NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4806 8.2893 120.3483 55.5202 33.5418 175.5004 2 N 4.6617 8.4326 124.4856 50.2930 40.9286 174.0925 3 K 3.8991 9.1339 121.0764 60.0853 32.6712 179.8184 4 T 3.8530 7.9367 115.5082 66.7923 68.3267 176.2556 5 E 4.0485 8.8230 120.7112 58.9315 29.4046 179.1286 6 L 3.9415 7.7691 120.2730 58.2216 42.1630 178.9657 7 I 3.7265 8.0322 120.0433 64.4792 36.9700 178.1508 8 N 4.2966 8.0741 116.4717 56.2967 38.3342 177.3080 9 A 3.9751 8.1803 122.2320 55.0739 18.4636 179.8580 10 V 3.4774 8.2143 116.8936 65.9959 31.6680 177.9172 11 A 4.0048 8.0966 120.5412 55.3024 18.0420 179.0870 12 E 3.8823 8.0555 116.2029 59.8910 29.7744 178.9704 13 T 4.0627 7.9836 114.9041 66.3727 68.6940 176.4739 14 S 4.4583 8.6357 114.2200 58.4531 63.5052 175.1636 15 G 3.8583 7.9682 110.3082 45.9818 0.0000 173.3144 16 L 4.5941 7.2511 119.0036 52.7941 43.4496 177.3938 17 S 4.4037 8.1823 115.6787 57.9327 65.1824 175.2850 18 K 3.8468 8.6014 122.4670 59.7594 31.8045 179.3998 19 K 3.9268 7.9590 119.1179 59.7197 32.1453 178.4567 20 D 4.3856 7.8565 117.5421 57.0795 40.7808 178.6369 21 A 4.0266 8.3665 121.7126 55.1232 18.3151 179.9437 22 T 3.8268 8.0937 114.5631 66.7298 68.4964 177.0217 23 K 3.9355 7.9934 120.1188 59.4423 32.1243 179.3031 24 A 3.9192 8.3064 121.3194 55.1311 18.2103 179.8311 25 V 3.5332 7.9070 116.7763 66.2827 31.5356 178.0228 26 D 4.4337 8.2843 118.4095 57.2872 40.5844 178.5140 27 A 3.9294 8.2217 121.5253 55.0410 18.4261 179.7505 28 V 3.2613 7.6101 116.5746 66.3161 31.5844 178.3978 29 F 4.2290 7.5717 116.9047 60.2536 38.6654 177.6514 30 D 4.4054 8.4231 119.1201 57.2176 40.5702 178.9342 31 S 4.0751 8.3585 116.1563 61.5227 62.8554 176.6994 32 I 3.5979 7.4932 122.2476 64.6559 36.8320 178.5209 33 T 3.8393 7.7326 116.4025 66.7331 68.1713 176.2861 34 E 3.9211 8.4087 120.9870 59.0014 29.6292 178.6234 35 A 3.9927 8.1669 120.9343 55.2762 18.4609 179.5677 36 L 4.1122 7.9718 117.4372 58.0654 41.4753 179.7209 37 R 3.9079 7.9483 117.5488 59.1497 30.0576 177.8297 38 K 4.3166 7.6031 115.6814 56.4144 32.4116 177.7973 39 G 3.8940 8.1392 108.2933 45.0576 0.0000 173.1453 40 D 4.7502 7.6676 119.3110 53.6980 42.4007 175.1981 41 K 4.8896 8.5092 119.7326 54.4856 35.4511 176.0768 42 V 4.4000 9.1260 122.7450 61.4433 33.9281 174.3366 43 Q 4.9450 8.9220 127.3651 54.3406 30.8059 175.3004 44 L 4.7159 8.6459 125.6974 52.5652 43.8488 176.6505 45 I 3.8649 8.4299 125.6264 63.0743 37.7678 175.1588 46 G 4.3995 9.1969 118.5789 46.0144 0.0000 175.1736 47 F 4.1054 8.2850 122.3241 58.9431 39.9551 175.8605 48 G 3.8833 6.8972 107.4629 45.1816 0.0000 170.0342 49 N 5.6260 7.7669 116.5234 51.3545 42.0583 174.0830 50 F 5.5452 9.4268 121.5567 55.9315 41.7574 174.6665 51 E 5.0570 9.2180 120.1477 55.2176 33.7654 173.7018 52 V 4.8210 8.3718 119.6532 61.2919 33.5521 174.6967 53 R 4.7139 8.9745 127.0878 54.0883 32.7038 175.8011 54 E 4.1674 8.7790 122.6326 56.3833 29.7859 175.6435 55 R 4.2382 8.8133 130.4646 56.7562 28.4487 174.4074 *75 K 4.4182 7.3619 117.7164 56.0763 32.0240 175.2447 76 V 4.5587 8.5362 121.0771 59.1170 35.1243 174.7930 77 P 5.0645 0.0000 0.0000 62.6110 32.3456 175.2261 78 A 4.9310 9.3153 123.8045 50.5328 23.3479 174.6496 79 F 5.1166 8.6830 120.1783 56.3211 42.7738 174.0477 80 K 4.2512 8.1735 125.4143 53.4499 34.2483 173.9756 81 P 3.9626 0.0000 0.0000 62.4826 32.3404 176.5667 82 G 3.8016 8.5026 110.2088 45.0869 0.0000 174.6889 83 K 4.0355 8.6004 119.6725 59.2625 32.0186 178.5927 84 A 3.9726 7.8987 120.7659 54.9033 18.2984 179.1940 85 L 3.8948 7.6796 118.9185 58.3123 42.2146 179.3467 86 K 3.9572 8.0164 118.4100 59.5987 31.7220 179.1178 87 D 4.3456 8.2073 118.3162 57.2859 40.8051 178.3824 88 A 4.1401 8.1652 120.5574 54.5175 18.4598 179.1545 89 V 4.1391 7.3852 108.7299 61.7029 32.5458 176.8295 90 K 4.2403 7.8279 123.2700 57.3317 32.4722 176.3932 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 8.29 4.48 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.43 4.66 0.00 2.99 2.93 0.00 0.00 6.19 5.55 0.00 0.00 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 9.13 3.90 0.00 1.78 1.81 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.49 7.81 4 T 7.94 3.85 4.40 0.00 0.00 0.00 0.00 0.00 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 5 E 8.82 4.05 0.00 2.13 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 2.55 0.00 6 L 7.77 3.94 0.00 1.80 1.85 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.03 3.73 2.03 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 1.55 0.58 0.92 0.00 0.00 8 N 8.07 4.30 0.00 3.00 2.87 0.00 0.00 6.92 6.87 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 9 A 8.18 3.98 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 10 V 8.21 3.48 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 0.99 0.00 0.00 1.03 0.00 0.00 11 A 8.10 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.06 3.88 0.00 1.97 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 2.33 2.36 0.00 13 T 7.98 4.06 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 14 S 