NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4188 8.3049 120.3504 55.2293 32.3772 174.7258 2 K 4.3108 8.0020 122.1997 55.0904 33.5405 174.3223 3 K 4.6225 9.1399 122.6529 55.0351 36.7365 174.5070 4 E 4.8003 8.6140 125.8208 54.7132 32.2604 174.3319 5 I 4.3416 8.9392 129.4577 59.7470 39.3102 174.7271 6 Q 4.8973 8.7170 129.0517 54.5080 30.3096 174.8321 7 V 4.3394 8.3286 127.1640 61.8440 34.3268 174.7378 8 Q 3.2554 8.5272 127.5217 57.7989 27.1426 174.4627 9 G 4.0639 8.7717 114.2082 46.2672 0.0000 172.5388 10 V 4.1580 7.7565 119.5356 60.2996 33.7663 174.1704 11 R 4.6658 8.2271 126.5434 54.8224 32.1017 174.0268 12 Y 4.6154 9.1874 125.4241 57.1752 39.8247 174.5014 13 Y 4.8610 8.9848 122.3330 56.8552 39.0806 174.9278 14 V 4.3881 9.0055 125.7996 61.1673 33.1727 175.8907 15 E 4.4825 9.8778 127.7576 55.8497 32.0074 175.5581 16 S 4.7608 7.7014 112.0149 55.4296 67.6774 174.2057 17 E 3.8288 8.5657 121.2079 59.5104 29.3712 178.1077 18 D 4.2431 8.0427 118.3978 57.4445 40.8508 178.4630 19 D 4.3057 7.8748 118.8118 57.4114 40.8858 178.7121 20 L 3.8626 7.5889 118.9702 57.7556 41.4943 179.8279 21 V 3.2103 7.4601 118.2279 65.9682 31.5042 178.3522 22 S 4.1212 7.8840 114.7615 61.4016 62.5541 176.8638 23 V 3.1070 7.6969 120.7484 65.6729 31.2512 177.6982 24 A 3.9126 7.7908 120.4834 55.7990 18.2103 179.3106 25 H 4.1362 8.3034 114.4786 58.9939 28.6550 178.0469 26 E 4.0008 8.0149 120.1603 59.4687 29.4145 179.3147 27 L 4.0850 8.1692 119.1679 57.6121 41.6205 179.3695 28 A 4.0807 8.1736 120.7342 55.3448 18.1495 179.8158 29 K 3.9998 7.9112 115.5258 59.7978 32.2148 178.6998 30 M 4.4484 8.0792 116.1174 55.7295 31.9960 177.1412 31 G 3.8944 8.0052 107.8129 45.4713 0.0000 173.5572 32 Y 4.3162 7.8255 117.0585 57.5596 38.5888 176.3736 33 T 4.3568 9.0493 114.6710 60.8971 71.4054 176.1431 34 V 3.5497 8.2606 120.3063 66.1212 31.4047 177.5810 35 Q 3.9401 8.0456 118.6488 59.5597 29.0179 178.3263 36 Q 4.0840 7.9855 118.4046 58.8857 28.6502 178.9987 37 I 3.5729 8.1749 120.9490 64.1695 37.1500 177.9478 38 A 3.9706 8.0424 121.6952 55.5916 17.9511 179.4718 39 N 4.2487 7.9547 112.8909 56.4487 38.6892 177.2620 40 A 4.0767 7.8404 121.1032 54.8402 18.5280 179.0587 41 L 4.2763 8.0820 116.1342 54.7304 42.1303 177.4418 42 G 3.8309 8.3825 106.4143 46.4450 0.0000 173.3614 43 V 4.5513 7.4447 110.5989 58.0289 35.9597 176.2745 44 S 4.3551 8.1801 115.8832 58.2285 65.0127 174.9996 45 E 3.9484 8.6749 122.3974 59.6433 29.2286 180.0290 46 R 3.8466 7.7961 117.6273 59.2052 30.2568 178.9718 47 K 3.5814 7.5586 118.3768 59.1950 31.8724 179.5733 48 V 3.3979 7.3437 117.9468 65.9491 31.0294 178.1505 49 R 3.8762 7.9120 117.7553 59.4200 29.6690 179.2934 50 R 3.9226 7.5025 116.3796 59.3897 30.2313 178.2450 51 Y 4.5619 7.7805 116.5021 61.4350 37.6841 179.0206 52 L 3.9509 7.9968 118.7366 57.2509 41.7017 177.7938 53 E 4.4172 7.6147 114.2116 56.4998 29.6891 176.7592 54 S 4.4187 7.7747 121.5508 59.1625 63.0232 173.9414 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 M 8.30 4.42 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 2 K 8.00 4.31 0.00 1.79 1.77 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.53 7.81 3 K 9.14 4.62 0.00 1.78 1.68 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.37 7.81 4 E 8.61 4.80 0.00 1.70 1.62 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 1.88 1.64 0.00 5 I 8.94 4.34 1.96 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 1.10 0.54 0.98 0.00 0.00 6 Q 8.72 4.90 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 7 V 8.33 4.34 2.22 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 0.82 0.00 0.00 0.87 0.00 0.00 8 Q 8.53 3.26 0.00 2.30 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.30 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 9 G 8.77 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.76 4.16 1.89 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 0.15 0.00 0.00 0.89 