NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3442 8.1744 110.9443 61.3286 70.8291 173.4899 6 N 4.7158 7.9469 120.2024 53.2435 39.3623 173.2820 7 S 4.6091 8.7724 112.9909 57.5640 65.4165 173.5979 8 D 4.7299 8.7636 121.6926 55.2128 42.0187 175.1231 9 F 5.3685 7.5804 113.7426 56.0738 41.5037 173.6322 10 V 4.5115 9.0513 111.6714 59.4845 35.9527 174.9966 11 V 4.9044 8.6589 123.1049 61.2811 33.9373 174.3404 12 I 4.9566 8.7423 128.4902 59.3461 40.3617 174.2235 13 K 5.0023 9.2464 128.9214 54.2188 34.5827 175.0101 14 A 4.3929 8.8154 130.5724 52.1548 19.2040 177.3314 15 L 4.7096 8.5725 121.9842 54.2196 42.4983 175.9001 16 E 4.6616 7.5950 115.4058 55.4921 31.8280 174.6407 17 D 4.5110 8.5150 119.4735 55.1421 41.5325 176.3105 18 G 3.8579 7.9110 105.2765 46.6157 0.0000 174.3653 19 V 3.9502 7.8424 119.3599 62.5933 33.1396 174.3256 20 N 5.3783 8.9134 123.7644 51.4629 41.5233 173.4935 21 V 4.3857 8.6971 124.5435 61.2570 33.7018 174.2078 22 I 4.5601 8.5412 129.6369 59.3540 39.6828 174.9557 23 G 4.0389 8.6916 115.4070 45.0627 0.0000 172.6413 24 L 5.1978 9.1522 127.3849 53.6232 43.5425 176.6492 25 T 4.5648 8.8525 114.6685 61.6731 69.4011 174.3287 26 R 4.2270 7.9951 126.3490 56.4022 30.7282 175.8610 27 G 3.7863 8.7228 110.2817 43.9318 0.0000 173.7050 28 A 3.8215 8.4725 121.9035 53.7311 18.6538 177.2307 29 D 4.9907 7.3864 114.8290 52.6402 43.3270 176.1934 30 T 4.4988 8.3395 122.4065 61.2863 68.8133 172.8036 31 R 4.8247 8.7885 123.1587 53.7382 33.4823 174.7009 32 F 5.3342 8.7602 117.6503 57.7431 39.3025 175.7324 33 H 5.0742 8.9204 116.1161 55.5448 30.1574 172.8144 34 H 4.7611 7.5618 117.1946 55.2532 33.3132 172.2623 35 S 4.6333 7.9615 118.0361 56.5304 64.8579 172.3951 36 E 4.4414 9.1560 130.0000 54.8697 31.0118 174.6938 37 K 4.9043 8.6115 126.7066 55.2003 33.6537 175.7850 38 L 4.9193 8.9398 125.5666 53.1542 44.4603 176.0213 39 D 5.0490 9.0723 123.0995 52.3163 43.4867 175.9806 40 K 4.1423 9.1331 122.2270 58.5135 32.3125 176.4879 41 G 4.0855 9.1829 115.4428 45.3255 0.0000 173.6909 42 E 4.2035 8.1158 119.5281 56.3020 30.7760 176.2562 43 V 4.9012 8.3061 122.6046 61.0721 34.1270 174.0835 44 L 4.7155 8.9593 130.3268 53.3439 44.4875 174.8141 45 I 4.9536 8.3638 126.2504 59.5935 39.1388 174.7943 46 A 4.7127 8.8800 128.5328 50.2358 22.3411 175.0185 47 Q 5.3156 8.4552 119.8309 53.6813 30.9713 175.6687 48 F 4.6489 8.4394 119.9951 58.1456 40.0395 175.0578 49 T 4.6865 9.0212 111.2795 60.3505 71.7766 173.8879 50 E 3.9156 8.9096 120.9365 59.4401 29.7928 177.5760 51 H 4.5719 7.7861 112.2561 56.5612 29.7175 174.4519 52 T 5.3184 8.0818 116.1883 61.9037 71.0104 174.5429 53 S 4.9479 9.0587 119.8042 57.9632 65.1057 173.4617 54 A 5.1351 7.9496 121.5946 51.0035 22.6050 175.0914 55 I 5.0516 8.5124 120.4039 59.3474 41.0629 174.7971 56 K 4.5678 9.0317 127.1893 54.5254 35.2825 174.6215 57 V 4.7242 8.4835 126.8914 61.3010 33.4058 174.6006 58 R 4.5328 8.8383 127.1395 55.7832 32.6350 176.8444 59 G 3.9027 8.9892 108.5879 44.3930 0.0000 172.2159 60 K 5.0236 9.0076 119.6812 54.9459 32.8973 175.4352 61 A 5.1001 8.6045 128.5735 50.8683 23.5492 173.6278 62 Y 4.9493 9.1074 121.3987 56.3164 40.8922 174.5199 63 I 4.9450 8.2651 127.1373 59.5031 40.7082 174.4915 64 Q 4.8105 9.1763 125.0153 54.3695 32.4524 174.6688 65 T 4.7722 8.4742 111.9021 59.9668 72.4203 174.4498 66 R 3.7105 8.5360 121.6589 59.7135 29.7957 176.4405 67 H 4.6883 8.6432 112.6502 55.2040 29.2389 173.8874 68 G 3.7557 7.1264 106.5333 44.0034 0.0000 173.1763 69 V 4.7312 7.9151 111.9032 59.9360 34.4622 175.0298 70 I 4.5334 7.8485 121.3747 60.2557 42.1250 172.8595 71 E 5.2615 8.5345 124.1253 54.3928 32.7261 176.0130 72 S 4.5398 8.9584 119.1060 58.0312 64.9414 172.7838 73 E 4.9324 8.7590 121.2689 54.5302 32.0894 176.3312 74 G 3.7326 8.6656 111.7223 45.7341 0.0000 173.4032 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 5 T 8.17 4.34 4.25 0.00 0.00 0.00 0.00 0.00 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 6 N 7.95 4.72 0.00 2.81 2.86 0.00 0.00 7.03 6.75 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 7 S 8.77 4.61 0.00 4.00 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 8 D 8.76 4.73 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.58 5.37 0.00 2.94 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 10 V 9.05 4.51 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 0.63 0.00 0.00 0.87 0.00 0.00 11 V 8.66 4.90 2.20 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 1.07 0.00 0.00 1.13 0.00 0.00 12 I 8.74 4.96 1.86 0.00 0.00 0.81 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 0.66 0.91 0.00 0.00 13 K 9.25 5.00 0.00 1.87 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.39 7.81 14 A 8.82 4.39 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 15 L 8.57 4.71 0.00 1.66 1.70 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.60 4.66 0.00 2.02 1.88 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 2.15 2.29 0.00 