NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 T 4.4058 8.0333 112.9195 60.4709 70.5469 174.7077 12 L 4.0144 8.4803 126.7484 56.3544 41.7258 178.1898 13 G 3.6672 8.4434 107.1568 47.7012 0.0000 175.2170 14 A 4.0601 7.9421 122.8435 55.3062 18.3404 179.5728 15 T 3.8842 7.4872 112.5766 66.9048 68.6901 176.4937 16 L 4.0780 8.0770 123.2833 58.1212 41.6859 179.8785 *17 Q 4.0956 8.4544 123.2588 61.1628 27.8562 181.4020 *18 D 4.7762 8.6524 121.4723 57.1471 40.0261 179.3738 19 S 4.8258 8.1831 113.3331 58.1738 63.4933 174.0712 20 I 4.0911 7.1278 123.8110 62.8428 37.1952 176.6293 21 G 3.9634 9.5635 113.7731 45.0922 0.0000 172.7178 22 K 4.6992 8.0786 118.8001 54.1934 36.3091 174.7993 23 Q 4.8068 8.4281 122.3748 55.9721 30.4169 174.8894 24 V 4.9640 9.0999 118.6123 59.5561 36.6404 173.8760 25 L 5.0332 9.1009 124.7461 53.7160 44.1246 175.3803 26 V 4.6927 9.0123 125.6458 61.0982 34.7284 174.0450 27 K 4.8358 7.7202 126.5058 54.6104 34.8709 175.3348 28 L 5.1475 8.5017 122.8925 52.3092 45.8547 176.0440 29 R 4.0425 8.6061 119.4409 57.0019 30.8619 176.3069 30 D 4.3400 9.0874 117.2813 55.9249 38.0154 174.2356 31 S 3.7699 8.2012 110.2635 59.9566 60.5078 171.4531 32 H 4.7522 7.6117 115.5350 54.7687 30.6177 174.1683 33 E 4.9884 8.6590 122.2296 54.5891 32.7439 174.3089 34 I 5.2152 8.9743 126.8138 59.7296 42.1447 174.5305 35 R 5.0817 8.6377 122.2377 54.7573 34.6443 174.6626 36 G 4.1169 8.5590 108.3895 45.8754 0.0000 172.2253 37 I 4.7293 8.4323 121.8044 60.0305 38.3357 175.7048 38 L 4.1649 9.0140 131.1575 56.0812 42.3472 176.9871 39 R 4.3026 9.0134 125.7176 57.7551 31.0673 176.7408 40 S 4.9193 7.8105 111.8063 56.8561 66.5116 171.7647 41 F 5.4826 8.1297 116.7034 56.1329 40.6400 172.5890 42 D 5.0224 8.7277 121.4155 51.9010 42.1347 177.1781 *43 Q 4.0042 8.6696 116.2272 58.3398 28.2689 172.8685 44 H 4.8033 8.7706 112.9969 55.3948 28.3793 175.5736 45 V 3.3269 8.0066 118.4721 63.8995 30.5858 172.0923 46 N 4.9535 8.2706 113.6266 53.0130 40.0297 174.2756 47 L 5.2816 9.1856 120.6770 52.9930 46.6570 175.1250 48 L 5.0591 8.9591 124.2345 53.3718 44.5205 175.0401 49 L 5.2917 9.2607 126.2213 53.0221 45.2541 175.3654 50 E 4.8224 8.9694 121.4938 54.8518 33.0801 175.3972 51 D 4.4723 8.7852 118.8003 55.1618 40.0940 173.6495 52 A 4.7419 8.1278 118.2160 51.8212 20.0720 177.2178 53 E 5.1202 8.9790 116.0124 55.2703 33.6178 173.7317 54 E 5.1262 9.2056 120.9663 54.9484 32.1851 174.9891 55 I 4.8477 8.4888 125.1744 59.7630 38.9999 175.5850 56 I 4.4488 8.4423 128.1425 60.3485 39.7629 175.4946 57 D 4.5086 9.9310 126.8970 55.3216 38.2827 175.2458 58 G 4.0200 8.4338 107.0057 45.6885 0.0000 174.4609 59 N 4.3790 8.1268 117.7227 52.8579 39.2109 173.8617 60 V 4.6344 7.7631 120.4085 61.3571 33.8342 174.1878 61 Y 4.6719 8.7606 126.4295 55.9630 39.9376 175.4135 62 K 4.4379 8.8229 124.7792 56.6513 32.3098 177.2996 63 R 4.4575 9.4708 122.7217 54.0071 32.8061 177.3395 64 G 4.0212 8.3957 106.9608 46.0781 0.0000 175.4671 65 T 4.6929 8.4683 121.5124 63.2094 69.1746 172.5590 66 M 4.8891 9.5176 125.9458 53.7330 35.9419 173.8006 67 V 4.8091 8.5068 125.3307 60.0317 33.8638 175.0314 68 V 4.3354 8.8500 125.2137 60.7792 33.7609 175.0249 69 R 4.5644 8.6293 127.9971 55.9636 30.6507 178.1154 70 G 4.0804 9.3180 114.4791 47.5652 0.0000 176.0273 71 E 3.9802 8.3082 115.4153 58.5023 29.8202 182.2299 72 N 4.8304 7.9323 113.6350 52.8335 39.2023 174.7475 73 V 3.9583 7.4554 119.6587 62.8586 32.2514 175.3400 74 L 4.5410 8.6399 128.4163 56.5029 42.2605 176.6317 75 F 5.0520 7.2116 111.2987 55.9470 41.4857 172.3532 76 I 5.3432 8.4769 119.4929 59.7080 40.7776 175.2451 77 S 4.7105 9.2496 120.6293 56.0540 66.3996 171.7978 78 P 4.8603 0.0000 0.0000 62.4864 32.1222 176.1105 79 V 4.1085 8.2420 123.9921 59.9405 32.4215 174.4910 80 P 4.4230 0.0000 0.0000 62.5867 31.3328 176.1909 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 11 T 8.03 4.41 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 12 L 8.48 4.01 0.00 1.77 1.72 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.44 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.94 4.06 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.49 3.88 4.43 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 0.00 0.00 1.18 0.00 0.00 16 L 8.08 4.08 0.00 1.24 0.64 0.27 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 *17 Q 8.45 4.10 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 *18 D 8.65 4.78 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.18 4.83 0.00 3.91 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 20 I 7.13 4.09 2.05 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.85 1.01 0.00 0.00 21 G 9.56 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 0.00 0.00 0.00 0.00 22 K 8.08 4.70 0.00 1.80 1.71 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.36 7.81 23 Q 8.43 4.81 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 24 V 9.10 4.96 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 0.66 0.00 0.00 0.94 0.00 0.00 25 L 9.10 5.03 0.00 1.78 