NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4661 8.1927 115.2990 57.8532 63.2248 173.5749 4 F 3.9851 9.0887 131.2136 61.1274 38.8644 174.8479 5 L 3.8494 9.1380 121.1123 57.7326 42.3991 178.6410 6 L 3.8459 8.2016 118.9044 57.5287 41.6986 179.5022 7 S 4.0786 7.9846 114.3370 61.9473 62.8120 176.8877 8 K 4.0019 7.5560 121.9219 58.3010 31.7837 179.3633 9 V 3.6311 7.9769 118.9693 65.9243 31.3751 177.5990 10 S 4.1224 8.6159 113.1079 61.7057 62.1930 176.3271 11 F 4.0542 8.1909 122.8677 61.3941 39.1634 177.3337 12 V 3.3722 7.7676 117.4641 65.6191 31.0724 177.8086 13 I 3.7011 7.8218 119.8248 64.3029 37.0110 177.9021 14 K 3.7270 7.8517 120.0059 59.4863 31.9497 178.1841 15 K 3.5143 7.4991 119.5729 59.8282 31.9090 178.6060 16 I 3.5977 7.5492 119.4519 64.2941 37.0932 178.1129 17 R 3.8425 8.1467 119.9576 59.6882 29.7481 178.4324 18 L 3.9254 8.4288 118.5131 57.9864 41.4736 179.1303 19 E 4.0026 8.3814 117.4073 59.4401 29.4075 178.8958 20 K 4.4065 8.5456 115.7902 55.3763 32.0741 176.8914 21 G 4.0461 7.7754 106.7207 46.6409 0.0000 173.1847 22 M 4.5686 7.9702 117.5231 53.5201 34.5233 175.7612 23 T 4.5248 8.0723 115.5558 60.2252 72.6133 175.9135 24 Q 3.9698 8.3240 118.9165 59.1820 28.8404 178.5680 25 E 4.2022 8.1510 118.1229 59.2746 29.5099 178.3639 26 D 4.4104 7.7395 118.6655 57.6781 40.9867 178.8533 27 L 3.9687 8.0192 119.8914 57.8770 42.0727 178.7289 28 A 3.9987 8.6022 121.4574 55.0885 18.1109 179.0628 29 Y 3.9140 8.0349 117.9361 60.8757 38.8237 178.0088 30 K 3.8135 8.2200 118.5600 59.1443 32.3257 178.8777 31 S 4.3963 8.0255 111.4545 58.0127 63.4105 173.7803 32 N 4.0415 7.3439 118.8312 54.4799 36.3554 173.8976 33 L 4.6058 7.3072 117.4918 52.9278 44.3341 175.6515 34 D 4.5860 8.2961 118.7516 53.7606 41.8365 177.2145 35 A 3.9950 9.0439 126.6860 55.8167 18.3381 179.7142 36 T 3.8766 8.1562 109.9762 66.3141 68.5153 176.1976 *37 Y 4.0548 7.8903 123.5258 61.1613 36.7261 179.5296 38 I 3.8742 7.6548 120.0303 64.4745 37.5939 178.0476 39 S 4.3613 8.3064 116.1371 61.6591 62.7265 176.7280 40 G 3.7844 7.9211 107.8235 48.2378 0.0000 175.1399 41 I 3.7932 8.1549 123.1803 64.2681 37.0576 177.7782 42 E 4.2692 7.8286 117.0505 57.5498 29.8758 176.4568 43 R 4.5021 7.8509 115.2781 57.8122 33.5907 176.1711 44 N 4.5152 8.2069 113.9857 53.6049 39.0894 176.1665 45 S 4.4623 7.7787 112.7345 58.0279 60.7407 172.3585 46 R 3.8861 7.7789 120.7762 56.5116 30.6843 175.9776 47 N 4.5062 8.5415 122.1398 53.9371 37.1594 173.2475 48 L 4.3554 7.9963 124.1063 54.6236 42.1621 178.1471 49 T 4.3194 8.1485 112.5765 61.0004 71.4525 175.7175 50 I 3.7328 8.2726 121.9655 64.4714 36.9289 178.8934 51 K 3.9286 7.9457 118.7945 59.6185 32.0324 179.2359 52 S 4.0466 7.7582 115.5076 61.4608 62.7026 176.5000 53 L 3.7992 7.8946 122.8791 58.0973 41.6834 178.6774 54 E 3.7761 8.0061 118.9559 59.1906 29.6207 178.3285 55 L 3.9369 8.4233 119.4349 58.1930 41.6953 179.7522 56 I 3.6520 8.0946 119.4993 64.7664 36.7433 178.3648 57 M 3.9213 8.4843 119.5567 57.9200 31.3293 178.3967 58 K 4.2800 7.6955 118.0333 57.6133 32.6966 178.8132 59 G 3.7801 7.8443 105.6752 48.0813 0.0000 175.4603 60 L 4.1565 8.3182 122.2052 55.3022 42.2441 177.3824 61 E 3.8759 7.6932 114.1097 56.8243 27.5404 180.4423 62 V 4.5338 7.3690 117.7779 59.8221 34.7487 175.9139 63 S 4.4389 8.4280 117.3623 58.1186 64.1000 174.8022 64 D 4.5132 8.6380 119.9785 57.1870 40.5517 179.1234 65 V 3.7087 7.8493 118.3780 66.2861 31.6609 178.3445 66 V 3.6696 7.6149 111.8253 64.2125 31.4056 178.2271 67 F 3.8313 8.0742 119.9003 61.5908 39.2203 177.3868 68 F 4.4514 8.3120 116.9050 60.4026 38.3044 177.6021 69 E 4.0467 8.5246 118.5871 59.7413 28.7587 179.1451 70 M 4.0849 8.1402 118.3883 57.4115 31.9095 178.6223 71 L 3.7953 7.6799 121.0458 58.0874 42.4044 178.4942 72 I 3.7082 