NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4225 8.1585 120.3337 55.0094 33.4736 176.5804 2 A 3.7927 8.8667 132.5342 55.1678 19.3503 178.5851 3 K 4.4226 8.3456 113.2082 57.2106 32.9603 176.3399 4 V 4.0807 7.6933 118.8218 65.3654 32.1870 177.5539 5 H 4.4093 8.0266 115.1723 58.8177 27.3882 177.9739 6 G 3.8240 8.1167 106.9415 46.7575 0.0000 175.2066 7 S 4.5172 7.9495 114.5555 59.8701 63.9749 175.8129 8 L 4.1643 7.6044 122.6051 57.2152 41.1028 178.8804 9 A 4.0046 8.6345 122.1973 55.3013 18.4512 179.5670 10 R 3.8145 7.3301 110.9130 58.0541 30.7906 178.0424 11 A 4.1381 8.1343 122.1015 54.8794 18.5418 179.7947 12 G 3.7320 7.9875 102.7826 47.3919 0.0000 174.3381 13 K 4.4643 7.4103 117.7700 56.1860 32.2298 177.1893 14 V 4.1837 7.3971 117.7110 63.9132 33.8227 174.5743 15 K 4.3823 7.3710 117.8726 56.1232 34.4866 173.3146 16 S 4.7273 7.7184 117.2314 58.2702 65.5685 176.2408 17 Q 4.7756 7.8967 118.5139 53.6354 32.9684 174.5684 18 T 3.8942 8.7004 115.6948 62.5723 66.7750 173.9522 19 P 4.4841 0.0000 0.0000 63.9981 33.5443 177.0841 20 K 4.3217 7.0965 114.1579 54.5863 33.0468 176.6420 21 V 3.5742 8.1309 119.7721 64.4034 31.9772 177.0835 22 E 3.6869 8.5839 124.4127 56.6102 28.5896 173.6942 23 K 4.8520 8.1890 116.0344 55.2616 37.6095 177.0021 24 T 4.1193 8.6310 114.9759 63.0905 67.2055 177.1409 25 E 4.1214 5.9000 123.5415 57.9347 30.1938 177.9037 26 K 4.3867 8.0329 117.1053 55.6041 32.5928 175.3408 27 P 4.7604 0.0000 0.0000 64.0667 32.7604 177.1637 28 K 4.0040 8.1094 118.0835 59.1956 32.0188 179.5701 29 K 3.9991 8.0279 118.7939 58.9438 31.7240 177.5687 30 P 4.2454 0.0000 0.0000 65.5524 31.3866 178.4615 31 K 4.2028 8.2478 117.4655 59.3993 32.0480 179.7299 32 G 3.6938 8.3690 106.1786 47.8097 0.0000 175.7636 33 R 4.0995 8.2959 119.2972 57.9276 30.1240 178.8786 34 A 3.8475 7.5515 121.6337 55.1576 18.1756 179.1222 35 Y 3.9396 7.6511 113.6432 61.1878 38.0424 178.6666 36 K 4.1008 7.3920 117.5967 59.5095 32.2422 179.3245 37 R 3.3815 7.9116 117.5952 58.4892 30.8917 178.7310 38 L 4.2330 7.3085 119.6168 54.4103 38.7830 176.1971 39 L 4.5210 6.5799 119.2234 56.5161 44.7067 178.1383 40 Y 4.1469 7.8888 116.4395 58.7796 39.1130 180.0749 41 T 4.7796 7.4268 115.7622 61.6521 69.8383 174.8048 42 R 4.5437 8.0824 117.9284 54.6578 33.9623 174.6922 43 R 4.0625 8.1758 119.2984 56.3493 31.1955 175.9774 44 F 5.1860 8.3916 118.6280 56.0386 42.9427 175.5754 45 V 3.9557 9.5857 119.3897 64.3649 32.0720 174.6933 46 N 4.0121 8.4158 122.0764 52.7976 41.2369 175.3396 47 V 3.5542 7.4612 118.5615 64.3647 32.0869 174.2907 48 T 3.8834 7.8571 108.0339 65.0555 69.0956 176.6424 49 L 3.9787 7.9716 122.0766 57.1266 41.4196 179.3774 50 V 3.5792 7.7551 116.6862 66.3797 31.7283 177.4374 51 N 4.5830 8.8229 116.4628 55.9815 38.2354 177.3763 52 G 3.8861 8.0642 107.3602 48.1862 0.0000 175.7215 53 K 4.1964 8.1301 118.9275 57.8484 32.0743 178.5536 54 R 4.4468 7.6229 117.0326 55.8210 30.2984 176.9517 55 R 4.1539 7.6010 120.1464 58.3458 30.5882 176.1940 56 M 4.8150 7.7883 115.7916 53.5433 35.5115 172.6508 57 N 5.0996 8.8647 120.3209 52.4901 43.7934 175.9604 58 P 3.9770 0.0000 0.0000 64.3449 30.7684 177.3499 59 G 4.1254 9.1385 114.6167 45.0176 0.0000 170.6302 *60 P 5.0255 0.0000 0.0000 63.7019 36.6555 180.6419 *61 S 4.7314 8.0634 119.8211 57.3133 63.5057 181.5899 *62 V 3.1495 9.0284 116.9409 62.7023 31.7440 172.9912 63 Q 3.8794 7.9738 123.6011 56.4027 29.4319 175.7608 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 8.16 4.42 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 2 A 8.87 3.79 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 3 K 8.35 4.42 0.00 1.89 1.92 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.51 1.54 7.81 4 V 7.69 4.08 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 1.02 0.00 0.00 5 H 8.03 4.41 0.00 3.18 3.32 0.00 5.69 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 6 G 8.12 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 7 S 7.95 4.52 0.00 4.03 4.01 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 0.00 0.00 0.00 8 L 7.60 4.16 0.00 1.69 1.68 0.77 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.63 4.00 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 10 R 7.33 3.81 0.00 1.96 2.00 0.00 3.27 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 11 A 8.13 4.14 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.99 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 0.00 0.00 0.00 13 K 7.41 4.46 0.00 1.58 1.84 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.43 7.81 14 V 7.40 4.18 2.08 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 