NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1553 8.2549 117.2604 54.8699 31.0962 175.1706 2 P 4.0338 0.0000 0.0000 60.4929 32.0140 176.1409 3 D 4.3452 8.3124 121.5452 56.4067 40.2096 178.0365 4 F 4.4719 7.7466 114.4238 58.7279 37.6768 177.1133 5 C 4.7787 7.5322 116.0803 58.7683 40.1732 174.5002 6 L 4.2566 8.0660 120.3971 54.5922 42.2335 176.8077 7 E 4.2103 7.4589 117.4195 55.0052 30.2635 175.2017 8 P 4.4272 0.0000 0.0000 61.6120 32.1423 174.3878 9 P 3.6400 0.0000 0.0000 62.7177 31.4293 175.1620 10 Y 4.6895 7.7113 120.4091 56.1714 41.1131 175.3494 11 T 4.2387 7.7698 124.1595 64.7043 68.9000 175.7310 12 G 3.6715 6.8672 105.2324 44.0904 0.0000 170.9055 13 P 4.4740 0.0000 0.0000 63.1221 31.5863 176.6664 14 C 4.7565 7.6453 116.9987 56.0440 41.9165 173.4450 15 K 4.1804 8.2099 118.5542 56.4317 32.3042 176.7727 16 A 4.3808 7.5071 120.6189 51.1618 21.0053 177.4929 17 R 4.4731 8.3735 118.9876 54.7120 31.8584 174.6988 18 I 4.4139 8.2960 127.8117 59.0535 39.9007 175.3153 19 I 4.1041 8.3738 129.0281 61.4177 37.5967 175.7584 20 R 4.9114 8.4961 125.6764 54.5199 34.6794 173.7302 21 Y 5.5730 9.5978 117.1078 56.5760 41.4148 175.4158 22 F 5.7693 9.8164 117.0604 55.4212 42.1070 172.7673 23 Y 4.5486 9.7023 122.3724 56.8898 39.9359 174.3696 24 N 4.5534 8.1724 126.0027 51.6329 40.1374 174.6800 25 A 3.6166 8.4490 129.5586 55.1802 18.7130 179.4639 26 K 3.5782 8.1002 112.9019 59.5538 32.2345 177.8429 27 A 4.1398 7.9016 119.6745 51.9074 19.1392 179.3158 28 G 3.9658 8.5821 104.0650 45.3121 0.0000 172.6659 29 L 4.9257 7.1151 119.0229 54.0117 44.1926 174.4314 30 C 5.0944 8.6134 115.6159 55.9624 38.1075 173.5675 31 Q 4.9057 8.5228 120.8098 54.1389 32.8580 174.7903 32 T 4.7104 8.4340 111.1614 61.5881 70.3295 173.5536 33 F 5.0009 8.8757 117.2007 55.8387 41.9849 172.9840 34 V 4.2311 8.4362 119.5447 62.0058 32.9224 173.6465 35 Y 4.8966 8.7781 130.4194 56.2942 40.2380 176.2258 36 G 3.7686 8.4169 113.7422 46.2245 0.0000 175.0455 37 G 3.7818 6.5493 108.1914 45.0408 0.0000 172.6350 38 C 4.9778 6.8291 112.0749 54.9914 44.5897 173.3924 39 R 3.8946 8.9165 117.8371 57.0705 26.6553 176.6609 40 A 4.1113 8.4446 119.3386 52.7075 18.8341 178.3355 41 K 4.4264 8.1891 120.5664 54.7136 34.3731 176.9786 42 R 3.5503 8.1680 117.9490 59.1370 30.3356 177.7451 43 N 4.8600 8.3192 117.8965 51.8109 37.0647 173.7748 44 N 5.1917 6.9674 116.6153 52.6084 41.6079 173.1694 45 F 5.0454 9.6805 124.9016 55.4375 42.4577 176.8389 46 K 4.4970 8.8809 122.7402 58.7881 32.3541 177.5385 47 S 4.2843 7.6941 112.2602 55.5463 67.3566 174.5723 48 A 3.5393 7.2792 123.2533 54.7198 18.0180 179.8553 49 E 3.7764 7.7477 116.7756 59.7632 29.6966 179.0540 50 D 4.3464 7.8832 118.8479 57.3808 40.8581 178.1677 51 C 2.4500 7.6258 118.6195 59.4134 43.4763 175.6175 52 M 3.9327 8.0296 120.5262 58.3431 31.2682 178.9397 53 R 3.8262 8.0340 117.8437 59.3142 30.2474 178.7200 54 T 4.2390 7.3540 113.8896 65.2330 68.8594 175.2028 55 C 4.4847 8.0325 115.5704 56.2762 40.8535 174.2244 56 G 3.6417 8.0467 115.4179 45.6826 0.0000 174.1996 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 R 8.25 4.16 0.00 1.66 1.80 0.00 2.96 0.00 0.00 2.95 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.51 0.00 2 P 0.00 4.03 0.00 0.78 1.48 0.00 3.26 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 3 D 8.31 4.35 0.00 2.94 2.90 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 4 F 7.75 4.47 0.00 3.40 3.39 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 5 C 7.53 4.78 0.00 2.98 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 4.26 0.00 1.71 1.77 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.46 4.21 0.00 2.07 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 2.78 2.28 0.00 8 P 0.00 4.43 0.00 2.12 2.07 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 9 P 0.00 3.64 0.00 0.69 0.49 0.00 3.32 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.00 10 Y 7.71 4.69 0.00 2.76 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.77 4.24 