NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3347 8.1693 120.6291 53.6023 43.1059 176.4195 2 P 4.2383 0.0000 0.0000 62.2697 31.8538 174.9930 3 D 4.5076 8.5944 120.9262 56.8445 41.9652 178.1215 4 S 4.7572 7.5845 110.5565 56.5001 66.1711 173.2284 5 V 4.1972 7.9198 119.8068 61.6222 34.3971 174.4613 6 D 4.4706 7.9875 125.4926 51.6198 42.1390 175.4564 7 W 4.2302 8.6440 126.8211 58.6664 29.1951 178.0653 8 R 4.1158 8.5772 118.8705 58.9837 29.2829 178.3879 9 E 4.1692 8.3172 117.4527 58.0661 29.4415 178.2137 10 K 4.5478 7.7875 116.7145 54.9049 32.6779 176.0109 11 G 4.0340 7.8002 106.5012 47.2508 0.0000 174.4358 12 C 4.6583 8.1747 113.9841 58.7768 28.6282 173.4952 13 V 4.4941 7.5501 119.8408 60.9214 33.0620 175.5226 14 T 4.2810 8.3795 117.7512 60.5786 69.8305 173.6950 15 E 4.1630 8.3268 119.4127 55.5748 30.2829 176.9161 16 V 3.5847 8.2198 120.2885 63.3061 32.0463 175.6701 17 K 4.3825 8.1755 125.4460 54.8222 34.1697 175.2649 18 Y 4.4156 7.9250 121.1805 55.6540 39.3442 175.4676 19 Q 4.0353 7.9714 126.4007 56.6238 29.9723 177.5693 20 G 3.7467 6.2258 106.7710 46.4935 0.0000 174.3526 21 S 4.4472 8.6770 122.1400 58.6702 62.8932 173.8235 22 C 4.7625 7.5755 121.1336 54.7488 44.6178 175.4378 23 G 3.9017 8.6495 118.1601 45.3863 0.0000 173.1163 24 A 4.4683 7.7152 120.1248 52.0973 20.3041 177.6072 25 C 4.1238 8.3192 119.1026 62.9378 29.3885 175.6529 26 W 4.2240 8.4063 118.4509 59.2987 27.6245 178.0163 27 A 3.3233 6.0472 120.9219 54.5172 17.7069 179.5004 28 F 3.9749 7.7341 116.3779 60.3589 38.9358 177.9536 29 S 4.0969 8.5120 113.0649 61.2421 62.2491 175.9954 30 A 3.9570 8.0011 123.3270 55.4700 18.2226 180.0665 31 V 3.6478 7.8507 110.9781 64.3982 31.0343 179.0192 32 G 3.8941 8.2350 105.3358 47.1376 0.0000 175.6258 33 A 3.9478 7.9530 123.1008 54.8692 18.3898 179.5656 34 L 3.9700 7.9070 118.8881 58.0861 42.0497 178.8014 35 E 3.9377 8.7515 118.9023 59.3513 29.3658 179.2682 36 A 4.1049 7.4954 121.0871 54.7186 18.3821 179.6638 37 Q 3.8149 7.5194 115.1879 58.9967 28.7229 178.7801 38 L 3.8953 8.2380 121.7150 58.0893 42.0672 178.9783 39 K 4.1866 7.9230 120.8141 59.0715 31.9282 178.8569 40 L 4.1129 7.9511 120.7732 58.0483 41.5492 179.8026 41 K 4.2387 8.1751 123.3074 58.8100 32.0283 181.1056 42 T 4.6609 8.4290 108.8446 60.8960 70.1621 175.7393 43 G 3.9572 8.3238 109.4257 44.9378 0.0000 173.0625 44 K 4.4391 7.7119 119.7776 54.3003 33.8416 175.0409 45 L 4.6312 8.4167 125.8654 53.6923 42.4450 175.7588 46 V 4.4282 8.0154 125.1710 60.8301 34.3822 174.9637 47 S 4.4498 8.7294 123.4586 58.5733 63.3338 173.8121 48 L 4.4668 8.6732 125.3842 52.9213 43.6114 176.7601 49 S 4.1553 8.2581 114.9442 57.7837 61.8902 174.6303 50 A 3.6757 8.2224 131.3951 54.7768 17.9090 178.6443 51 Q 3.7514 7.7510 117.8604 59.0933 29.1466 177.6042 52 N 4.2091 8.2142 118.5288 56.8052 38.8373 176.8751 53 L 3.9961 7.3127 119.0588 57.6433 41.4794 179.4354 54 V 3.7394 7.2937 117.0005 66.4358 31.5275 177.5527 55 D 4.5535 8.3210 117.1702 56.3721 40.7945 176.5723 56 C 4.7708 8.1110 115.3717 57.9707 37.4023 174.7195 57 S 4.3846 8.0882 116.6131 57.0323 61.2896 173.5997 *1057 T 4.8096 7.0664 117.4547 61.3725 69.9107 175.9014 *2057 E 4.2081 9.1260 118.7981 56.5317 31.0529 176.1108 *3057 K 4.1166 7.9087 122.2665 54.7851 32.4685 177.2575 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 L 8.17 4.33 0.00 1.66 1.68 0.94 0.76 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 2 P 0.00 4.24 0.00 2.38 2.01 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 3 D 8.59 4.51 0.00 2.67 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 4 S 7.58 4.76 0.00 3.87 3.75 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 0.00 5 V 7.92 4.20 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 0.34 0.00 0.00 0.83 0.00 0.00 6 D 7.99 4.47 0.00 2.61 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 W 8.64 4.23 0.00 3.48 3.28 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 8 R 8.58 4.12 0.00 2.05 2.01 0.00 3.15 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 9 E 8.32 4.17 0.00 1.95 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 2.32 2.40 0.00 10 K 7.79 4.55 0.00 1.96 1.93 0.00 0.95 0.00 0.00 1.35 0.00 0.00 2.56 0.00 0.00 2.21 0.00 0.00 0.00 0.00 1.24 1.31 7.81 11 G 7.80 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.17 4.66 0.00 3.39 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 