17 D 8.52 4.51 0.00 2.69 2.63 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 18 G 7.91 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 19 V 7.84 3.95 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 0.90 0.00 0.00 1.04 0.00 0.00 20 N 8.91 5.38 0.00 2.63 2.59 0.00 0.00 6.51 6.98 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 21 V 8.70 4.39 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 0.88 0.00 0.00 0.89 0.00 0.00 22 I 8.54 4.56 1.40 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.40 -0.44 0.00 0.00 23 G 8.69 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 0.00 0.00 0.00 24 L 9.15 5.20 0.00 1.80 1.68 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.85 4.56 4.32 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 1.39 0.00 0.00 26 R 8.00 4.23 0.00 1.89 2.00 0.00 3.21 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.72 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 28 A 8.47 3.82 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 29 D 7.39 4.99 0.00 2.43 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 30 T 8.34 4.50 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 1.28 0.00 0.00 31 R 8.79 4.82 0.00 1.85 2.05 0.00 2.79 0.00 0.00 3.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 32 F 8.76 5.33 0.00 2.83 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 33 H 8.92 5.07 0.00 3.12 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.56 4.76 0.00 3.31 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.96 4.63 0.00 3.73 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 36 E 9.16 4.44 0.00 2.14 1.78 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 2.25 2.32 0.00 37 K 8.61 4.90 0.00 1.64 1.72 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.49 7.81 38 L 8.94 4.92 0.00 1.52 1.54 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.07 5.05 0.00 2.59 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 40 K 9.13 4.14 0.00 1.71 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 41 G 9.18 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.12 4.20 0.00 2.16 1.88 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 2.33 2.26 0.00 43 V 8.31 4.90 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 8.96 4.72 0.00 1.76 1.47 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.36 4.95 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.62 0.00 0.00 46 A 8.88 4.71 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.46 5.32 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.24 0.00 48 F 8.44 4.65 0.00 3.08 3.01 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 0.00 0.00 0.00 49 T 9.02 4.69 4.30 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 1.28 0.00 0.00 50 E 8.91 3.92 0.00 1.93 1.98 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 2.11 2.28 0.00 51 H 7.79 4.57 0.00 3.32 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.08 5.32 4.37 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 1.32 0.00 0.00 53 S 9.06 4.95 0.00 3.77 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 54 A 7.95 5.14 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 55 I 8.51 5.05 1.83 0.00 0.00 0.41 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 0.68 0.83 0.00 0.00 56 K 9.03 4.57 0.00 1.77 1.50 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.36 7.81 57 V 8.48 4.72 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.89 0.00 0.00 58 R 8.84 4.53 0.00 1.79 1.80 0.00 3.18 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 59 G 8.99 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 0.00 0.00 0.00 60 K 9.01 5.02 0.00 1.99 1.73 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.25 7.81 61 A 8.60 5.10 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 62 Y 9.11 4.95 0.00 3.00 2.84 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 0.00 0.00 0.00 63 I 8.27 4.95 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.84 0.82 0.00 0.00 64 Q 9.18 4.81 0.00 1.85 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.12 1.95 0.00 65 T 8.47 4.77 4.13 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 0.00 0.00 1.14 0.00 0.00 66 R 8.54 3.71 0.00 1.59 1.79 0.00 3.16 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 67 H 8.64 4.69 0.00 3.13 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.13 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.92 4.73 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.99 0.00 0.00 70 I 7.85 4.53 1.83 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 1.22 1.43 0.86 0.00 0.00 71 E 8.53 5.26 0.00 1.90 1.85 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 2.54 2.49 0.00 72 S 8.96 4.54 0.00 3.97 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 73 E 8.76 4.93 0.00 1.84 1.88 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 2.21 2.29 0.00 74 G 8.67 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00