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 12 G 6.87 3.67 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 0.00 0.00 0.00 13 P 0.00 4.47 0.00 2.18 2.17 0.00 3.95 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 1.96 2.02 0.00 14 C 7.65 4.76 0.00 2.97 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.18 0.00 1.68 1.75 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.31 7.81 16 A 7.51 4.38 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.37 4.47 0.00 1.73 1.79 0.00 3.15 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 18 I 8.30 4.41 2.02 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.63 0.98 0.00 0.00 19 I 8.37 4.10 1.83 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 1.30 0.69 0.72 0.00 0.00 20 R 8.50 4.91 0.00 0.76 1.95 0.00 3.47 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 21 Y 9.60 5.57 0.00 3.10 3.02 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 0.00 0.00 0.00 22 F 9.82 5.77 0.00 3.25 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.70 4.55 0.00 2.91 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 24 N 8.17 4.55 0.00 2.33 2.41 0.00 0.00 6.68 8.44 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 25 A 8.45 3.62 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.10 3.58 0.00 1.85 1.90 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 27 A 7.90 4.14 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 28 G 8.58 3.97 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 0.00 0.00 0.00 29 L 7.12 4.93 0.00 1.68 1.76 0.88 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.61 5.09 0.00 2.93 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.52 4.91 0.00 1.49 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.19 2.03 0.00 32 T 8.43 4.71 3.96 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 0.37 0.00 0.00 33 F 8.88 5.00 0.00 2.98 3.06 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 34 V 8.44 4.23 2.07 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 0.87 0.00 0.00 0.90 0.00 0.00 35 Y 8.78 4.90 0.00 2.66 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 36 G 8.42 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.55 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 38 C 6.83 4.98 0.00 3.05 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 39 R 8.92 3.89 0.00 2.29 2.42 0.00 3.46 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 40 A 8.44 4.11 0.88 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 0.00 0.00 41 K 8.19 4.43 0.00 1.70 1.98 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.67 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.26 1.17 7.81 42 R 8.17 3.55 0.00 1.24 0.66 0.00 3.06 0.00 0.00 2.94 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.20 0.00 43 N 8.32 4.86 0.00 3.10 2.87 0.00 0.00 6.92 8.30 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 44 N 6.97 5.19 0.00 2.68 2.54 0.00 0.00 7.09 7.02 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 45 F 9.68 5.05 0.00 3.26 2.98 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 46 K 8.88 4.50 0.00 1.83 1.95 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.48 7.81 47 S 7.69 4.28 0.00 3.94 3.84 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 48 A 7.28 3.54 1.03 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.75 3.78 0.00 1.98 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 2.34 2.39 0.00 50 D 7.88 4.35 0.00 2.79 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 51 C 7.63 2.45 0.00 2.67 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 52 M 8.03 3.93 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.78 0.00 53 R 8.03 3.83 0.00 1.86 1.95 0.00 3.13 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 54 T 7.35 4.24 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 1.48 0.00 0.00 55 C 8.03 4.48 0.00 2.34 1.71 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 56 G 8.05 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00