NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 I 4.0632 8.0249 121.4448 60.0513 38.4182 175.4867 13 P 4.1467 0.0000 0.0000 62.4326 32.5744 174.7777 14 E 3.9675 8.9521 122.9447 59.3538 30.4446 179.3457 15 W 4.3913 8.3309 116.1467 59.5234 28.0628 178.4473 16 K 3.1536 6.7226 118.8990 58.9535 31.3487 179.3712 17 Q 3.9052 7.5746 117.8595 59.0043 28.7297 178.4689 18 E 4.0278 8.5981 120.0437 59.0802 29.3367 179.1473 19 E 3.9257 8.1041 119.4123 59.3201 29.8240 178.8397 20 V 3.5342 7.7856 118.2311 66.0911 31.3968 177.8611 21 D 4.2906 7.9965 117.9745 57.3332 40.6573 178.5785 22 A 4.0702 7.9829 121.1349 54.9684 18.0399 179.8879 23 I 3.7144 7.7779 118.0994 64.5899 37.1205 178.5232 24 V 3.7062 7.8381 118.8967 65.5761 30.6939 177.8062 25 E 3.9884 8.2087 119.4665 59.3436 29.2777 177.7664 26 M 4.5353 7.4506 115.9944 55.6131 32.2009 176.7964 27 I 4.3302 7.1384 121.0910 62.6296 39.2900 177.2371 28 E 4.1430 7.9646 118.7296 58.6234 29.5660 177.8885 29 S 4.3785 7.9499 111.4294 59.7600 64.7659 175.2114 *63 R 4.1670 7.5272 118.4361 55.5607 32.2771 176.2873 64 N 4.4345 8.6359 119.3246 56.4661 38.5939 177.9460 65 T 3.9006 7.8179 111.1279 64.7438 68.9931 176.4946 66 L 4.0958 7.7533 120.7117 56.4504 41.8521 179.2223 67 L 4.0400 7.6256 119.1469 57.7438 41.8481 178.8908 68 E 3.9820 8.2844 118.5769 59.2856 29.1056 179.4852 69 R 3.8214 7.8440 117.5871 59.5124 30.3515 178.4068 70 A 4.2351 7.5202 118.6458 54.4697 18.3366 179.4246 71 L 4.0821 7.7381 117.7089 58.1609 41.7521 178.9523 72 D 4.4085 7.7098 117.6879 56.6366 40.8235 176.9336 73 D 4.5488 7.6643 122.4374 53.2675 39.5210 175.7773 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 12 I 8.02 4.06 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.04 0.85 0.00 0.00 13 P 0.00 4.15 0.00 1.85 2.19 0.00 3.44 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 14 E 8.95 3.97 0.00 2.08 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 2.41 2.40 0.00 15 W 8.33 4.39 0.00 3.64 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.72 3.15 0.00 1.41 1.38 0.00 1.29 0.00 0.00 1.27 0.00 0.00 2.75 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.30 0.21 7.81 17 Q 7.57 3.91 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 18 E 8.60 4.03 0.00 2.04 2.04 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 2.35 2.51 0.00 19 E 8.10 3.93 0.00 2.32 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 2.37 2.38 0.00 20 V 7.79 3.53 2.16 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 0.94 0.00 0.00 0.87 0.00 0.00 21 D 8.00 4.29 0.00 2.90 2.69 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 22 A 7.98 4.07 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 23 I 7.78 3.71 2.00 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 0.85 0.91 0.00 0.00 24 V 7.84 3.71 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 0.99 0.00 0.00 1.00 0.00 0.00 25 E 8.21 3.99 0.00 2.22 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 0.00 2.31 2.35 0.00 26 M 7.45 4.54 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 27 I 7.14 4.33 2.03 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 1.30 0.83 0.91 0.00 0.00 28 E 7.96 4.14 0.00 1.98 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 2.34 2.48 0.00 29 S 7.95 4.38 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 *63 R 7.53 4.17 0.00 1.95 1.97 0.00 3.25 0.00 0.00 3.42 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 64 N 8.64 4.43 0.00 2.77 2.88 0.00 0.00 6.82 7.05 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 65 T 7.82 3.90 4.22 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 1.21 0.00 0.00 66 L 7.75 4.10 0.00 1.85 1.72 0.82 0.52 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 67 L 7.63 4.04 0.00 1.89 1.70 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.28 3.98 0.00 2.14 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 2.33 2.53 0.00 69 R 7.84 3.82 0.00 1.99 2.07 0.00 3.28 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 70 A 7.52 4.24 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 71 L 7.74 4.08 0.00 1.93 1.71 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.71 4.41 0.00 2.80 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 73 D 7.66 4.55 0.00 2.72 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 * Residues marked with a * may have inaccurate shift predictions.