7.8404 119.8155 64.6043 37.0512 177.9790 73 K 3.8851 7.7359 119.5184 59.8521 31.7427 178.6317 74 E 4.0031 7.6994 116.7437 59.3457 29.4169 179.0541 75 I 3.9780 7.7438 119.3582 64.3683 37.2483 178.0591 76 L 4.2492 8.3039 119.0497 56.1395 42.0417 178.2000 77 K 4.0900 7.8733 118.6685 56.8545 32.5094 175.8445 78 H 4.7837 7.8382 116.9228 55.2348 31.5800 173.0103 79 D 4.8187 8.8454 118.2604 55.2856 40.5541 173.9101 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 S 8.19 4.47 0.00 3.92 3.88 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 0.00 0.00 0.00 4 F 9.09 3.99 0.00 3.23 3.09 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 5 L 9.14 3.85 0.00 1.89 1.64 0.99 0.73 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 6 L 8.20 3.85 0.00 2.00 1.69 1.02 0.73 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 7 S 7.98 4.08 0.00 4.01 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 0.00 8 K 7.56 4.00 0.00 1.36 1.73 0.00 0.89 0.00 0.00 1.51 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.25 7.81 9 V 7.98 3.63 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 1.12 0.00 0.00 1.07 0.00 0.00 10 S 8.62 4.12 0.00 4.06 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 11 F 8.19 4.05 0.00 3.28 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 12 V 7.77 3.37 1.57 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 0.47 0.00 0.00 0.94 0.00 0.00 13 I 7.82 3.70 2.02 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 1.52 0.77 0.94 0.00 0.00 14 K 7.85 3.73 0.00 1.73 1.65 0.00 1.73 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.45 7.81 15 K 7.50 3.51 0.00 1.28 1.68 0.00 1.54 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.35 7.81 16 I 7.55 3.60 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.86 0.90 0.00 0.00 17 R 8.15 3.84 0.00 1.88 2.15 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 18 L 8.43 3.93 0.00 1.84 1.64 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.38 4.00 0.00 2.03 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 2.32 2.46 0.00 20 K 8.55 4.41 0.00 1.95 1.82 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.46 1.71 7.81 21 G 7.78 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 22 M 7.97 4.57 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 23 T 8.07 4.52 4.34 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 1.20 0.00 0.00 24 Q 8.32 3.97 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 25 E 8.15 4.20 0.00 2.17 2.23 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 2.36 2.34 0.00 26 D 7.74 4.41 0.00 3.06 2.81 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 27 L 8.02 3.97 0.00 1.80 1.81 0.96 0.92 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 28 A 8.60 4.00 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.03 3.91 0.00 3.20 3.23 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 30 K 8.22 3.81 0.00 1.77 1.84 0.00 1.80 0.00 0.00 1.94 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.58 7.81 31 S 8.03 4.40 0.00 4.13 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 32 N 7.34 4.04 0.00 2.71 2.86 0.00 0.00 6.84 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 33 L 7.31 4.61 0.00 1.60 1.60 0.90 1.32 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 34 D 8.30 4.59 0.00 2.71 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 35 A 9.04 4.00 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 36 T 8.16 3.88 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 1.22 0.00 0.00 *37 Y 7.89 4.05 0.00 2.36 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 0.00 0.00 0.00 0.00 38 I 7.65 3.87 1.97 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 1.82 1.22 0.91 0.00 0.00 39 S 8.31 4.36 0.00 3.86 