NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1942 8.2431 120.8687 57.4451 31.4492 176.0379 2 G 3.6851 8.8716 111.2379 42.7471 0.0000 169.3411 3 E 4.7029 8.2564 112.5831 54.4336 29.8247 172.0065 4 C 4.7408 7.5321 116.1081 57.2744 33.5563 173.6060 5 K 4.4338 8.4022 121.2431 54.8977 32.9928 174.9400 6 F 4.5642 8.7640 129.8249 56.5357 42.3029 174.0940 7 T 4.5926 8.3587 121.2960 61.6115 71.2776 173.5339 8 V 4.3012 8.0163 125.2641 62.8470 30.8266 176.4409 *10 G 4.0696 8.0559 103.4646 44.9395 0.0000 172.5930 11 R 4.9607 7.6611 117.3474 53.4619 31.3568 174.8839 12 T 4.2931 8.1358 121.3070 62.5174 70.3471 173.9057 13 A 4.8268 8.2435 127.3969 49.9404 22.4222 174.8306 14 L 4.8840 8.5678 121.3692 53.8595 44.8086 174.4547 15 N 5.1702 8.6676 117.3226 52.3965 40.1465 174.2408 16 T 4.2926 8.6910 121.7819 63.9739 69.2792 175.5126 *18 A 4.1527 7.8193 123.1595 51.4849 20.2454 176.8256 19 V 4.5803 7.6701 110.9871 60.5818 35.0535 174.7430 20 Q 4.8444 8.3194 120.8811 54.9368 30.9679 174.7468 21 K 4.7886 9.0526 124.0389 54.6702 35.2424 174.5419 22 W 5.0164 8.8504 126.9418 55.0576 32.2415 174.4355 23 H 5.3361 9.0016 124.1982 54.5129 32.4173 172.0008 24 F 4.9782 9.1535 125.0945 55.7928 41.1492 174.9570 25 V 4.7275 8.0217 123.1676 61.3218 33.4682 175.1860 26 L 4.6355 9.2215 125.5520 54.7113 44.4801 178.1981 *28 G 3.9784 7.9944 106.5260 44.9375 0.0000 172.2085 29 Y 4.4846 8.1152 118.9825 56.3008 38.1765 174.6304 30 K 5.0925 8.6199 124.8080 55.4995 34.7455 175.9018 31 C 4.7950 9.2032 124.5452 57.7295 29.1535 171.7889 32 E 4.8918 8.6134 121.4457 54.8466 30.5806 175.7108 33 I 4.5869 8.7191 116.5278 59.0404 41.0689 174.2230 34 L 4.9602 8.6798 126.6015 52.6988 41.5916 175.7655 35 A 4.4482 8.5562 124.1404 51.4158 18.8099 175.9647 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 R 8.24 4.19 0.00 1.80 1.92 0.00 3.39 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 2 G 8.87 3.69 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 0.00 0.00 0.00 3 E 8.26 4.70 0.00 2.06 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 2.18 2.26 0.00 4 C 7.53 4.74 0.00 3.04 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 5 K 8.40 4.43 0.00 1.73 1.68 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.63 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.32 7.81 6 F 8.76 4.56 0.00 2.99 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 7 T 8.36 4.59 4.14 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 1.13 0.00 0.00 8 V 8.02 4.30 2.30 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 1.08 0.00 0.00 1.24 0.00 0.00 *10 G 8.06 4.07 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 0.00 0.00 0.00 11 R 7.66 4.96 0.00 0.68 1.11 0.00 3.20 0.00 0.00 3.34 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.19 0.00 12 T 8.14 4.29 4.11 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 1.08 0.00 0.00 13 A 8.24 4.83 -0.62 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 0.00 0.00 14 L 8.57 4.88 0.00 1.65 1.69 0.90 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.67 5.17 0.00 2.83 2.77 0.00 0.00 6.81 7.73 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 16 T 8.69 4.29 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 *18 A 7.82 4.15 1.30 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 0.00 0.00 19 V 7.67 4.58 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 1.00 0.00 0.00 20 Q 8.32 4.84 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 21 K 9.05 4.79 0.00 1.81 1.65 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.55 7.81 22 W 8.85 5.02 0.00 3.47 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.00 5.34 0.00 3.21 3.17 0.00 5.56 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 9.15 4.98 0.00 3.20 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 25 V 8.02 4.73 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 0.74 0.00 0.00 0.75 0.00 0.00 26 L 9.22 4.64 0.00 1.81 1.63 1.06 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 *28 G 7.99 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 29 Y 8.12 4.48 0.00 3.26 2.96 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 30 K 8.62 5.09 0.00 1.81 1.86 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.49 7.81 31 C 9.20 4.80 0.00 2.81 2.78 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 0.00 0.00 0.00 0.00 32 E 8.61 4.89 0.00 1.98 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 0.00 2.26 2.32 0.00 33 I 8.72 4.59 1.91 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 1.48 1.14 0.90 0.00 0.00 34 L 8.68 4.96 0.00 1.66 1.61 0.93 0.98 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 35 A 8.56 4.45 1.20 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.