0.00 0.00 11 R 8.23 4.67 0.00 1.75 1.77 0.00 3.16 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.49 0.00 12 Y 9.19 4.62 0.00 2.93 2.86 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 13 Y 8.98 4.86 0.00 2.78 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 14 V 9.01 4.39 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 0.92 0.00 0.00 0.94 0.00 0.00 15 E 9.88 4.48 0.00 1.95 1.94 0.00 0.00 0.00 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 2.22 0.00 16 S 7.70 4.76 0.00 4.00 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 17 E 8.57 3.83 0.00 2.05 1.95 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 2.21 2.30 0.00 18 D 8.04 4.24 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.87 4.31 0.00 2.83 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 20 L 7.59 3.86 0.00 1.59 1.43 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.46 3.21 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 1.07 0.00 0.00 0.46 0.00 0.00 22 S 7.88 4.12 0.00 4.04 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 23 V 7.70 3.11 1.96 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 0.39 0.00 0.00 0.74 0.00 0.00 24 A 7.79 3.91 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.30 4.14 0.00 3.39 3.36 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.01 4.00 0.00 2.11 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 2.40 2.40 0.00 27 L 8.17 4.08 0.00 1.57 1.55 0.59 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.17 4.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.00 0.00 1.98 1.94 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.63 7.81 30 M 8.08 4.45 0.00 2.19 2.57 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.68 0.00 31 G 8.01 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 0.00 0.00 0.00 32 Y 7.83 4.32 0.00 3.10 2.89 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 33 T 9.05 4.36 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 34 V 8.26 3.55 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 1.00 0.00 0.00 0.93 0.00 0.00 35 Q 8.05 3.94 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 36 Q 7.99 4.08 0.00 2.45 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 37 I 8.17 3.57 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.86 0.87 0.00 0.00 38 A 8.04 3.97 1.43 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 0.00 0.00 39 N 7.95 4.25 0.00 2.72 2.89 0.00 0.00 7.10 7.24 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 40 A 7.84 4.08 1.24 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 0.00 0.00 0.00 41 L 8.08 4.28 0.00 1.62 1.75 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.38 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.44 4.55 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 0.86 0.00 0.00 0.97 0.00 0.00 44 S 8.18 4.36 0.00 4.00 3.95 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 45 E 8.67 3.95 0.00 1.99 2.02 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 2.38 2.39 0.00 46 R 7.80 3.85 0.00 1.77 1.90 0.00 3.10 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 47 K 7.56 3.58 0.00 1.63 1.22 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.27 7.81 48 V 7.34 3.40 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 1.09 0.00 0.00 0.94 0.00 0.00 49 R 7.91 3.88 0.00 2.01 1.93 0.00 3.15 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 50 R 7.50 3.92 0.00 1.80 1.99 0.00 3.16 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 1.62 1.76 0.00 51 Y 7.78 4.56 0.00 3.07 2.82 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 0.00 0.00 0.00 0.00 52 L 8.00 3.95 0.00 1.61 1.72 0.92 0.79 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 53 E 7.61 4.42 0.00 2.11 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 2.56 2.30 0.00 54 S 7.77 4.42 0.00 4.03 3.85 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 0.00 0.00 0.00