NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6371 8.3049 118.3342 54.9822 32.9283 174.8734 2 K 4.1116 8.3940 120.1009 55.9659 33.1259 172.8705 3 V 3.6865 8.1463 116.4512 63.9612 33.5028 178.1211 4 R 3.1798 7.7168 109.6419 56.7091 29.9876 175.8770 5 A 4.0858 8.5686 126.3259 55.1380 18.6741 178.3126 6 S 4.4762 7.8613 109.4069 57.7157 63.5442 172.7966 7 V 4.1763 7.5615 115.7147 57.9077 33.9521 172.9040 8 K 4.1041 7.8411 126.3303 55.9563 32.1748 176.5964 9 K 4.3717 8.3138 121.4366 56.3649 32.9852 176.6887 10 L 4.5057 8.1457 116.7136 55.4990 45.1480 175.8104 11 C 4.7833 7.6236 112.1410 53.3614 43.8618 173.9663 12 R 4.1129 8.3553 114.3244 57.2106 29.1123 176.4273 13 N 4.8540 7.7857 115.5066 53.5813 40.0442 174.6833 14 C 5.3224 7.6484 115.8299 59.6770 28.4568 173.5215 15 K 4.3054 8.4305 118.9374 55.8628 34.8610 173.4503 16 I 3.3756 8.1205 126.3687 60.8623 35.5919 173.0328 17 V 4.3690 8.4714 124.6184 60.7833 34.5662 173.8616 18 K 4.8003 8.6152 127.7498 55.1254 33.0651 175.7324 19 R 4.7513 8.4906 124.9656 55.5521 34.5020 176.4350 20 D 4.2087 8.3669 121.1321 55.9011 40.4340 174.9521 21 G 4.0007 8.9830 115.4603 45.9930 0.0000 172.2693 22 V 4.3566 8.1218 121.2371 60.9582 33.8973 174.9421 23 I 4.4786 8.2633 128.4243 61.3665 38.4112 175.1619 24 R 5.1729 9.4134 125.0599 54.3506 35.2368 174.2544 25 V 4.6295 8.4289 118.5493 61.4072 34.8695 173.9403 26 I 4.7422 8.4561 128.1345 59.6291 39.7887 174.7085 27 C 5.4610 8.8053 127.2985 54.8908 44.9603 173.8526 28 S 4.0358 8.3956 120.0015 59.8647 62.9869 174.9095 29 A 4.1565 7.5573 123.9645 52.8165 19.4103 176.1003 30 E 4.5762 7.7138 115.3018 53.4510 31.0547 175.5137 31 P 4.3881 0.0000 0.0000 65.1234 31.6810 178.5166 32 K 4.1105 7.6125 115.3138 58.5931 31.9646 177.5343 33 H 4.5793 7.9313 115.2644 56.7275 29.4684 175.6046 34 K 4.1578 7.6600 121.6996 57.5314 32.6325 175.6337 35 Q 5.1427 8.9864 124.7050 54.5952 33.6596 174.2067 36 R 4.5211 8.3609 119.7690 55.6600 33.5272 173.6407 37 Q 3.1759 8.6283 115.9052 57.1588 27.3570 174.4306 38 G 3.7543 7.9782 110.8346 46.0114 0.0000 172.8943 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 4.64 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 2 K 8.39 4.11 0.00 1.85 1.76 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 V 8.15 3.69 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 0.74 0.00 0.00 0.93 0.00 0.00 4 R 7.72 3.18 0.00 1.99 2.18 0.00 3.04 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.86 0.00 5 A 8.57 4.09 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 6 S 7.86 4.48 0.00 3.99 3.88 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 0.00 0.00 0.00 7 V 7.56 4.18 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 0.92 0.00 0.00 0.93 0.00 0.00 8 K 7.84 4.10 0.00 1.92 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.44 7.81 9 K 8.31 4.37 0.00 1.70 1.72 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.51 7.81 10 L 8.15 4.51 0.00 1.18 1.53 1.02 0.86 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 11 C 7.62 4.78 0.00 3.07 3.16 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 0.00 0.00 0.00 0.00 12 R 8.36 4.11 0.00 1.93 2.07 0.00 3.00 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 13 N 7.79 4.85 0.00 2.66 2.86 0.00 0.00 7.11 7.66 0.00 0.00 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 C 7.65 5.32 0.00 2.86 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 15 K 8.43 4.31 0.00 1.71 1.80 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.42 7.81 16 I 8.12 3.38 1.87 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 1.29 0.34 0.91 0.00 0.00 17 V 8.47 4.37 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 0.96 0.00 0.00 0.93 0.00 0.00 18 K 8.62 4.80 0.00 1.75 1.70 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.44 7.81 19 R 8.49 4.75 0.00 1.87 1.75 0.00 3.32 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 20 D 8.37 4.21 0.00 2.76 1.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.12 4.36 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 0.95 0.00 0.00 0.93 0.00 0.00 23 I 8.26 4.48 1.87 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 1.34 0.70 0.91 0.00 0.00 24 R 9.41 5.17 0.00 1.78 1.79 0.00 3.06 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 25 V 8.43 4.63 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 1.04 0.00 0.00 0.97 0.00 0.00 26 I 8.46 4.74 1.87 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 1.23 0.88 0.91 0.00 0.00 27 C 8.81 5.46 0.00 2.99 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 28 S 8.40 4.04 0.00 4.02 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 29 A 7.56 4.16 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 30 E 7.71 4.58 0.00 2.05 1.93 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 2.04 2.28 0.00 31 P 0.00 4.39 0.00 2.21 2.08 0.00 3.63 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 32 K 7.61 4.11 0.00 1.70 1.81 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.64 7.81 33 H 7.93 4.58 0.00 3.39 3.33 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.66 4.16 0.00 1.83 1.72 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.60 7.81 35 Q 8.99 5.14 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.27 0.00 0.00 0.00 0.00 0.00 2.27 2.55 0.00 36 R 8.36 4.52 0.00 1.77 1.78 0.00 3.40 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 37 Q 8.63 3.18 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 38 G 7.98 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 0.00 0.00 0.00