NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9297 8.3549 109.7367 45.3409 0.0000 174.6620 3 K 3.8977 7.8538 118.9868 54.7811 32.8619 170.9794 4 V 4.4959 8.7173 123.0025 61.3384 35.4877 173.5357 5 Y 5.0819 8.8439 124.0693 56.1380 41.0488 174.6612 6 K 4.5457 8.4004 122.0260 54.4651 35.7129 174.7353 7 K 4.9217 8.4846 124.2475 54.5411 34.6886 175.5680 8 V 4.4934 8.8059 124.4715 61.0111 34.7775 173.6307 9 E 5.0585 8.7791 127.6870 54.7733 30.8178 174.7688 10 L 4.8993 9.3195 126.6197 52.8239 46.1440 175.9327 11 V 4.7042 8.3413 120.4868 61.2242 33.3960 175.0128 12 G 4.1386 8.7383 116.6038 45.6731 0.0000 171.7474 13 T 5.3920 8.1115 112.4964 60.1079 72.1611 172.9309 14 S 4.6752 8.6788 115.2759 57.9152 65.9888 175.4243 15 E 4.5956 9.0872 123.9391 57.6619 30.0396 177.4684 16 E 4.3253 8.5044 118.6351 56.7873 30.7200 176.2074 17 G 3.2578 7.0219 103.9356 44.6137 0.0000 172.7862 18 L 3.8209 7.4047 118.0450 57.7881 41.5633 179.2277 19 E 3.8983 7.9995 117.7984 59.4039 29.3626 179.1717 20 A 3.9401 7.8821 120.0459 54.9012 18.5256 179.3159 21 A 3.9075 7.8492 119.0455 55.3429 18.4913 179.9409 22 I 3.4773 7.6836 118.1582 64.6877 37.1549 178.7294 23 Q 3.9002 8.3257 118.9709 58.7711 28.5142 178.8033 24 A 3.9391 8.2891 121.9049 54.9614 18.3507 179.4652 25 A 3.8648 7.7173 118.7238 55.4637 18.4839 179.9674 26 L 3.8405 7.9101 117.2038 57.5994 41.3913 179.5943 27 A 3.9193 8.1071 120.4919 55.2228 18.5025 179.3938 28 R 3.9131 7.9279 116.8914 59.3441 30.1457 178.4550 29 A 3.9291 8.1576 121.0799 55.0555 18.2090 179.3681 30 R 4.2776 7.7121 112.0689 58.0109 29.8220 178.6172 31 K 4.0957 7.6358 119.5781 59.0165 32.0849 177.6226 32 T 4.3612 7.6866 113.5014 63.7167 70.7572 174.3123 33 L 4.3562 7.9434 120.2559 52.9392 43.2610 175.9842 34 R 4.5134 7.7931 119.9149 55.6204 33.2975 174.8984 35 H 4.1710 8.5003 113.6670 56.9135 25.8966 175.3661 36 L 4.5419 8.0923 118.7031 55.3718 42.3336 175.8886 37 D 5.2101 9.3293 122.5366 55.2469 43.2130 176.1425 38 W 5.5263 7.8962 113.2860 55.0435 32.0441 172.9813 39 F 5.3603 8.3562 114.1179 55.2796 41.1340 173.9504 40 E 4.7043 9.2622 118.6969 54.6796 33.3428 175.0335 41 V 4.2595 8.7821 125.5041 62.9983 31.6020 175.6015 42 K 4.4614 8.9944 127.7721 57.9890 33.5601 176.6237 43 E 4.7766 7.7801 117.9404 55.1356 33.1085 174.0684 44 I 5.0536 8.4595 126.4023 59.7197 40.1175 174.7486 45 R 4.6311 9.0672 123.5653 55.9342 33.4309 173.4766 46 G 4.1535 8.0941 105.1427 46.7422 0.0000 172.6206 47 T 4.7347 8.0206 110.0166 60.1230 71.5137 173.7055 48 I 4.7263 8.2476 122.9451 59.8008 39.8670 175.3426 49 G 4.3700 9.0459 116.0021 43.8588 0.0000 172.9824 50 E 3.9248 8.8845 117.1936 58.5840 29.5641 177.6017 51 A 4.6960 8.0940 120.3304 51.7079 20.5861 176.7975 52 G 3.9569 7.5559 107.6233 45.4084 0.0000 176.4254 53 V 3.6513 8.1802 125.5747 63.2211 31.5591 175.1306 54 K 4.1632 8.6153 129.6115 58.4513 32.6786 176.2699 55 E 4.7594 7.7112 118.7772 54.5377 33.1483 173.4297 56 Y 4.6899 9.3604 125.2356 57.6728 39.8970 174.5708 57 Q 4.9323 9.6805 122.4153 54.2572 32.5284 174.5583 58 V 4.7097 8.8099 125.7593 60.9947 33.5941 174.6972 59 V 4.3831 8.6954 129.8134 62.4916 32.8214 174.6390 60 L 5.1937 9.2229 129.4530 53.6008 45.9706 174.3431 61 E 4.9702 9.4253 125.9244 55.0487 31.7045 175.0231 62 V 4.4804 9.0690 124.6215 60.9745 34.2181 174.2114 63 G 2.9118 8.1663 115.9055 43.8716 0.0000 172.2899 64 F 5.6705 8.4547 118.7776 54.9669 41.9168 173.6977 65 R 4.0940 8.8797 121.8743 56.3053 30.4680 175.9850 66 L 4.5138 8.3335 126.7281 54.2446 42.6217 176.7563 67 E 4.2094 8.7596 121.8443 56.6989 30.6264 175.8152 68 E 3.5835 8.6981 121.8163 58.2631 28.1391 175.0990 *69 T 4.1630 7.9041 114.2248 60.6362 69.2274 177.0086 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 2 G 8.35 3.93 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 0.00 0.00 0.00 3 K 7.85 3.90 0.00 1.84 1.43 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.46 7.81 4 V 8.72 4.50 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 1.09 0.00 0.00 0.91 0.00 0.00 5 Y 8.84 5.08 0.00 3.00 3.07 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 0.00 0.00 0.00 0.00 6 K 8.40 4.55 0.00 1.45 0.74 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.15 1.27 7.81 7 K 8.48 4.92 0.00 1.63 1.65 0.00 2.06 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.13 1.38 7.81 8 V 8.81 4.49 2.26 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 0.79 0.00 0.00 1.10 0.00 0.00 9 E 8.78 5.06 0.00 2.02 1.84 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 2.22 2.44 0.00 10 L 9.32 4.90 0.00 1.52 1.47 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.34 4.70 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 0.93 0.00 0.00 12 G 8.74 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 0.00 0.00 0.00 13 T 8.11 5.39 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 1.22 0.00 0.00 14 S 8.68 4.68 0.00 3.91 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 15 E 9.09 4.60 0.00 2.03 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 2.44 2.34 0.00 16 E 8.50 4.33 0.00 1.94 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 2.31 2.39 0.00 17 G 7.02 3.26 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 0.00 18 L 7.40 3.82 0.00 1.57 1.64 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.00 3.90 0.00 1.99 1.95 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 2.38 2.42 0.00 20 A 7.88 3.