NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7555 8.2833 118.1260 52.6003 41.0462 175.8516 2 Q 3.8534 8.1022 118.6930 58.5462 28.6258 177.1185 3 K 3.9811 8.1933 119.3370 59.3460 32.4672 178.7312 4 Q 3.9432 7.8910 119.2491 59.4113 29.1412 178.1533 5 I 3.7193 8.1971 121.0397 64.3779 37.0625 178.3598 6 A 4.1932 8.1334 121.7174 54.8895 18.1017 179.2484 7 N 4.3185 8.2229 115.8676 56.9045 39.1184 177.2104 8 Q 3.9824 8.3765 119.8176 58.8549 28.7753 178.4025 9 F 4.1079 8.6921 122.0389 61.4108 39.4562 176.8138 10 N 4.1906 8.7756 116.3936 56.2847 38.3644 176.8647 11 K 3.7894 8.1978 120.7702 59.9349 32.1529 178.1717 12 A 3.9116 7.8760 120.2604 55.1145 18.3260 179.5749 13 I 3.3949 7.4534 118.3567 64.6407 37.1710 178.6848 14 S 4.6223 7.9129 117.1673 61.2784 62.6612 176.9640 15 Q 4.0246 7.9148 120.1386 58.7991 28.4404 178.6640 16 I 3.7756 8.0108 122.7466 63.8278 37.0734 178.3344 17 Q 3.9649 8.4644 119.3970 59.0986 28.5676 178.7327 18 E 3.9911 8.0756 120.0074 59.0848 29.6763 178.9612 19 S 4.2000 8.0165 114.4487 61.0392 63.1329 176.3969 20 L 4.0536 8.0959 123.0765 57.9531 41.3884 179.4210 21 T 3.8634 7.9081 109.5158 65.1782 68.5079 175.9727 22 T 3.8248 7.9365 118.4354 66.9737 68.5038 175.9418 23 T 3.8669 8.1775 117.3172 67.1472 68.5374 176.4415 24 S 4.1077 8.1733 114.4438 61.6375 62.3978 176.2554 25 T 3.8230 8.3382 118.6381 66.6183 68.1278 176.3750 26 A 3.9997 8.2810 122.8969 55.2462 18.3404 179.6618 27 L 4.0127 8.4977 118.0352 57.6761 41.6242 179.6040 28 G 3.7857 8.3513 106.0277 48.1358 0.0000 175.7613 29 K 3.9907 8.0583 121.3957 58.6722 32.0619 179.3324 30 L 3.9240 8.1719 119.5196 57.9790 41.6047 179.0126 31 Q 3.9240 8.1313 119.3419 59.7552 28.8624 178.9994 32 D 4.3327 8.1141 119.3493 57.2699 40.9055 179.1159 33 V 3.5311 7.7227 118.5316 65.9961 31.5980 177.8970 34 V 3.5827 8.0655 118.4817 66.5513 31.2145 177.7884 35 N 4.3758 8.3589 115.7757 56.0578 38.3486 177.3750 36 Q 3.9724 8.4626 119.9843 59.3181 28.8081 178.9391 37 N 4.3129 8.7485 117.3483 56.0029 38.4662 177.2566 38 A 3.9812 8.1716 122.3306 55.4755 18.5232 179.7214 39 Q 3.9469 8.0663 116.1697 59.0273 28.6758 179.0011 40 A 4.0902 8.1804 123.2667 54.4570 18.4450 179.4384 41 L 3.8869 8.2019 119.1209 58.3493 42.2039 178.9157 42 N 4.3520 8.5708 117.1059 56.6349 38.1362 177.5525 43 T 3.9205 8.4350 111.5129 64.4208 68.7555 176.3890 44 L 3.9237 8.1584 123.6259 58.0544 42.2783 178.8097 45 V 3.5687 7.7645 118.1469 66.0382 31.3758 177.6302 46 K 3.8522 8.0912 119.0323 59.9870 31.7686 178.7325 47 Q 4.0743 7.9147 116.7117 58.5875 28.7520 177.9296 48 L 4.2236 7.9726 118.0655 56.2781 41.8924 178.2418 49 S 4.6487 7.6814 113.8729 58.9916 63.8494 174.1166 50 S 4.1929 8.0359 120.4134 58.4326 62.9869 173.5763 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 N 8.28 4.76 0.00 2.81 2.93 0.00 0.00 7.00 6.85 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 2 Q 8.10 3.85 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 3 K 8.19 3.98 0.00 1.80 1.87 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.50 7.81 4 Q 7.89 3.94 0.00 2.17 2.24 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 2.59 2.53 0.00 5 I 8.20 3.72 2.06 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 0.62 0.92 0.00 0.00 6 A 8.13 4.19 1.39 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 0.00 0.00 7 N 8.22 4.32 0.00 3.07 2.99 0.00 0.00 7.14 7.07 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 8 Q 8.38 3.98 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 9 F 8.69 4.11 0.00 3.13 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.78 4.19 0.00 2.96 2.87 0.00 0.00 6.67 7.27 0.00 0.00 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 K 8.20 3.79 0.00 2.06 1.89 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 12 A 7.88 3.91 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 13 I 7.45 3.39 1.70 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 -0.17 0.77 0.00 0.00 14 S 7.91 4.62 0.00 3.97 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 15 Q 7.91 4.02 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 16 I 8.01 3.78 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.08 0.87 0.00 0.00 17 Q 8.46 3.96 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 18 E 8.08 3.99 0.00 2.02 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 0.00 2.29 2.30 0.00 19 S 8.02 4.20 0.00 4.10 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 20 L 8.10 4.05 0.00 1.89 1.74 0.91 0.45 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 21 T 7.91 3.86 4.23 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 1.20 0.00 0.00 22 T 7.94 3.82 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 1.20 0.00 0.00 23 T 8.18 3.87 4.40 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 1.21 0.00 0.00 24 S 8.17 4.11 0.00 3.89 4.05 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 25 T 8.34 3.82 4.39 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 1.21 0.00 0.00 26 A 8.28 4.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.50 4.01 0.00 1.84 1.73 0.92 0.75 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 28 G 8.35 3.79 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 0.00 0.00 0.00 29 K 8.06 3.99 0.00 1.83 1.87 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.60 7.81 30 L 8.17 3.92 0.00 1.79 1.72 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.13 3.92 0.00 2.25 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 32 D 8.11 4.33 0.00 2.97 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.72 3.53 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 0.84 0.00 0.00 0.93 0.00 0.00 34 V 8.07 3.58 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 0.97 0.00 0.00 0.99 0.00 0.00 35 N 8.36 4.38 0.00 2.87 2.84 0.00 0.00 7.05 7.03 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 36 Q 8.46 3.97 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 37 N 8.75 4.31 0.00 2.67 2.86 0.00 0.00 6.98 7.43 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 38 A 8.17 3.98 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 39 Q 8.07 3.95 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 40 A 8.18 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 3.89 0.00 1.91 1.80 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.57 4.35 0.00 2.92 2.85 0.00 0.00 6.81 6.64 0.00 0.00 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 T 8.44 3.92 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 1.24 0.00 0.00 44 L 8.16 3.92 0.00 1.76 1.88 0.92 0.82 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 45 V 7.76 3.57 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 0.94 0.00 0.00 1.01 0.00 0.00 46 K 8.09 3.85 0.00 2.04 1.90 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.50 7.81 47 Q 7.91 4.07 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 48 L 7.97 4.22 0.00 1.63 1.72 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.68 4.65 0.00 3.91 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 50 S 8.04 4.19 0.00 3.92 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