NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8555 8.3501 109.7343 44.7343 0.0000 173.7835 3 A 4.1208 7.8703 121.8145 50.9513 19.3565 175.4698 4 Q 4.4617 9.3707 122.8117 54.2238 32.1158 172.6381 5 V 4.6296 8.3323 126.3355 61.3527 33.4750 174.6572 6 S 4.8167 8.3249 122.6542 56.7903 67.7265 172.6585 7 S 5.3766 8.4829 115.3848 57.0395 64.7743 173.8332 8 Q 4.2626 8.9586 122.4484 55.3791 29.5397 176.7991 9 K 4.1164 8.6463 124.9266 55.2235 30.7873 175.3037 10 V 3.6762 8.1464 124.2721 62.5471 33.4830 174.3145 11 G 3.3684 9.1100 118.3644 46.9409 0.0000 175.0373 12 A 4.2232 8.9808 124.2153 51.2424 19.6853 178.4822 13 H 4.4444 8.4382 120.7621 55.4710 29.7685 175.3265 14 E 3.9168 8.9460 125.0583 59.1008 29.6018 177.2220 *23 S 4.2493 7.6138 110.2529 57.5974 64.1020 173.1067 24 T 3.8987 8.3777 115.5586 62.8985 67.6688 172.9686 25 I 4.5753 8.2431 127.8147 59.8622 39.6096 174.4397 26 N 5.7394 8.8062 122.9091 51.7511 41.7792 173.0335 27 Y 5.0401 9.0205 118.0580 55.6841 42.0813 174.1795 28 T 5.0567 8.6063 115.6994 62.0858 71.7503 173.7602 29 T 4.7425 8.8532 121.6851 61.7969 72.5245 173.0439 30 I 4.7226 7.9753 124.8417 59.5057 40.7193 174.6194 31 N 4.3050 8.6042 124.5838 52.7514 39.1830 174.7097 32 Y 4.4944 8.0396 120.2294 58.5649 38.9646 175.1617 33 Y 4.9084 7.5739 116.2465 55.7927 40.6496 175.8039 34 R 4.0523 8.7130 122.8265 59.2007 30.7065 176.8606 35 D 4.6415 8.0980 118.9889 53.4197 41.5689 177.3936 36 S 4.1064 8.8090 118.9503 60.8402 63.2657 176.2881 37 A 4.0686 7.9797 123.2158 55.0240 18.2591 178.7221 38 S 4.1906 8.0386 111.5799 60.9746 63.1532 174.9428 39 N 4.3568 7.6964 116.9539 53.0337 38.6706 174.6970 40 A 4.2058 8.3405 124.4730 51.6491 19.3814 176.5640 41 A 4.3948 8.2487 122.8425 51.3268 19.2172 178.3401 42 S 4.1757 8.7799 118.2546 59.3586 63.2897 175.3198 43 K 4.0239 7.9913 116.0423 56.2337 30.1965 176.2240 44 Q 4.2046 7.9360 119.6839 54.7177 26.8808 174.9400 45 D 4.7585 7.3988 120.2188 52.6365 43.4707 176.0312 46 F 4.6515 8.3908 119.6396 56.2109 40.8462 175.8424 47 S 4.8240 8.5233 119.5398 57.1764 64.4635 173.3022 48 Q 4.7194 8.2843 119.6859 54.2703 31.5558 174.0052 49 D 4.8065 8.3051 117.6200 52.3548 42.5521 174.5630 50 P 4.6189 0.0000 0.0000 64.9217 32.3508 179.2561 51 S 3.9612 8.2373 117.0313 61.5240 62.6489 176.8885 52 K 4.0888 7.7844 117.5956 58.9178 32.4815 177.4123 53 F 4.8513 8.2479 117.8243 59.2046 40.1404 177.2486 54 T 4.2091 7.9707 108.9833 63.7610 69.8505 174.5916 55 E 4.7537 8.5459 121.4119 54.6026 29.9981 174.1231 56 P 4.8171 0.0000 0.0000 62.9340 31.9315 176.8396 57 I 4.1523 7.5594 112.5346 60.3769 38.7566 175.5669 58 K 3.8569 8.8216 124.9468 59.5144 32.0489 176.6721 59 D 4.6006 8.1527 120.6237 53.5871 40.4126 175.8694 60 V 3.2578 7.3666 122.8800 61.1190 32.5444 174.8328 61 L 4.5285 8.3535 127.6441 54.1011 42.1821 175.8105 62 I 4.2451 8.0894 123.8602 59.3653 37.4844 176.5830 63 K 3.9873 8.7454 126.2614 59.7087 32.3468 178.0803 64 T 4.0598 7.8709 107.6245 62.6086 69.4044 174.4409 65 A 4.5131 7.5508 125.3112 49.4839 20.4340 174.9003 66 P 4.2206 0.0000 0.0000 63.2451 31.3311 175.9248 67 M 3.9867 8.8741 123.6612 57.5981 32.1504 175.9494 68 L 4.6979 7.7707 117.7094 52.8220 43.7490 175.7111 69 N 4.5275 8.5413 121.3266 53.7717 39.2175 173.6743 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 2 G 8.35 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 3 A 7.87 4.12 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.37 4.46 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.72 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 5 V 8.33 4.63 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 0.79 0.00 0.00 0.87 0.00 0.00 6 S 8.32 4.82 0.00 3.23 3.59 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 0.00 0.00 0.00 0.00 7 S 8.48 5.38 0.00 3.97 3.97 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 0.00 0.00 0.00 8 Q 8.96 4.26 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.25 0.00 0.00 0.00 0.00 0.00 2.51 2.65 0.00 9 K 8.65 4.12 0.00 1.71 1.74 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.42 7.81 10 V 8.15 3.68 2.13 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 0.71 0.00 0.00 0.95 0.00 0.00 11 G 9.11 3.37 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 0.00 12 A 8.98 4.22 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 13 H 8.44 4.44 0.00 3.17 