NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.4193 8.4293 120.2262 55.8777 29.9086 174.3927 5 P 4.7744 0.0000 0.0000 61.9350 34.2085 173.8901 6 C 4.6572 8.5066 116.7852 57.3859 28.8643 174.1779 *8 E 4.2325 7.6166 121.1937 56.2018 31.5646 177.8718 9 S 3.9448 8.0498 119.5979 61.1978 64.0053 176.6235 10 L 3.5616 7.6750 122.9409 57.4196 41.3659 179.1364 11 V 3.6459 7.1124 118.0552 65.9282 31.4838 177.9568 12 S 4.0835 7.9338 113.4055 61.8378 62.7283 176.1963 13 Q 3.9639 7.5962 121.8023 58.7116 27.9784 178.7887 14 Y 4.3291 7.4911 117.2039 61.2106 37.5360 178.2121 15 F 4.3448 8.6850 117.1386 59.0245 39.1795 177.9015 16 Q 4.0526 8.1624 118.8672 59.2345 28.7135 178.4107 17 T 4.1368 7.6256 117.4365 65.7771 68.3254 176.9770 18 V 3.1283 7.0220 119.3249 66.0400 31.5083 178.2605 19 T 3.9531 7.4328 114.4258 66.5814 68.1265 176.4845 20 D 4.4037 7.8134 120.8699 57.1693 40.7338 178.3783 21 Y 4.4908 7.6962 117.7453 61.1876 37.9436 178.8193 22 G 3.6741 8.1375 106.0274 47.4460 0.0000 175.7722 23 K 4.1505 7.8766 120.2392 59.0522 31.8217 179.1155 24 D 4.6786 8.4610 121.2310 56.7729 40.7727 178.6846 25 L 4.0860 8.2451 119.4630 57.5758 41.6636 179.0416 26 M 4.1369 7.9720 118.2140 58.2834 32.0435 177.9361 27 E 4.0962 7.9652 118.6044 58.7512 29.5083 178.6990 28 K 4.2480 7.5935 116.9971 57.9682 32.3046 178.6723 29 V 4.0644 7.3713 118.5842 63.4940 32.0466 178.1135 30 K 4.5608 8.4338 120.4424 58.0731 31.7850 179.5848 31 S 4.1010 7.7588 114.6994 60.7998 62.7415 174.5523 32 P 4.3594 0.0000 0.0000 63.7953 31.4237 176.9258 33 E 4.4605 7.8630 118.4091 56.7594 29.2378 177.2115 34 L 4.4565 7.3348 116.4835 56.4494 46.5604 175.8128 35 Q 3.9653 8.2175 120.7891 56.0972 29.5959 175.4699 36 A 4.2716 8.0469 126.0475 52.1257 19.0093 178.6405 37 E 3.8222 8.0410 123.3543 59.6139 30.2755 177.1137 38 A 3.5790 7.2222 116.8908 50.8704 20.3976 177.2257 39 K 2.8694 7.3796 118.2147 58.2439 32.8461 179.0237 40 S 4.1394 7.4558 114.0418 61.3791 63.0112 175.7295 41 Y 4.8102 7.2350 119.6161 60.5697 37.3506 177.9677 42 F 4.4778 7.7810 118.0175 60.2600 39.1395 176.6978 43 E 4.3920 8.1087 117.3273 58.4169 29.0990 178.6870 44 K 4.0497 8.5654 119.1185 59.6290 32.0803 179.6911 45 S 4.4781 8.4548 114.3082 60.9728 62.9413 176.1547 46 K 4.0724 7.5807 120.2523 58.6991 31.6409 177.3757 47 E 4.3491 8.0684 117.7668 56.3525 29.6793 176.8350 48 Q 4.5393 7.6498 116.1384 54.6659 31.0652 176.5422 49 L 4.3280 7.7889 119.2455 57.5732 42.6197 178.1561 50 T 4.1363 7.8736 115.5331 65.8805 68.5647 175.3567 51 P 4.3528 0.0000 0.0000 65.1500 31.2379 178.6054 52 L 4.0482 7.8246 117.0513 57.5573 41.7811 178.6784 53 I 3.9111 7.3894 118.6245 63.5217 37.9984 177.8655 54 K 4.0774 7.8200 119.0714 58.7137 31.8060 179.2864 55 K 4.0427 7.9854 118.7413 58.9433 31.8333 178.9138 56 A 4.1397 7.7711 121.6921 54.8087 17.9930 179.9582 57 G 3.4658 7.8417 104.3207 48.3440 0.0000 175.7244 58 T 3.9682 7.6997 113.1136 63.5855 67.8622 175.3104 59 E 3.8464 7.6991 120.5821 59.0875 29.7686 178.5543 60 L 4.1069 8.1433 118.4078 58.0867 41.9065 179.5796 61 V 3.6275 7.3690 118.1761 66.4178 31.1596 177.9051 62 N 4.1878 7.7684 115.3596 56.2640 38.4450 177.3349 63 F 4.5542 7.3917 117.8736 60.6497 39.1108 177.7103 64 L 4.3041 8.6115 119.1478 57.9245 41.3765 179.6205 65 S 4.0480 7.8829 112.9886 61.6440 62.3180 175.8804 66 Y 4.3365 7.6125 119.1505 61.1421 37.4163 178.5324 67 F 4.5407 8.3825 118.9794 60.4225 38.9934 178.0123 68 V 3.7060 7.9749 117.9796 65.8502 31.3498 177.9266 69 E 4.0023 8.3596 118.3624 59.5467 29.2527 179.0624 70 L 4.4198 8.1781 116.0048 56.0543 41.8989 178.3373 71 G 4.0447 7.6944 104.5255 45.0850 0.0000 174.7599 72 T 4.3859 7.8403 117.0814 65.6789 69.4327 176.5149 73 Q 4.0360 7.8325 118.7471 59.0563 28.9093 177.6577 74 P 4.4095 0.0000 0.0000 65.0473 31.5167 178.3392 75 A 4.1283 7.8572 118.8095 55.2802 18.5855 177.0446 76 T 3.9771 7.8049 115.1150 62.4233 67.4062 173.7479 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 4 E 8.43 4.42 0.00 1.97 1.99 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 2.21 2.30 0.00 5 P 0.00 4.77 0.00 2.19 2.08 0.00 3.71 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 1.88 2.05 0.00 6 C 8.51 4.66 0.00 2.94 2.89 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 *8 E 7.62 4.23 0.00 1.99 1.80 0.00 0.00 0.00 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 2.23 0.00 9 S 8.05 3.94 0.00 3.98 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 10 L 7.68 3.56 0.00 1.58 1.39 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.11 3.65 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 0.78 0.00 0.00 0.94 0.00 0.00 12 S 7.93 4.08 0.00 4.04 4.06 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 13 Q 7.60 3.96 0.00 1.95 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 14 Y 7.49 4.33 0.00 3.20 2.73 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 15 F 8.69 4.34 0.00 3.11 3.13 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 16 Q 8.16 4.05 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 17 T 7.63 4.14 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 0.86 0.00 0.00 18 V 7.02 3.13 