NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4012 8.1627 120.6045 55.5117 34.0435 173.5096 2 Q 4.8456 8.3985 126.9424 52.7516 31.4631 172.5349 3 I 4.5915 8.8578 119.2228 59.2609 42.2635 173.3126 4 F 5.4862 9.1074 121.3431 55.7839 42.6451 174.9296 5 V 4.8483 8.9666 121.1165 61.3221 34.3299 174.3853 6 K 5.0186 9.3088 128.4154 55.3593 34.0848 176.1458 7 T 4.9484 8.5577 114.2870 59.6583 71.2699 174.5602 8 L 4.1403 8.5363 121.5041 58.1753 41.9743 179.1150 9 T 4.0628 7.6287 108.2262 61.7389 68.4106 177.2305 10 G 4.0103 8.1445 110.8979 46.6471 0.0000 174.9358 11 K 4.2221 7.7889 122.0756 56.8827 33.2503 175.6682 12 T 5.1749 8.4580 115.5230 59.9787 71.7170 173.0975 13 I 4.7321 8.9790 123.7051 59.9277 41.0901 174.3648 14 T 5.0806 8.6120 121.8830 61.8699 70.7770 173.7321 15 L 4.8005 8.5943 125.0899 52.8221 46.1515 175.0470 16 E 4.7539 8.6963 123.1418 55.0027 30.6091 175.1628 17 V 4.7480 8.9975 119.6083 60.0198 36.5104 174.2983 18 E 4.8473 8.6604 120.0039 53.8011 32.3511 176.2133 19 P 4.2615 0.0000 0.0000 65.6106 31.5382 178.1074 20 S 4.3774 7.8851 111.1974 58.8120 63.8675 174.0967 21 D 4.3966 7.8605 123.3135 54.8696 41.2702 176.3364 22 T 4.7472 8.2152 113.8534 61.0345 71.4491 175.9947 23 I 3.7304 8.5411 123.0894 64.4238 37.0431 178.4438 24 E 3.9221 8.1411 119.9865 59.4437 29.4800 178.7017 25 N 4.3595 8.0702 116.4668 56.2226 38.5549 177.6133 26 V 3.5819 7.8327 119.7067 65.9436 31.6202 178.2639 27 K 4.2929 8.6649 119.6765 58.7485 31.8417 179.1356 28 A 3.9893 8.0497 121.1079 55.2498 18.3315 179.8717 29 K 3.9559 8.1802 116.9090 59.6284 31.9612 179.7264 30 I 3.7617 7.7442 120.2959 64.2545 37.0098 178.1722 31 Q 4.2340 8.1776 121.8883 58.7737 28.6252 178.1070 32 D 4.4134 7.8771 119.0700 57.2155 40.9236 178.4218 33 K 4.2357 7.8125 117.3304 57.9491 32.4215 178.0498 34 E 4.6513 8.3745 116.0250 54.9281 31.1537 177.0929 35 G 3.8960 8.4646 107.0575 45.5121 0.0000 173.4738 36 I 4.0181 7.3835 121.4998 59.6177 37.9752 173.7675 37 P 4.3984 0.0000 0.0000 61.9072 32.1215 175.4646 38 P 4.2853 0.0000 0.0000 65.7490 31.4287 178.3596 39 D 4.4434 8.0638 116.0320 55.9465 39.4658 177.1753 40 Q 4.6641 8.0698 117.5714 56.4666 29.3979 175.3362 41 Q 4.5935 7.9111 118.5683 55.3979 30.4466 175.2478 42 R 4.6561 8.7719 122.0155 54.4397 33.7449 174.2551 43 L 5.2351 8.5387 123.6704 53.1111 44.5264 175.5471 44 I 5.1162 8.8278 123.3177 59.7124 41.5362 174.4143 45 F 4.9701 9.4037 127.2303 57.5664 43.1297 174.0692 46 A 3.3700 9.0298 129.4877 53.1900 15.8074 177.5126 47 G 3.9606 8.2846 106.8260 45.7964 0.0000 173.5968 48 K 4.6071 7.8166 119.0533 54.2055 35.1119 174.7887 49 Q 4.5830 8.4919 123.9379 55.5030 29.6787 175.3856 50 L 4.0935 8.7714 127.4447 54.6381 42.8252 176.2350 51 E 4.4698 9.2711 122.6342 55.2967 30.9820 176.8647 52 D 4.3994 9.2584 124.8286 57.6990 41.0477 179.4401 53 G 3.6577 8.0280 105.4003 47.7066 0.0000 173.7723 54 R 4.2807 7.9784 119.9760 55.6674 31.1431 175.1978 55 T 5.0643 8.1466 109.3497 59.7077 71.3965 175.3489 56 L 4.1915 8.5865 121.8665 58.0085 41.4610 179.7815 57 S 4.1200 8.3463 113.2887 61.5776 62.0394 176.0097 58 D 4.3365 7.8342 120.5277 56.5483 39.9494 177.2905 59 Y 4.6024 7.7958 115.6014 56.5066 38.0960 175.1821 60 N 4.0973 8.0576 116.9507 54.4921 38.0338 174.1876 61 I 3.7988 7.1883 114.4725 60.5825 37.5447 176.0958 62 Q 4.5650 8.1701 125.0679 53.2189 31.0599 175.1261 63 K 4.0993 8.2112 117.8373 58.6403 32.6412 176.9213 64 E 3.8030 9.3949 121.5104 56.4233 29.4806 174.6821 65 S 4.5875 7.7865 114.1074 59.6782 64.3391 173.4180 66 T 5.1423 8.7178 112.8107 60.3179 70.1601 173.5056 67 L 4.8486 9.0963 127.3212 53.8365 