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.95 3.92 0.00 1.93 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 2.30 2.32 0.00 *23 S 7.61 4.25 0.00 4.05 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 24 T 8.38 3.90 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 1.22 0.00 0.00 25 I 8.24 4.58 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 0.67 1.00 0.00 0.00 26 N 8.81 5.74 0.00 2.59 2.75 0.00 0.00 6.78 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 9.02 5.04 0.00 2.93 2.97 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 0.00 0.00 0.00 28 T 8.61 5.06 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 1.19 0.00 0.00 29 T 8.85 4.74 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 1.16 0.00 0.00 30 I 7.98 4.72 1.78 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.56 0.86 0.00 0.00 31 N 8.60 4.31 0.00 2.62 2.70 0.00 0.00 7.07 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.04 4.49 0.00 2.37 2.48 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 33 Y 7.57 4.91 0.00 2.97 2.85 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 34 R 8.71 4.05 0.00 1.82 2.03 0.00 3.26 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 1.65 1.68 0.00 35 D 8.10 4.64 0.00 2.76 2.59 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 0.00 0.00 0.00 0.00 36 S 8.81 4.11 0.00 4.01 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 37 A 7.98 4.07 1.29 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 0.00 0.00 0.00 38 S 8.04 4.19 0.00 4.04 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.70 4.36 0.00 2.81 2.77 0.00 0.00 6.96 7.96 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 40 A 8.34 4.21 1.28 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 0.00 0.00 41 A 8.25 4.39 1.26 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 0.00 0.00 0.00 42 S 8.78 4.18 0.00 4.03 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 43 K 7.99 4.02 0.00 1.91 1.92 0.00 1.79 0.00 0.00 0.61 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.31 7.81 44 Q 7.94 4.20 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 45 D 7.40 4.76 0.00 2.62 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.39 4.65 0.00 3.13 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 47 S 8.52 4.82 0.00 3.91 3.83 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 0.00 0.00 0.00 48 Q 8.28 4.72 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 49 D 8.31 4.81 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.62 0.00 2.36 2.42 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 51 S 8.24 3.96 0.00 3.82 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 52 K 7.78 4.09 0.00 1.53 1.65 0.00 0.79 0.00 0.00 1.29 0.00 0.00 2.82 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.35 0.21 7.81 53 F 8.25 4.85 0.00 3.11 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 54 T 7.97 4.21 4.28 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 1.29 0.00 0.00 55 E 8.55 4.75 0.00 1.93 1.86 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 2.22 2.23 0.00 56 P 0.00 4.82 0.00 2.18 2.24 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 57 I 7.56 4.15 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 0.61 0.91 0.00 0.00 58 K 8.82 3.86 0.00 1.73 1.89 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.47 7.81 59 D 8.15 4.60 0.00 2.70 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 60 V 7.37 3.26 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 0.80 0.00 0.00 0.92 0.00 0.00 61 L 8.35 4.53 0.00 1.76 1.64 0.95 0.73 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 62 I 8.09 4.25 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 1.47 0.54 0.91 0.00 0.00 63 K 8.75 3.99 0.00 1.86 1.97 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.45 7.81 64 T 7.87 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 1.21 0.00 0.00 65 A 7.55 4.51 1.26 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 0.00 0.00 0.00 66 P 0.00 4.22 0.00 2.33 2.11 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 67 M 8.87 3.99 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.66 0.00 68 L 7.77 4.70 0.00 1.63 1.56 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.54 4.53 0.00 2.61 2.60 0.00 0.00 7.08 7.56 0.00 0.00 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.