NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.3524 8.0433 120.6289 54.6906 42.9452 180.9527 1 C 4.3817 7.4084 132.4080 59.8922 40.3426 173.9852 2 S 3.9287 8.2178 114.7327 60.0325 63.8290 173.5161 3 L 4.2692 7.8028 123.1387 53.7908 41.3602 175.5042 4 D 4.5147 9.2329 129.5158 55.4193 39.8017 173.2112 5 N 4.1369 8.2227 109.3478 53.4945 37.6887 174.3928 6 G 3.6304 8.7544 101.3134 45.5704 0.0000 174.6437 7 D 4.5232 8.2376 116.0374 54.4523 40.3853 173.4730 8 C 4.7239 7.8316 114.4836 56.7503 40.9619 173.7354 9 D 4.4956 8.6042 122.7915 57.0365 41.9768 177.2952 10 Q 4.4822 7.2844 112.7734 55.6542 30.6685 179.5116 11 F 4.7356 7.1794 127.3602 58.6437 40.1388 172.3732 12 C 5.5049 8.8953 121.6500 55.2955 44.6205 172.6646 13 H 5.0804 9.5421 122.5361 54.0614 32.8678 172.5622 14 E 4.9294 8.8410 120.8910 55.1226 30.7335 175.2460 15 E 4.5492 9.1305 125.7502 55.4104 31.4851 176.8030 16 Q 3.2931 9.2899 123.3288 57.2731 26.2292 172.8188 17 N 4.2167 8.4784 110.4576 54.5101 37.7551 173.0995 18 S 4.6906 7.7054 108.3721 55.6167 65.8578 172.6613 19 V 4.4073 8.2953 125.6016 62.7269 32.3145 175.4726 20 V 4.4607 9.2839 127.2717 60.2274 33.7711 174.0362 21 C 5.4125 8.9103 123.0935 56.0303 36.3509 172.7741 22 S 4.7364 8.8900 115.4949 57.6222 66.7896 171.6360 23 C 4.9420 8.5501 115.2142 54.7315 38.5936 174.2635 24 A 4.4957 8.8817 124.5118 51.4614 18.8134 177.2240 25 R 4.0731 8.4167 119.9301 58.2007 30.5226 176.8617 26 G 3.9290 9.2876 112.4489 45.2482 0.0000 171.8724 27 Y 5.2713 7.6067 116.0263 56.1231 41.2664 175.1730 28 T 4.7575 8.9910 111.8589 59.5741 72.2093 172.8967 29 L 4.5451 8.5310 125.9373 54.8227 43.0211 176.4130 30 A 4.2686 9.1864 128.6567 51.7133 19.4529 178.0428 31 D 4.3267 8.7399 118.7088 57.6136 40.8589 177.9846 32 N 4.4319 8.1497 113.5764 53.1008 37.4916 175.3941 33 G 3.9849 8.1387 106.8572 46.4666 0.0000 174.0219 34 K 4.4908 8.6110 117.7955 57.6445 35.4503 176.8493 35 A 4.5804 8.2749 121.1361 52.0508 19.9105 176.6003 36 C 5.2540 8.9814 118.2640 55.3663 38.9346 173.5103 37 I 4.5625 9.0494 125.7731 58.8410 38.7252 173.7007 38 P 4.1648 0.0000 0.0000 63.1023 31.5491 176.1536 39 T 4.2252 8.3928 118.4709 62.0788 67.8281 172.0629 *41 P 3.8672 0.0000 0.0000 63.6577 32.8036 175.1493 42 Y 3.5804 7.5981 112.5117 58.5598 35.1135 169.0800 43 P 4.3135 0.0000 0.0000 62.0874 32.7284 176.3167 44 C 4.3077 8.3783 114.9847 59.8077 29.9415 174.2219 45 G 3.9760 8.9526 109.2807 45.6636 0.0000 173.0591 46 K 4.6263 7.3536 117.9175 54.0661 34.0130 176.4715 47 Q 4.1830 8.6194 122.8716 56.1094 29.3559 175.6995 48 T 4.5180 8.3269 111.6240 60.6922 70.3298 174.4982 49 L 4.3967 8.5976 125.1236 55.8746 42.8756 176.4119 50 E 4.3228 7.9654 121.1033 56.4551 30.1823 175.5176 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 0 L 8.04 4.35 0.00 1.90 1.03 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 1 C 7.41 4.38 0.00 3.15 3.14 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 0.00 0.00 0.00 0.00 2 S 8.22 3.93 0.00 3.86 3.92 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 3 L 7.80 4.27 0.00 1.69 1.69 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.23 4.51 0.00 2.90 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.22 4.14 0.00 2.99 2.80 0.00 0.00 7.57 7.92 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 6 G 8.75 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.24 4.52 0.00 2.83 2.80 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 8 C 7.83 4.72 0.00 3.07 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 9 D 8.60 4.50 0.00 2.64 2.55 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 0.00 0.00 0.00 0.00 10 Q 