44.1697 175.4554 68 H 5.3390 9.0601 118.5667 54.0515 31.5647 173.2322 69 L 5.2943 8.9170 124.3046 53.4778 44.5288 176.0090 70 V 4.6216 8.6231 117.5658 59.7150 36.1539 174.2301 71 L 5.2420 8.5432 123.3490 53.4138 43.7937 176.1356 72 R 4.6940 9.0054 120.7198 54.5604 34.9601 174.3951 73 L 4.5908 8.4798 122.7192 53.3939 42.3607 177.0289 74 R 4.2025 8.2421 124.1021 55.0261 32.1443 177.0301 *75 G 3.7274 8.4488 106.9092 46.4316 0.0000 172.7670 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 M 8.16 4.40 0.00 2.29 1.97 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 2 Q 8.40 4.85 0.00 2.10 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.64 0.00 0.00 0.00 0.00 0.00 1.65 2.09 0.00 3 I 8.86 4.59 1.72 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.64 0.77 0.00 0.00 4 F 9.11 5.49 0.00 3.01 2.92 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 5 V 8.97 4.85 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 0.86 0.00 0.00 0.92 0.00 0.00 6 K 9.31 5.02 0.00 1.52 1.68 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.32 7.81 7 T 8.56 4.95 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 1.26 0.00 0.00 8 L 8.54 4.14 0.00 1.74 1.77 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.63 4.06 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 1.22 0.00 0.00 10 G 8.14 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 0.00 0.00 0.00 11 K 7.79 4.22 0.00 1.92 1.70 0.00 1.47 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.45 7.81 12 T 8.46 5.17 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 1.23 0.00 0.00 13 I 8.98 4.73 1.90 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 1.25 0.90 0.93 0.00 0.00 14 T 8.61 5.08 4.29 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 1.15 0.00 0.00 15 L 8.59 4.80 0.00 1.47 1.44 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.70 4.75 0.00 1.92 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 2.17 2.23 0.00 17 V 9.00 4.75 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 0.73 0.00 0.00 0.92 0.00 0.00 18 E 8.66 4.85 0.00 1.86 1.79 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 2.19 2.34 0.00 19 P 0.00 4.26 0.00 2.20 2.29 0.00 3.66 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 2.05 1.94 0.00 20 S 7.89 4.38 0.00 3.99 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 21 D 7.86 4.40 0.00 3.00 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 22 T 8.22 4.75 4.50 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 1.21 0.00 0.00 23 I 8.54 3.73 2.15 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 1.78 1.15 0.91 0.00 0.00 24 E 8.14 3.92 0.00 2.17 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 2.31 2.36 0.00 25 N 8.07 4.36 0.00 2.97 2.84 0.00 0.00 6.68 7.69 0.00 0.00 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 V 7.83 3.58 2.22 0.00 0.00 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 0.00 0.00 0.90 0.00 0.00 27 K 8.66 4.29 0.00 1.98 1.84 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.49 7.81 28 A 8.05 3.99 1.39 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 0.00 0.00 0.00 29 K 8.18 3.96 0.00 1.96 1.86 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.66 7.81 30 I 7.74 3.76 2.15 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.86 0.91 0.00 0.00 31 Q 8.18 4.23 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 32 D 7.88 4.41 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.81 4.24 0.00 1.72 1.86 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 34 E 8.37 4.65 0.00 1.88 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 2.23 2.42 0.00 