0.80 0.00 0.00 0.96 0.00 0.00 15 K 7.37 4.38 0.00 1.72 1.76 0.00 1.90 0.00 0.00 1.90 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.33 7.81 16 S 7.72 4.73 0.00 3.98 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 17 Q 7.90 4.78 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.16 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 18 T 8.70 3.89 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 1.37 0.00 0.00 19 P 0.00 4.48 0.00 2.21 2.14 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 20 K 7.10 4.32 0.00 1.84 1.79 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.37 7.81 21 V 8.13 3.57 2.08 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 0.79 0.00 0.00 0.93 0.00 0.00 22 E 8.58 3.69 0.00 2.26 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 2.22 2.31 0.00 23 K 8.19 4.85 0.00 1.69 1.66 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.32 1.32 7.81 24 T 8.63 4.12 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 1.30 0.00 0.00 25 E 5.90 4.12 0.00 2.05 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 2.33 2.28 0.00 26 K 8.03 4.39 0.00 1.73 1.81 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.40 7.81 27 P 0.00 4.76 0.00 2.22 2.25 0.00 3.86 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 28 K 8.11 4.00 0.00 1.91 1.90 0.00 1.97 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.49 7.81 29 K 8.03 4.00 0.00 1.94 1.86 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 30 P 0.00 4.25 0.00 2.15 2.09 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 31 K 8.25 4.20 0.00 2.03 1.95 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.49 7.81 32 G 8.37 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.30 4.10 0.00 1.86 1.98 0.00 3.11 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 34 A 7.55 3.85 1.05 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 35 Y 7.65 3.94 0.00 3.00 3.02 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 36 K 7.39 4.10 0.00 1.99 1.84 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.49 7.81 37 R 7.91 3.38 0.00 1.73 1.72 0.00 3.11 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 38 L 7.31 4.23 0.00 1.80 1.60 0.82 0.80 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 39 L 6.58 4.52 0.00 1.54 1.59 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.89 4.15 0.00 2.88 2.84 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 0.00 0.00 0.00 41 T 7.43 4.78 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 1.24 0.00 0.00 42 R 8.08 4.54 0.00 1.65 1.49 0.00 3.05 0.00 0.00 2.94 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.49 0.00 43 R 8.18 4.06 0.00 1.72 1.83 0.00 3.13 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 44 F 8.39 5.19 0.00 2.98 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 45 V 9.59 3.96 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 0.87 0.00 0.00 0.91 0.00 0.00 46 N 8.42 4.01 0.00 2.95 2.98 0.00 0.00 6.61 7.56 0.00 0.00 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 V 7.46 3.55 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 0.84 0.00 0.00 0.99 0.00 0.00 48 T 7.86 3.88 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 1.22 0.00 0.00 49 L 7.97 3.98 0.00 1.74 1.76 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.76 3.58 2.29 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 0.87 0.00 0.00 0.97 0.00 0.00 51 N 8.82 4.58 0.00 2.72 2.85 0.00 0.00 6.96 7.52 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 52 G 8.06 3.89 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 0.00 0.00 0.00 53 K 8.13 4.20 0.00 1.74 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.64 7.81 54 R 7.62 4.45 0.00 1.91 1.94 0.00 3.15 0.00 0.00 3.15 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 55 R 7.60 4.15 0.00 1.88 2.05 0.00 3.22 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 56 M 7.79 4.81 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 57 N 8.86 5.10 0.00 2.65 2.28 0.00 0.00 7.16 8.02 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 58 P 0.00 3.98 0.00 2.19 1.41 0.00 3.65 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 1.93 2.06 0.00 59 G 9.14 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 0.00 0.00 0.00 *60 P 0.00 5.03 0.00 2.04 1.69 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.57 0.00 *61 S 8.06 4.73 0.00 3.62 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 *62 V 9.03 3.15 2.08 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 0.84 0.00 0.00 0.93 0.00 0.00 63 Q 7.97 3.88 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.