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 1.11 0.00 0.00 0.86 0.00 0.00 19 T 7.43 3.95 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 1.21 0.00 0.00 20 D 7.81 4.40 0.00 2.71 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.70 4.49 0.00 3.21 2.89 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 22 G 8.14 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 23 K 7.88 4.15 0.00 1.98 1.87 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.67 7.81 24 D 8.46 4.68 0.00 2.88 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.25 4.09 0.00 1.72 1.72 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.97 4.14 0.00 2.27 2.28 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 2.60 2.58 0.00 27 E 7.97 4.10 0.00 2.22 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 2.33 2.64 0.00 28 K 7.59 4.25 0.00 1.92 1.86 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.64 7.81 29 V 7.37 4.06 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 30 K 8.43 4.56 0.00 1.88 1.89 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.45 7.81 31 S 7.76 4.10 0.00 3.95 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 32 P 0.00 4.36 0.00 2.20 2.30 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.96 0.00 33 E 7.86 4.46 0.00 2.26 1.99 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 2.32 2.46 0.00 34 L 7.33 4.46 0.00 1.72 1.70 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.22 3.97 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.62 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 36 A 8.05 4.27 1.15 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 37 E 8.04 3.82 0.00 2.01 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 2.23 2.28 0.00 38 A 7.22 3.58 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 39 K 7.38 2.87 0.00 1.48 1.53 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.02 7.81 40 S 7.46 4.14 0.00 3.99 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 41 Y 7.23 4.81 0.00 3.28 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 42 F 7.78 4.48 0.00 3.17 3.08 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 43 E 8.11 4.39 0.00 2.23 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 2.42 2.48 0.00 44 K 8.57 4.05 0.00 1.96 1.96 0.00 2.08 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.79 7.81 45 S 8.45 4.48 0.00 4.07 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.58 4.07 0.00 2.08 2.08 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.48 7.81 47 E 8.07 4.35 0.00 2.19 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 0.00 2.34 2.57 0.00 48 Q 7.65 4.54 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 49 L 7.79 4.33 0.00 1.89 1.82 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.87 4.14 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 1.21 0.00 0.00 51 P 0.00 4.35 0.00 2.16 2.09 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.17 0.00 52 L 7.82 4.05 0.00 1.62 1.73 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.39 3.91 1.87 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 1.52 1.35 0.97 0.00 0.00 54 K 7.82 4.08 0.00 2.09 1.83 0.00 1.60 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.51 7.81 55 K 7.99 4.04 0.00 2.07 1.99 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.71 7.81 56 A 7.77 4.14 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 57 G 7.84 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.70 3.97 4.19 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 0.00 0.00 0.00 1.22 0.00 0.00 59 E 7.70 3.85 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 2.25 2.49 0.00 60 L 8.14 4.11 0.00 1.70 1.77 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.37 3.63 2.18 0.00 0.00 0.00 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 0.95 0.00 0.00 62 N 7.77 4.19 0.00 2.44 2.77 0.00 0.00 7.16 8.13 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 63 F 7.39 4.55 0.00 3.36 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 64 L 8.61 4.30 0.00 1.91 1.81 1.16 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.88 4.05 0.00 3.80 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 66 Y 7.61 4.34 0.00 3.00 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 67 F 8.38 4.54 0.00 3.34 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.97 3.71 2.27 0.00 0.00 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 0.00 0.00 1.08 0.00 0.00 69 E 8.36 4.00 0.00 2.33 2.05 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 2.33 2.56 0.00 70 L 8.18 4.42 0.00 1.83 1.81 1.09 0.79 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 71 G 7.69 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.84 4.39 4.27 0.00 0.00 0.00 0.00 0.00 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 73 Q 7.83 4.04 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 74 P 0.00 4.41 0.00 2.04 2.12 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 75 A 7.86 4.13 1.31 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 0.00 0.00 0.00 76 T 7.80 3.98 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 1.34 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.