8.64 4.46 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.97 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 0.00 0.00 0.00 16 L 7.25 4.59 0.00 1.58 1.59 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.18 4.40 0.00 4.04 3.98 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 0.00 0.00 0.00 18 K 8.60 3.85 0.00 1.78 1.92 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.46 7.81 19 K 7.96 3.93 0.00 1.78 1.80 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.47 7.81 20 D 7.86 4.39 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.03 1.37 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 22 T 8.09 3.83 4.44 0.00 0.00 0.00 0.00 0.00 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 23 K 7.99 3.94 0.00 1.94 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.60 7.81 24 A 8.31 3.92 1.27 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 0.00 0.00 0.00 25 V 7.91 3.53 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 1.24 0.00 0.00 1.05 0.00 0.00 26 D 8.28 4.43 0.00 2.98 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 27 A 8.22 3.93 1.32 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 0.00 0.00 28 V 7.61 3.26 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 0.13 0.00 0.00 0.73 0.00 0.00 29 F 7.57 4.23 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.42 4.41 0.00 2.72 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 31 S 8.36 4.08 0.00 3.87 3.85 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 32 I 7.49 3.60 1.81 0.00 0.00 0.46 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 0.86 0.43 0.00 0.00 33 T 7.73 3.84 4.38 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 1.21 0.00 0.00 34 E 8.41 3.92 0.00 2.27 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 2.30 2.37 0.00 35 A 8.17 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 4.11 0.00 1.89 1.78 1.01 0.77 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 37 R 7.95 3.91 0.00 1.87 2.21 0.00 3.25 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 38 K 7.60 4.32 0.00 1.89 1.84 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.61 7.81 39 G 8.14 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 0.00 0.00 0.00 40 D 7.67 4.75 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 41 K 8.51 4.89 0.00 1.69 1.73 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.42 7.81 42 V 9.13 4.40 2.37 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 1.15 0.00 0.00 0.98 0.00 0.00 43 Q 8.92 4.94 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 44 L 8.65 4.72 0.00 2.00 1.75 1.11 0.82 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 45 I 8.43 3.86 1.91 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 1.37 0.36 0.94 0.00 0.00 46 G 9.20 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.28 4.11 0.00 3.19 3.21 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 0.00 0.00 0.00 48 G 6.90 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 0.00 0.00 0.00 49 N 7.77 5.63 0.00 2.50 2.69 0.00 0.00 7.31 7.80 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 50 F 9.43 5.55 0.00 3.04 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 51 E 9.22 5.06 0.00 2.05 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 2.22 2.29 0.00 52 V 8.37 4.82 2.12 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 0.86 0.00 0.00 1.05 0.00 0.00 53 R 8.97 4.71 0.00 1.77 1.81 0.00 3.20 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 54 E 8.78 4.17 0.00 1.96 1.92 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 2.33 2.26 0.00 55 R 8.81 4.24 0.00 1.87 2.17 0.00 3.28 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.40 0.00 *75 K 7.36 4.42 0.00 1.91 1.83 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.41 7.81 76 V 8.54 4.56 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 0.95 0.00 0.00 0.96 0.00 0.00 77 P 0.00 5.06 0.00 2.06 2.11 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 78 A 9.32 4.93 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.68 5.12 0.00 2.70 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 80 K 8.17 4.25 0.00 1.33 1.41 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.19 1.18 7.81 81 P 0.00 3.96 0.00 1.88 1.90 0.00 3.45 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.85 0.00 82 G 8.50 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.60 4.04 0.00 1.80 1.80 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.49 7.81 84 A 7.90 3.97 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 85 L 7.68 3.89 0.00 1.65 1.69 0.97 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.02 3.96 0.00 1.81 1.81 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.48 7.81 87 D 8.21 4.35 0.00 2.85 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 88 A 8.17 4.14 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.39 4.14 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 0.83 0.00 0.00 0.98 0.00 0.00 90 K 7.83 4.24 0.00 1.93 2.01 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.