7.28 4.48 0.00 1.46 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.96 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 11 F 7.18 4.74 0.00 3.03 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.90 5.50 0.00 3.05 2.95 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 0.00 0.00 0.00 13 H 9.54 5.08 0.00 3.11 3.16 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.84 4.93 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 15 E 9.13 4.55 0.00 1.98 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 16 Q 9.29 3.29 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 17 N 8.48 4.22 0.00 2.83 2.86 0.00 0.00 6.91 7.63 0.00 0.00 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 S 7.71 4.69 0.00 3.86 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 19 V 8.30 4.41 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 0.87 0.00 0.00 0.94 0.00 0.00 20 V 9.28 4.46 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 1.00 0.00 0.00 0.94 0.00 0.00 21 C 8.91 5.41 0.00 3.01 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 22 S 8.89 4.74 0.00 3.96 3.99 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 0.00 0.00 0.00 23 C 8.55 4.94 0.00 2.81 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 24 A 8.88 4.50 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 25 R 8.42 4.07 0.00 1.87 1.94 0.00 3.27 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 26 G 9.29 3.93 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 0.00 0.00 0.00 27 Y 7.61 5.27 0.00 2.90 2.80 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 28 T 8.99 4.76 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 1.23 0.00 0.00 29 L 8.53 4.55 0.00 1.67 1.63 0.99 1.08 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 30 A 9.19 4.27 1.36 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 0.00 0.00 31 D 8.74 4.33 0.00 2.66 2.75 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 32 N 8.15 4.43 0.00 2.81 2.93 0.00 0.00 6.01 7.00 0.00 0.00 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 G 8.14 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 0.00 0.00 0.00 34 K 8.61 4.49 0.00 1.79 1.92 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.52 7.81 35 A 8.27 4.58 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 36 C 8.98 5.25 0.00 2.60 2.80 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 37 I 9.05 4.56 1.90 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 1.25 0.88 0.91 0.00 0.00 38 P 0.00 4.16 0.00 1.78 1.67 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 39 T 8.39 4.23 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 1.17 0.00 0.00 *41 P 0.00 3.87 0.00 1.59 1.88 0.00 3.99 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 42 Y 7.60 3.58 0.00 3.17 3.02 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 0.00 0.00 0.00 0.00 43 P 0.00 4.31 0.00 1.76 1.65 0.00 3.59 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.78 0.00 44 C 8.38 4.31 0.00 3.19 3.07 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 0.00 0.00 0.00 45 G 8.95 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 0.00 0.00 0.00 46 K 7.35 4.63 0.00 1.87 1.76 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.60 7.81 47 Q 8.62 4.18 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 48 T 8.33 4.52 4.46 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 0.00 0.00 0.00 1.39 0.00 0.00 49 L 8.60 4.40 0.00 1.64 1.76 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.97 4.32 0.00 1.88 1.83 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 2.20 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.