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 40 G 7.92 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 41 I 8.15 3.79 2.13 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 1.63 0.90 0.92 0.00 0.00 42 E 7.83 4.27 0.00 2.08 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 2.34 2.34 0.00 43 R 7.85 4.50 0.00 1.83 1.81 0.00 3.13 0.00 0.00 3.35 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 44 N 8.21 4.52 0.00 2.72 2.85 0.00 0.00 7.13 7.57 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 45 S 7.78 4.46 0.00 3.98 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 46 R 7.78 3.89 0.00 1.84 1.86 0.00 3.32 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 47 N 8.54 4.51 0.00 2.73 2.77 0.00 0.00 7.04 7.78 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 48 L 8.00 4.36 0.00 1.78 1.65 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.15 4.32 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 50 I 8.27 3.73 1.88 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 1.65 0.73 0.92 0.00 0.00 51 K 7.95 3.93 0.00 1.75 1.83 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.46 7.81 52 S 7.76 4.05 0.00 3.94 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 53 L 7.89 3.80 0.00 1.83 1.68 0.80 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.01 3.78 0.00 2.07 2.02 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 2.27 2.31 0.00 55 L 8.42 3.94 0.00 1.90 1.68 0.88 1.09 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 56 I 8.09 3.65 1.96 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 1.49 0.80 0.87 0.00 0.00 57 M 8.48 3.92 0.00 1.86 2.18 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.20 0.00 58 K 7.70 4.28 0.00 1.69 1.80 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.39 7.81 59 G 7.84 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 60 L 8.32 4.16 0.00 1.75 1.75 0.99 0.85 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 61 E 7.69 3.88 0.00 2.11 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 2.17 2.10 0.00 62 V 7.37 4.53 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 0.98 0.00 0.00 1.03 0.00 0.00 63 S 8.43 4.44 0.00 4.08 4.09 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 64 D 8.64 4.51 0.00 2.96 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 65 V 7.85 3.71 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 1.13 0.00 0.00 0.99 0.00 0.00 66 V 7.61 3.67 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 0.71 0.00 0.00 0.95 0.00 0.00 67 F 8.07 3.83 0.00 3.11 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 68 F 8.31 4.45 0.00 3.40 3.12 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 69 E 8.52 4.05 0.00 2.34 2.02 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 2.38 2.56 0.00 70 M 8.14 4.08 0.00 1.84 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.47 0.00 71 L 7.68 3.80 0.00 1.63 1.92 1.02 0.95 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 72 I 7.84 3.71 1.91 0.00 0.00 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 1.47 0.67 0.95 0.00 0.00 73 K 7.74 3.89 0.00 1.91 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.51 7.81 74 E 7.70 4.00 0.00 2.24 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 2.66 2.51 0.00 75 I 7.74 3.98 2.08 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 1.62 0.60 1.06 0.00 0.00 76 L 8.30 4.25 0.00 1.60 1.76 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.87 4.09 0.00 1.72 1.74 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.67 1.53 7.81 78 H 7.84 4.78 0.00 3.18 3.26 0.00 5.64 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 79 D 8.85 4.82 0.00 2.81 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 * Residues marked with a * may have inaccurate shift predictions.