 2.02 1.96 0.00 3.15 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 53 R 8.86 4.80 0.00 1.95 1.83 0.00 3.04 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 54 I 9.08 5.21 2.16 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 1.51 0.98 1.06 0.00 0.00 55 Q 9.18 4.60 0.00 1.93 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 56 G 7.48 4.12 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 0.00 0.00 0.00 57 R 7.45 4.78 0.00 1.67 1.77 0.00 2.69 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.39 0.00 58 P 0.00 4.31 0.00 2.14 2.23 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 59 A 9.26 4.38 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 *71 G 7.72 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 72 Y 7.94 5.23 0.00 3.31 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.74 4.68 0.00 1.75 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 2.24 2.13 0.00 74 V 7.77 4.84 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 1.11 0.00 0.00 1.11 0.00 0.00 75 F 9.36 5.23 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 76 V 9.03 4.64 2.15 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 1.06 0.00 0.00 1.00 0.00 0.00 77 D 10.14 4.21 0.00 2.84 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 78 G 8.43 3.91 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 0.00 0.00 0.00 79 V 7.48 4.37 2.24 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 1.00 0.00 0.00 1.03 0.00 0.00 80 Q 8.78 3.90 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.52 0.00 0.00 0.00 0.00 0.00 1.97 1.33 0.00 81 L 8.22 4.63 0.00 1.59 1.48 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.88 4.30 0.00 3.24 3.17 0.00 5.66 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.26 5.12 2.35 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 0.86 0.00 0.00 1.09 0.00 0.00 84 M 9.28 4.82 0.00 1.93 1.83 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 2.44 2.34 0.00 85 R 8.06 3.81 0.00 0.67 1.10 0.00 2.90 0.00 0.00 2.91 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 86 N 8.51 4.66 0.00 2.60 2.59 0.00 0.00 6.66 7.71 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 87 A 8.69 3.89 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 88 D 7.87 4.47 0.00 2.76 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 89 G 8.30 3.82 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 0.00 0.00 0.00 90 S 8.16 4.69 0.00 4.07 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 0.00 91 W 9.75 5.46 0.00 3.15 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 92 I 8.79 5.15 1.85 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.18 0.85 0.00 0.00 93 S 8.41 5.28 0.00 3.98 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 94 V 8.64 3.76 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 0.74 0.00 0.00 0.93 0.00 0.00 95 V 7.54 4.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.97 0.00 0.00 96 S 7.71 4.71 0.00 3.86 3.71 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 97 H 8.04 4.31 0.00 2.93 2.53 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 7.86 4.79 0.00 2.94 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.84 4.78 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.62 0.00 2.08 1.96 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 101 V 8.65 4.61 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 1.04 0.00 0.00 102 P 0.00 4.13 0.00 2.17 2.19 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 103 T 7.38 4.57 3.96 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 1.13 0.00 0.00 104 P 0.00 3.58 0.00 1.74 1.05 0.00 3.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.44 0.00 105 R 7.21 2.87 0.00 0.67 1.31 0.00 3.01 0.00 0.00 2.84 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.80 0.00 106 A 7.73 3.73 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 0.00 107 A 7.85 3.89 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.05 3.96 1.47 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 0.00 109 R 7.99 3.37 0.00 1.54 0.93 0.00 2.72 0.00 0.00 2.50 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.29 0.00 110 A 8.14 3.98 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 0.00 111 A 8.10 3.94 1.44 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 0.00 112 V 8.02 3.65 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 1.17 0.00 0.00 1.13 0.00 0.00 113 D 8.26 4.47 0.00 2.98 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 0.00 114 E 8.22 4.12 0.00 2.14 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 0.00 2.36 2.53 0.00 115 L 8.57 4.08 0.00 1.75 1.89 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.87 3.46 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.52 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 117 G 8.39 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 0.00 118 A 7.55 4.16 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 0.00 119 P 0.00 4.54 0.00 2.08 2.01 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 120 L 8.24 4.32 0.00 1.67 1.62 0.95 0.99 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 0.00 121 L 8.32 4.28 0.00 1.64 1.58 0.93 0.84 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 * Residues marked with a * may have inaccurate shift predictions.