13 V 7.55 4.49 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 0.90 0.00 0.00 1.10 0.00 0.00 14 T 8.38 4.28 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 1.29 0.00 0.00 15 E 8.33 4.16 0.00 2.10 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 2.29 2.30 0.00 16 V 8.22 3.58 2.06 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 0.78 0.00 0.00 0.93 0.00 0.00 17 K 8.18 4.38 0.00 1.01 1.30 0.00 1.81 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.52 7.81 18 Y 7.93 4.42 0.00 2.77 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 19 Q 7.97 4.04 0.00 2.46 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.59 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 20 G 6.23 3.75 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 0.00 0.00 0.00 0.00 21 S 8.68 4.45 0.00 3.88 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 22 C 7.58 4.76 0.00 2.95 3.16 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 23 G 8.65 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 24 A 7.72 4.47 1.06 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 0.00 0.00 25 C 8.32 4.12 0.00 3.24 3.30 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 26 W 8.41 4.22 0.00 3.69 3.39 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 27 A 6.05 3.32 0.12 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 0.00 0.00 0.00 0.00 0.00 0.00 28 F 7.73 3.97 0.00 3.25 3.03 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 0.00 0.00 0.00 29 S 8.51 4.10 0.00 3.99 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 30 A 8.00 3.96 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 31 V 7.85 3.65 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 0.61 0.00 0.00 0.98 0.00 0.00 32 G 8.24 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 33 A 7.95 3.95 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.91 3.97 0.00 1.76 1.77 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.75 3.94 0.00 2.16 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 2.54 2.50 0.00 36 A 7.50 4.10 1.16 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 0.00 0.00 37 Q 7.52 3.81 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 38 L 8.24 3.90 0.00 1.78 1.83 0.91 0.44 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 39 K 7.92 4.19 0.00 1.93 1.99 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.23 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.43 7.81 40 L 7.95 4.11 0.00 1.79 1.72 0.70 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.18 4.24 0.00 1.85 1.71 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.31 7.81 42 T 8.43 4.66 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 43 G 8.32 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 44 K 7.71 4.44 0.00 1.78 1.72 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.34 7.81 45 L 8.42 4.63 0.00 1.60 1.60 0.94 1.01 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 46 V 8.02 4.43 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 0.90 0.00 0.00 0.93 0.00 0.00 47 S 8.73 4.45 0.00 3.92 3.82 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 0.00 0.00 0.00 48 L 8.67 4.47 0.00 1.56 1.54 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.26 4.16 0.00 3.81 3.71 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 50 A 8.22 3.68 0.25 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 0.00 0.00 0.00 51 Q 7.75 3.75 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 52 N 8.21 4.21 0.00 2.75 2.92 0.00 0.00 7.20 6.78 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 53 L 7.31 4.00 0.00 1.57 1.57 0.76 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.29 3.74 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 0.87 0.00 0.00 0.69 0.00 0.00 55 D 8.32 4.55 0.00 2.67 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 56 C 8.11 4.77 0.00 3.04 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.09 4.38 0.00 3.96 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 0.00 *1057 T 7.07 4.81 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 1.29 0.00 0.00 *2057 E 9.13 4.21 0.00 1.99 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 0.00 2.20 2.35 0.00 *3057 K 7.91 4.12 0.00 1.80 1.62 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 * Residues marked with a * may have inaccurate shift predictions.