NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4599 8.1814 115.4128 57.8132 64.6494 174.1571 2 G 3.4461 8.4208 106.1488 47.2694 0.0000 174.4348 3 I 3.6708 7.8391 121.8016 64.4900 37.8509 176.9946 4 V 3.8845 7.7509 121.1157 66.6334 31.2705 178.6919 5 Q 4.1029 8.1120 120.5672 60.0063 27.9353 181.7190 6 Q 4.2173 8.0438 119.1860 59.1935 28.6452 178.7929 7 Q 4.0927 8.1558 119.1961 58.7726 28.6706 178.2182 8 N 4.3086 8.0080 117.9063 56.5436 38.9311 176.8325 9 N 4.3146 8.2246 117.9337 56.4538 38.7651 177.4935 10 L 3.9984 8.5231 120.6825 57.4478 41.5432 179.3621 11 L 3.9416 8.2246 120.6721 58.4065 42.0608 179.3588 12 R 4.6059 8.1109 118.6320 58.7091 29.9520 178.8642 13 A 4.0329 8.2220 120.7257 55.3045 18.3295 179.8163 14 I 3.7252 7.8441 118.2863 64.2868 37.0753 178.4728 15 E 3.9238 8.4389 119.5495 59.4234 29.3507 179.0980 16 A 4.0628 8.3514 121.0797 55.4661 18.4461 179.4082 17 Q 3.9679 8.2608 117.8619 59.4418 28.9761 178.5989 18 Q 3.9931 8.1811 119.1830 59.1363 28.6373 178.4835 19 H 4.1376 8.0566 116.8571 58.9608 28.7271 177.8129 20 L 4.0383 7.8047 120.3630 57.5912 41.3086 179.4494 21 L 3.9717 7.9836 120.2367 58.4210 42.0443 179.0604 22 Q 4.0804 8.2990 118.0840 59.0242 28.5395 178.9439 23 L 4.0933 8.4283 120.4472 58.1966 41.6513 179.7301 24 T 4.0576 8.3890 115.9662 66.4362 68.2642 177.1366 25 V 3.9051 8.4095 120.8995 65.6701 31.5749 177.6023 26 W 4.2836 8.7197 128.6435 60.7080 30.5735 177.9722 27 G 3.8091 8.9842 105.6027 48.2731 0.0000 175.4671 28 T 3.8744 8.0933 117.9402 66.3760 68.4306 176.6972 29 K 3.8291 8.2786 120.5066 59.5437 31.8535 179.3667 30 Q 3.6288 7.2942 116.7808 58.8411 28.8696 178.6606 31 L 3.9803 7.7137 119.8918 57.7932 41.5276 179.3914 32 Q 3.5006 8.2844 119.5701 58.4318 28.4500 176.8676 33 A 4.4424 7.6603 122.6977 52.7978 19.0115 178.6765 34 R 4.2701 7.5573 121.5095 58.5881 33.0739 180.2551 35 I 4.4148 7.2843 114.6207 58.4361 35.9407 176.8805 *40 R 4.3043 7.4036 123.6215 57.3042 31.1284 173.9571 41 G 4.8694 8.4256 114.8105 45.0539 0.0000 173.0749 42 G 3.9229 8.2715 109.3789 45.6768 0.0000 175.0040 43 W 4.0558 8.6142 123.3924 59.1950 28.9315 178.1807 44 M 4.1261 8.4177 118.8062 58.8143 31.3074 178.1217 45 E 4.0525 8.2420 118.4503 58.5349 29.8885 178.2559 46 W 4.1356 7.7542 128.4870 60.5087 30.7666 177.6718 47 D 4.2690 9.1309 119.1399 57.4875 40.4382 178.9864 48 R 3.9285 7.7929 118.6293 59.2917 29.9899 178.9790 49 E 3.9916 8.4121 118.5333 59.3615 29.4203 179.3557 50 I 3.4938 7.5662 119.7708 64.5224 37.1841 177.9764 51 N 4.2334 8.0129 117.0764 56.5862 38.3962 176.5791 52 N 4.0961 7.9023 117.6054 57.2590 39.0120 176.5371 53 Y 4.0555 7.7002 117.4298 61.0662 37.8643 178.8434 54 T 3.8478 8.1170 116.8970 66.8381 68.5989 176.7971 55 S 4.1292 8.0750 116.9709 61.4093 62.7382 176.5740 56 L 3.9231 7.9852 122.9541 58.2890 41.9034 179.1228 57 I 3.6250 8.3356 120.0552 64.8022 37.0290 178.2495 58 H 4.4124 8.4712 117.1776 58.5289 28.4443 177.9757 59 S 4.0793 8.1857 115.3056 61.3798 62.2419 176.1186 60 L 4.0188 8.6070 122.4799 57.7573 41.2417 179.5325 61 I 3.6855 8.2985 119.9789 64.6497 37.0720 178.3592 62 E 4.7667 8.1725 120.5833 58.8818 29.2508 179.1492 63 E 3.9150 8.2601 119.4308 59.5107 29.6951 179.1604 64 S 4.1834 8.2700 115.2721 61.4888 62.7933 176.7592 65 Q 3.9530 8.2561 121.2109 58.7577 28.4706 178.0567 66 N 4.2466 8.3439 118.1916 56.8838 38.9473 176.8214 67 Q 3.9810 8.1161 119.2332 59.0287 28.9368 178.5081 68 Q 3.9613 8.5989 120.8305 59.3803 29.0477 178.4845 69 E 4.0206 8.4718 121.8341 59.9622 29.6461 180.1281 70 K 4.0117 8.1181 123.6393 59.9971 31.8033 180.7051 71 N 4.6345 8.5109 118.3899 56.1427 38.4107 177.4979 72 E 4.0402 8.2020 120.1727 59.1804 29.3860 179.1306 73 Q 4.1265 8.1396 116.4394 58.1531 28.7489 177.2287 74 E 4.4146 7.4836 117.7208 54.7730 30.8536 175.2275 75 L 3.6108 7.7296 117.8738 55.7465 39.5582 174.6148 76 L 4.2254 8.0189 122.3626 55.0677 41.6114 177.3838 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 S 8.18 4.46 0.00 4.02 4.10 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 0.00 0.00 0.00 0.00 2 G 8.42 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.84 3.67 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 0.55 0.91 0.00 0.00 4 V 7.75 3.88 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 0.99 0.00 0.00 0.93 0.00 0.00 5 Q 8.11 4.10 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 6 Q 8.04 4.22 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 7 Q 8.16 4.09 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 8 N 8.01 4.31 0.00 2.90 3.04 0.00 0.00 7.15 6.03 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 9 N 8.22 4.31 0.00 3.03 2.84 0.00 0.00 7.02 6.34 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 10 L 8.52 4.00 0.00 1.64 1.72 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.22 3.94 0.00 1.84 1.87 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.11 4.61 0.00 2.02 1.97 0.00 3.20 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 13 A 8.22 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.84 3.73 2.07 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 0.78 0.90 