NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *20 M 4.3583 8.3044 118.7933 53.9215 33.3834 175.5829 21 K 3.7833 8.2356 122.0838 54.6249 32.0037 174.7936 22 T 4.3942 8.8043 116.2121 60.9588 70.9334 172.7446 23 E 5.1224 7.0289 120.1334 54.9057 34.1241 175.2444 24 W 5.1788 9.2684 119.3871 53.3016 29.6577 174.7536 25 P 4.3451 0.0000 0.0000 65.4831 31.1997 179.1840 26 E 4.1587 8.2822 116.2560 58.2588 29.8867 177.9682 27 L 4.3744 8.1271 119.3442 55.3389 42.3045 176.8405 28 V 3.8819 7.3777 119.5276 64.1771 31.7085 176.2590 29 G 3.9717 9.1950 116.3300 45.2765 0.0000 173.6648 30 K 4.3597 7.7813 119.7383 55.1002 33.4176 176.5214 31 S 4.7763 8.4937 116.7106 57.8148 64.9260 175.6614 32 V 3.6348 8.3312 123.7186 64.9368 31.0511 178.7039 33 E 3.8882 8.0270 118.8614 59.3089 29.3630 178.6911 34 E 3.9074 8.3146 119.1478 59.0214 29.5772 178.6047 35 A 3.8775 8.0084 120.9108 55.0370 18.4254 179.6461 36 K 3.7004 8.0364 116.9639 59.4186 32.1656 179.4108 37 K 3.8496 7.8516 119.6305 59.4665 32.2486 179.0348 38 V 3.5643 7.9061 118.5921 66.0674 31.4205 177.9732 39 I 3.1810 7.6324 119.7854 64.2957 36.7353 178.4957 40 L 4.1369 7.9479 119.3209 57.4548 41.0979 179.5982 41 Q 4.0289 7.6122 117.4306 58.8800 28.7358 177.7427 42 D 4.7882 7.9878 118.4078 55.6156 42.5910 177.1146 43 K 4.7079 8.2614 120.3480 54.1652 32.6965 174.4230 44 P 4.4625 0.0000 0.0000 63.9645 31.8625 177.2454 45 A 4.4296 7.8613 118.7022 51.5779 19.0407 176.6657 46 A 4.1949 7.8307 119.6134 53.2909 19.2510 178.2515 47 Q 4.2985 9.3687 121.9583 54.7897 29.7933 174.6127 48 I 4.7183 8.0813 125.4247 59.7226 38.7493 175.2591 49 I 4.4046 8.1811 126.9069 59.0288 40.8723 174.0193 50 V 4.5041 8.2704 129.0771 61.7088 32.5180 174.8125 51 L 4.9108 8.5423 127.0274 52.0277 46.5076 174.2026 52 P 4.9261 0.0000 0.0000 62.1730 32.4876 176.7477 53 V 3.9168 8.6773 124.4124 63.2197 31.8133 176.3568 54 G 3.8097 8.7623 109.6843 46.2700 0.0000 173.3151 55 T 4.5141 7.2253 107.9702 59.9588 70.7308 173.8048 56 I 4.4837 7.9816 122.2638 59.8180 39.0449 175.6359 57 V 4.6575 7.9156 115.9318 59.2021 35.6731 175.4883 58 T 4.0881 8.4285 111.2497 62.2314 68.9967 174.4371 59 K 4.6688 8.3543 122.3673 56.0907 32.9183 176.4750 60 E 4.3626 8.1191 115.7072 55.7418 30.9609 174.7976 61 Y 4.6951 8.4643 121.0854 55.9486 40.2844 175.1791 62 R 4.3652 8.1169 127.0479 54.0384 31.8639 176.5609 63 I 3.4694 8.2031 124.3643 63.2563 38.4015 176.2307 64 D 4.5644 7.9174 118.1615 53.7501 40.2584 175.3101 65 R 4.8825 7.5644 121.7993 54.9463 32.6261 175.2258 66 V 4.5548 8.4383 124.7391 61.0751 34.2799 174.5431 67 R 4.4358 8.6335 127.5572 55.8048 31.1462 176.1028 68 L 4.5430 8.5770 123.8437 53.0205 44.2678 175.4337 69 F 5.0726 8.7683 123.4513 56.3221 40.5601 175.4076 70 V 5.0044 8.6878 117.9925 59.5380 34.7651 176.2335 71 D 4.7991 8.7608 123.8560 52.2994 40.8976 177.0414 72 R 4.1458 8.3934 114.1629 57.9579 29.5562 176.9621 73 L 4.2899 8.0750 117.8959 54.6429 42.2338 176.3468 74 D 4.5400 8.1051 118.3338 55.3930 38.6887 173.1475 75 N 5.3228 7.9856 115.1899 51.2458 40.8491 174.6758 76 I 3.9238 8.7455 122.8115 61.6871 37.5044 176.7951 77 A 4.6865 8.8982 127.4147 52.2138 20.5575 176.2180 78 Q 4.5796 7.7134 112.7179 53.6026 32.9095 174.6304 79 V 3.8038 8.3852 120.5174 62.6922 32.0938 174.0689 80 P 4.7826 0.0000 0.0000 62.8629 32.3625 175.6217 81 R 5.4132 8.5406 118.8760 54.3700 32.7693 174.9101 82 V 3.9742 8.8742 121.4906 62.8233 32.5872 176.3466 83 G 3.0648 8.5129 115.0330 45.1980 0.0000 172.8850 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 *20 M 8.30 4.36 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 21 K 8.24 3.78 0.00 1.61 1.65 0.00 1.14 0.00 0.00 1.48 0.00 0.00 2.97 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.05 0.43 7.81 22 T 8.80 4.39 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 1.29 0.00 0.00 23 E 7.03 5.12 0.00 1.77 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 0.00 2.24 2.27 0.00 24 W 9.27 5.18 0.00 3.36 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 25 P 0.00 4.35 0.00 2.24 2.34 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 26 E 8.28 4.16 0.00 2.19 2.30 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 2.48 2.37 0.00 27 L 8.13 4.37 0.00 1.97 1.76 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 28 V 7.38 3.88 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 0.82 0.00 0.00 1.05 0.00 0.00 29 G 9.20 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 30 K 7.78 4.36 0.00 1.91 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.53 7.81 31 S 8.49 4.78 0.00 4.24 3.99 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 32 V 8.33 3.63 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 