NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2791 8.2993 119.9970 56.0192 34.3526 175.5795 2 K 4.0434 7.8688 118.6418 55.5716 33.0313 171.0582 3 V 4.4002 8.5338 119.2413 60.0734 35.1181 177.5275 4 C 4.4280 8.6627 119.7564 56.5347 39.2116 174.7169 5 A 4.2709 8.1359 133.9192 51.7031 17.2745 178.3432 6 C 4.5092 7.8500 118.4397 56.5607 41.3332 172.8360 7 P 4.5913 0.0000 0.0000 62.4520 31.6032 176.8676 8 K 4.1045 8.5021 119.2953 59.5415 33.0452 177.9748 9 I 3.7092 7.7232 120.6073 60.7981 37.3479 175.5571 10 L 4.2964 8.5218 126.0596 56.2041 40.9758 177.8587 11 K 4.6011 8.8813 122.5853 54.0458 32.5370 174.3331 12 P 5.2744 0.0000 0.0000 61.8711 30.0586 177.6451 13 V 3.9546 7.7677 120.6242 61.7292 32.3104 176.6841 14 C 4.3150 8.6703 120.2646 59.4443 31.9828 174.9945 15 G 4.2231 7.9379 107.5020 45.9901 0.0000 172.0154 16 S 4.5484 8.4584 110.3756 59.6963 64.0091 176.3807 17 D 4.2920 8.1014 117.5959 55.5586 41.2703 175.9814 18 G 4.0650 8.2011 107.1806 46.1396 0.0000 173.3815 19 R 4.6330 7.2889 115.6693 54.2801 34.3734 175.4685 20 T 4.6835 7.9792 117.8417 61.9433 69.9408 173.7594 21 Y 4.7966 8.3127 121.6459 56.0563 42.2515 176.3102 22 A 3.9746 9.1136 123.5316 54.8482 18.5575 178.1003 23 N 5.5256 7.9386 112.3461 49.3339 43.9869 175.8053 24 S 4.1115 8.4809 116.9558 61.7606 63.0028 177.0231 25 C 4.1615 8.1487 121.6312 59.4901 43.5358 175.2187 26 I 3.5970 7.8612 120.5491 64.4852 36.6207 177.9413 27 A 3.5751 7.5050 120.5349 54.9804 18.2723 179.5174 28 R 3.9106 7.5721 117.9723 59.0642 29.9125 177.6871 29 C 4.2283 8.0592 116.9873 59.9597 43.7161 174.9570 30 N 4.3350 8.1121 117.3485 55.7714 38.4743 174.6162 31 G 3.9057 6.5900 108.1345 45.1754 0.0000 173.4382 32 V 4.2865 8.1247 119.5162 60.5834 34.1062 175.1274 33 S 4.5815 8.2985 120.1178 57.3801 63.7881 173.6826 34 I 4.5386 7.5390 118.4810 60.3546 39.1497 176.1786 35 K 4.1945 7.9613 117.5891 57.3964 30.2163 175.5757 36 S 4.7317 7.3783 111.4615 57.9926 62.5229 175.7423 37 E 3.9853 8.5024 120.4153 58.7478 29.1765 178.4639 38 G 3.7349 7.9658 105.6044 46.9951 0.0000 174.0372 39 S 4.4651 8.0141 114.4216 56.7802 63.0530 172.2635 40 C 4.9183 7.9566 119.4861 55.1420 32.6969 173.1885 41 P 4.3082 0.0000 0.0000 64.8357 31.3290 176.4943 42 T 3.8708 7.8235 116.1477 64.4202 68.5855 175.2784 43 G 4.2613 8.0620 116.0094 44.5674 0.0000 172.0781 44 I 3.8226 7.6143 122.2441 61.5619 37.9658 175.3960 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 K 8.30 4.28 0.00 1.88 1.98 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.44 7.81 2 K 7.87 4.04 0.00 1.96 1.86 0.00 1.52 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.48 7.81 3 V 8.53 4.40 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 0.73 0.00 0.00 0.93 0.00 0.00 4 C 8.66 4.43 0.00 2.98 3.11 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 0.00 5 A 8.14 4.27 1.26 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 0.00 0.00 0.00 6 C 7.85 4.51 0.00 2.97 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 7 P 0.00 4.59 0.00 2.18 2.05 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 8 K 8.50 4.10 0.00 1.89 1.98 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.46 7.81 9 I 7.72 3.71 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 1.47 0.81 0.91 0.00 0.00 10 L 8.52 4.30 0.00 1.76 1.70 0.93 0.42 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 11 K 8.88 4.60 0.00 1.78 1.73 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.35 1.50 7.81 12 P 0.00 5.27 0.00 2.19 2.11 0.00 3.38 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 13 V 7.77 3.95 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 1.05 0.00 0.00 1.04 0.00 0.00 14 C 8.67 4.31 0.00 2.98 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 15 G 7.94 4.22 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 0.00 16 S 8.46 4.55 0.00 3.96 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 17 D 8.10 4.29 0.00 2.73 2.79 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 18 G 8.20 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 19 R 7.29 4.63 0.00 1.42 1.31 0.00 3.22 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 20 T 7.98 4.68 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 1.18 0.00 0.00 21 Y 8.31 4.80 0.00 2.86 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.11 3.97 1.32 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 0.00 0.00 0.00 23 N 7.94 5.53 0.00 2.70 2.68 0.00 0.00 7.50 7.55 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 24 S 8.48 4.11 0.00 4.03 4.12 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 25 C 8.15 4.16 0.00 3.00 3.12 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 26 I 7.86 3.60 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.39 0.95 0.00 0.00 27 A 7.51 3.58 0.90 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 28 R 7.57 3.91 0.00 1.81 1.99 0.00 3.29 0.00 0.00 3.15 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 29 C 8.06 4.23 0.00 3.04 3.29 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 30 N 8.11 4.33 0.00 2.88 2.86 0.00 0.00 7.44 8.86 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 31 G 6.59 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.12 4.29 1.73 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 0.87 0.00 0.00 0.87 0.00 0.00 33 S 8.30 4.58 0.00 3.83 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.54 4.54 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 0.93 0.00 0.00 35 K 7.96 4.19 0.00 1.85 1.88 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.40 7.81 36 S 7.38 4.73 0.00 3.66 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.50 3.99 0.00 1.98 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 0.00 2.30 2.31 0.00 38 G 7.97 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 39 S 8.01 4.47 0.00 3.79 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 40 C 7.96 4.92 0.00 3.03 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.31 0.00 2.20 2.21 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 42 T 7.82 3.87 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 43 G 8.06 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 0.00 0.00 0.00 0.00 44 I 7.61 3.82 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 1.27 1.12 0.91 0.00 0.00