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.85 3.91 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 22 I 7.68 3.48 1.84 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 1.35 0.93 0.26 0.00 0.00 23 Q 8.33 3.90 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 24 A 8.29 3.94 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 25 A 7.72 3.86 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 26 L 7.91 3.84 0.00 1.61 1.66 0.72 0.58 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 27 A 8.11 3.92 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 28 R 7.93 3.91 0.00 1.93 2.02 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.16 3.93 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 30 R 7.71 4.28 0.00 1.95 2.02 0.00 3.05 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.62 0.00 31 K 7.64 4.10 0.00 1.81 1.87 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.65 7.81 32 T 7.69 4.36 4.17 0.00 0.00 0.00 0.00 0.00 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 33 L 7.94 4.36 0.00 1.26 0.70 0.49 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.79 4.51 0.00 1.67 1.53 0.00 3.25 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 35 H 8.50 4.17 0.00 3.66 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.09 4.54 0.00 1.67 1.67 0.88 0.92 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 37 D 9.33 5.21 0.00 3.15 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 38 W 7.90 5.53 0.00 3.24 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.36 5.36 0.00 3.02 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 40 E 9.26 4.70 0.00 1.99 1.94 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 2.40 2.56 0.00 41 V 8.78 4.26 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 0.86 0.00 0.00 1.12 0.00 0.00 42 K 8.99 4.46 0.00 1.69 1.87 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.55 7.81 43 E 7.78 4.78 0.00 2.03 1.75 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 2.29 2.34 0.00 44 I 8.46 5.05 1.92 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 1.44 0.83 1.00 0.00 0.00 45 R 9.07 4.63 0.00 1.78 2.02 0.00 3.02 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 46 G 8.09 4.15 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 0.00 0.00 0.00 47 T 8.02 4.73 4.20 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 0.00 0.00 0.00 1.18 0.00 0.00 48 I 8.25 4.73 1.84 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 1.22 0.62 0.91 0.00 0.00 49 G 9.05 4.37 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 0.00 50 E 8.88 3.92 0.00 1.94 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 2.30 2.36 0.00 51 A 8.09 4.70 1.24 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 0.00 0.00 0.00 52 G 7.56 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 53 V 8.18 3.65 1.78 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 -0.37 0.00 0.00 0.67 0.00 0.00 54 K 8.62 4.16 0.00 1.84 1.85 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.35 7.81 55 E 7.71 4.76 0.00 2.03 1.67 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 2.20 2.27 0.00 56 Y 9.36 4.69 0.00 3.09 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 57 Q 9.68 4.93 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.81 4.71 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 0.94 0.00 0.00 0.95 0.00 0.00 59 V 8.70 4.38 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 0.96 0.00 0.00 0.95 0.00 0.00 60 L 9.22 5.19 0.00 1.69 1.49 1.12 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.43 4.97 0.00 1.96 1.83 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 2.28 2.27 0.00 62 V 9.07 4.48 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 1.01 0.00 0.00 0.90 0.00 0.00 63 G 8.17 2.91 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 64 F 8.45 5.67 0.00 3.36 3.05 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 65 R 8.88 4.09 0.00 1.91 1.90 0.00 3.03 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.05 0.00 66 L 8.33 4.51 0.00 1.61 1.55 0.87 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.76 4.21 0.00 1.99 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 2.34 2.39 0.00 68 E 8.70 3.58 0.00 2.10 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 2.18 2.29 0.00 *69 T 7.90 4.16 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 * Residues marked with a * may have inaccurate shift predictions.