0.83 0.00 0.00 0.87 0.00 0.00 33 E 8.03 3.89 0.00 2.05 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 0.00 2.38 2.40 0.00 34 E 8.31 3.91 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 35 A 8.01 3.88 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 36 K 8.04 3.70 0.00 1.88 1.79 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.54 7.81 37 K 7.85 3.85 0.00 1.81 1.91 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 38 V 7.91 3.56 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 1.08 0.00 0.00 0.97 0.00 0.00 39 I 7.63 3.18 1.51 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.35 0.00 0.00 40 L 7.95 4.14 0.00 1.69 1.68 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.61 4.03 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 42 D 7.99 4.79 0.00 3.22 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 43 K 8.26 4.71 0.00 1.96 1.85 0.00 1.89 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.49 7.81 44 P 0.00 4.46 0.00 2.08 2.10 0.00 3.80 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 45 A 7.86 4.43 1.26 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 46 A 7.83 4.19 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 47 Q 9.37 4.30 0.00 1.88 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.54 0.00 48 I 8.08 4.72 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.40 0.82 0.00 0.00 49 I 8.18 4.40 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.65 0.77 0.00 0.00 50 V 8.27 4.50 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 0.78 0.00 0.00 0.84 0.00 0.00 51 L 8.54 4.91 0.00 1.11 1.47 0.75 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.93 0.00 2.13 2.00 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 53 V 8.68 3.92 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 0.74 0.00 0.00 0.93 0.00 0.00 54 G 8.76 3.81 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 0.00 0.00 0.00 55 T 7.23 4.51 4.32 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 0.00 0.00 0.00 1.27 0.00 0.00 56 I 7.98 4.48 1.89 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 1.41 0.62 0.93 0.00 0.00 57 V 7.92 4.66 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 0.98 0.00 0.00 1.07 0.00 0.00 58 T 8.43 4.09 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 1.23 0.00 0.00 59 K 8.35 4.67 0.00 1.78 1.88 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.36 7.81 60 E 8.12 4.36 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 61 Y 8.46 4.70 0.00 2.91 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.12 4.37 0.00 1.68 1.89 0.00 3.32 0.00 0.00 3.08 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 63 I 8.20 3.47 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.64 0.91 0.00 0.00 64 D 7.92 4.56 0.00 2.91 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 65 R 7.56 4.88 0.00 1.86 1.86 0.00 2.98 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 66 V 8.44 4.55 1.90 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 0.77 0.00 0.00 0.90 0.00 0.00 67 R 8.63 4.44 0.00 1.67 1.21 0.00 3.29 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 68 L 8.58 4.54 0.00 1.39 1.47 0.79 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.77 5.07 0.00 3.01 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.69 5.00 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 0.75 0.00 0.00 1.03 0.00 0.00 71 D 8.76 4.80 0.00 2.91 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 72 R 8.39 4.15 0.00 1.95 2.11 0.00 3.03 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 73 L 8.07 4.29 0.00 1.81 1.75 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.11 4.54 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 75 N 7.99 5.32 0.00 2.92 2.79 0.00 0.00 7.02 7.32 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 76 I 8.75 3.92 2.08 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.94 0.98 0.00 0.00 77 A 8.90 4.69 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.71 4.58 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.90 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 79 V 8.39 3.80 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 0.89 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.78 0.00 2.32 1.95 0.00 3.99 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 81 R 8.54 5.41 0.00 1.88 1.97 0.00 3.13 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 82 V 8.87 3.97 2.20 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 0.77 0.00 0.00 1.20 0.00 0.00 83 G 8.51 3.06 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 * Residues marked with a * may have inaccurate shift predictions.