1.78 1.03 1.07 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 26 V 9.01 4.69 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 0.95 0.00 0.00 0.91 0.00 0.00 27 K 7.72 4.84 0.00 0.79 1.31 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.16 0.92 7.81 28 L 8.50 5.15 0.00 1.52 1.64 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.61 4.04 0.00 1.67 1.87 0.00 3.45 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 30 D 9.09 4.34 0.00 2.92 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 31 S 8.20 3.77 0.00 3.94 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 32 H 7.61 4.75 0.00 3.11 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.66 4.99 0.00 1.97 1.74 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 2.26 2.29 0.00 34 I 8.97 5.22 1.85 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 1.24 0.50 0.98 0.00 0.00 35 R 8.64 5.08 0.00 1.72 1.76 0.00 3.18 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 36 G 8.56 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 37 I 8.43 4.73 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.91 0.93 0.00 0.00 38 L 9.01 4.16 0.00 1.79 1.81 1.04 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 39 R 9.01 4.30 0.00 1.87 1.97 0.00 3.34 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 40 S 7.81 4.92 0.00 3.82 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.13 5.48 0.00 3.10 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.73 5.02 0.00 2.85 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 *43 Q 8.67 4.00 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.35 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 44 H 8.77 4.80 0.00 3.35 3.33 0.00 5.76 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.01 3.33 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 0.90 0.00 0.00 0.95 0.00 0.00 46 N 8.27 4.95 0.00 3.02 2.75 0.00 0.00 6.75 6.74 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 47 L 9.19 5.28 0.00 1.51 1.54 0.91 0.49 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 48 L 8.96 5.06 0.00 1.75 1.61 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.26 5.29 0.00 1.56 1.52 0.93 0.77 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 50 E 8.97 4.82 0.00 1.89 1.82 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 2.22 2.22 0.00 51 D 8.79 4.47 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.13 4.74 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 53 E 8.98 5.12 0.00 2.12 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 2.39 2.31 0.00 54 E 9.21 5.13 0.00 2.12 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 2.28 2.31 0.00 55 I 8.49 4.85 1.89 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 1.23 0.44 0.96 0.00 0.00 56 I 8.44 4.45 2.18 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.96 0.97 0.00 0.00 57 D 9.93 4.51 0.00 2.83 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 58 G 8.43 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 0.00 0.00 0.00 59 N 8.13 4.38 0.00 2.79 1.99 0.00 0.00 6.25 7.25 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 60 V 7.76 4.63 1.97 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 0.80 0.00 0.00 0.86 0.00 0.00 61 Y 8.76 4.67 0.00 2.95 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 62 K 8.82 4.44 0.00 1.67 1.77 0.00 1.70 0.00 0.00 1.71 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 63 R 9.47 4.46 0.00 1.62 1.95 0.00 3.37 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 64 G 8.40 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 0.00 0.00 0.00 65 T 8.47 4.69 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 66 M 9.52 4.89 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 67 V 8.51 4.81 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 1.01 0.00 0.00 68 V 8.85 4.34 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 0.78 0.00 0.00 0.93 0.00 0.00 69 R 8.63 4.56 0.00 1.91 1.85 0.00 3.18 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 70 G 9.32 4.08 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 0.00 0.00 0.00 71 E 8.31 3.98 0.00 2.00 1.89 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 2.23 1.91 0.00 72 N 7.93 4.83 0.00 2.67 2.82 0.00 0.00 6.59 8.89 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 73 V 7.46 3.96 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.98 0.00 0.00 74 L 8.64 4.54 0.00 1.46 1.73 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.21 5.05 0.00 3.00 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 76 I 8.48 5.34 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 0.90 0.00 0.00 77 S 9.25 4.71 0.00 3.82 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 78 P 0.00 4.86 0.00 1.96 2.03 0.00 3.66 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 2.02 2.08 0.00 79 V 8.24 4.11 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 0.71 0.00 0.00 0.94 0.00 0.00 80 P 0.00 4.42 0.00 2.06 1.99 0.00 3.71 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.