0.00 0.00 15 E 8.44 3.92 0.00 2.19 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 2.35 2.56 0.00 16 A 8.35 4.06 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 3.97 0.00 2.33 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 18 Q 8.18 3.99 0.00 2.36 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 19 H 8.06 4.14 0.00 3.39 3.36 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.80 4.04 0.00 1.85 1.75 0.94 0.90 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 21 L 7.98 3.97 0.00 2.06 1.72 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.30 4.08 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 23 L 8.43 4.09 0.00 1.99 1.76 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.39 4.06 4.47 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 1.32 0.00 0.00 25 V 8.41 3.91 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.08 0.00 0.00 26 W 8.72 4.28 0.00 3.59 3.43 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 0.00 27 G 8.98 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 28 T 8.09 3.87 4.75 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 0.00 0.00 1.12 0.00 0.00 29 K 8.28 3.83 0.00 1.83 1.72 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.69 1.93 7.81 30 Q 7.29 3.63 0.00 1.71 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 31 L 7.71 3.98 0.00 1.85 1.57 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.28 3.50 0.00 0.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.04 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 33 A 7.66 4.44 1.14 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 34 R 7.56 4.27 0.00 1.73 1.77 0.00 3.22 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 35 I 7.28 4.41 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 1.18 1.23 0.91 0.00 0.00 *40 R 7.40 4.30 0.00 2.08 1.89 0.00 3.48 0.00 0.00 3.23 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.21 0.00 41 G 8.43 4.87 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 0.00 0.00 0.00 42 G 8.27 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.61 4.06 0.00 3.48 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 M 8.42 4.13 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.19 0.00 45 E 8.24 4.05 0.00 2.07 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 2.41 2.39 0.00 46 W 7.75 4.14 0.00 3.02 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.13 4.27 0.00 2.96 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 48 R 7.79 3.93 0.00 2.06 1.97 0.00 3.24 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 49 E 8.41 3.99 0.00 2.15 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 2.49 2.56 0.00 50 I 7.57 3.49 1.66 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 -0.36 0.71 0.00 0.00 51 N 8.01 4.23 0.00 2.70 2.85 0.00 0.00 6.75 6.38 0.00 0.00 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 N 7.90 4.10 0.00 2.79 2.66 0.00 0.00 7.25 6.85 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 53 Y 7.70 4.06 0.00 3.00 2.96 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 54 T 8.12 3.85 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 55 S 8.07 4.13 0.00 3.97 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 56 L 7.99 3.92 0.00 1.69 1.81 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.34 3.63 1.93 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 1.56 0.80 0.85 0.00 0.00 58 H 8.47 4.41 0.00 3.25 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.19 4.08 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 60 L 8.61 4.02 0.00 1.83 1.71 0.94 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.30 3.69 2.07 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 1.51 0.78 0.93 0.00 0.00 62 E 8.17 4.77 0.00 2.04 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 2.48 2.44 0.00 63 E 8.26 3.92 0.00 2.17 2.14 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 2.31 2.35 0.00 64 S 8.27 4.18 0.00 4.08 3.90 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 0.00 0.00 0.00 0.00 65 Q 8.26 3.95 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 66 N 8.34 4.25 0.00 2.82 3.01 0.00 0.00 7.25 7.35 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 67 Q 8.12 3.98 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 68 Q 8.60 3.96 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 69 E 8.47 4.02 0.00 2.23 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 2.56 0.00 70 K 8.12 4.01 0.00 1.77 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 71 N 8.51 4.63 0.00 2.71 2.90 0.00 0.00 7.08 7.59 0.00 0.00 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 E 8.20 4.04 0.00 2.18 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 2.33 2.56 0.00 73 Q 8.14 4.13 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 74 E 7.48 4.41 0.00 2.07 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 2.26 2.41 0.00 75 L 7.73 3.61 0.00 1.78 1.74 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.02 4.23 0.00 1.62 1.57 0.96 0.65 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 * Residues marked with a * may have inaccurate shift predictions.