35 G 8.46 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 0.00 0.00 0.00 36 I 7.38 4.02 1.87 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 1.42 0.78 0.91 0.00 0.00 37 P 0.00 4.40 0.00 2.31 1.97 0.00 3.78 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.29 0.00 2.17 2.12 0.00 3.60 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 2.12 2.09 0.00 39 D 8.06 4.44 0.00 2.76 2.81 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 40 Q 8.07 4.66 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 41 Q 7.91 4.59 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 42 R 8.77 4.66 0.00 1.82 1.79 0.00 3.26 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 43 L 8.54 5.24 0.00 1.54 1.51 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.83 5.12 1.91 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 1.11 0.72 0.97 0.00 0.00 45 F 9.40 4.97 0.00 2.95 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 46 A 9.03 3.37 0.85 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 0.00 0.00 0.00 0.00 0.00 47 G 8.28 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 48 K 7.82 4.61 0.00 1.82 1.72 0.00 1.85 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.35 7.81 49 Q 8.49 4.58 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 50 L 8.77 4.09 0.00 1.39 1.29 0.67 -0.29 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 51 E 9.27 4.47 0.00 2.04 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 2.36 2.45 0.00 52 D 9.26 4.40 0.00 2.72 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 53 G 8.03 3.66 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 0.00 0.00 0.00 54 R 7.98 4.28 0.00 2.06 1.85 0.00 3.26 0.00 0.00 3.03 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 55 T 8.15 5.06 4.45 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 1.22 0.00 0.00 56 L 8.59 4.19 0.00 1.86 1.71 0.91 0.71 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 57 S 8.35 4.12 0.00 3.94 3.86 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 58 D 7.83 4.34 0.00 2.60 2.32 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 59 Y 7.80 4.60 0.00 3.09 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 60 N 8.06 4.10 0.00 2.89 2.99 0.00 0.00 7.13 7.27 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 61 I 7.19 3.80 1.84 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.40 0.58 0.00 0.00 62 Q 8.17 4.56 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 63 K 8.21 4.10 0.00 1.81 1.79 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.44 7.81 64 E 9.39 3.80 0.00 2.10 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 0.00 2.36 2.73 0.00 65 S 7.79 4.59 0.00 3.76 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.72 5.14 4.30 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 1.35 0.00 0.00 67 L 9.10 4.85 0.00 1.74 1.62 0.58 0.76 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 68 H 9.06 5.34 0.00 3.16 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.92 5.29 0.00 1.57 1.65 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.62 4.62 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 0.70 0.00 0.00 0.94 0.00 0.00 71 L 8.54 5.24 0.00 1.52 1.57 0.92 0.89 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 72 R 9.01 4.69 0.00 1.68 1.74 0.00 3.11 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 73 L 8.48 4.59 0.00 1.63 1.62 0.92 0.93 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 74 R 8.24 4.20 0.00 1.80 1.91 0.00 3.40 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 *75 G 8.45 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.