NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3133 8.2549 117.2822 54.8631 30.7931 175.0367 2 P 4.0290 0.0000 0.0000 61.8635 31.8871 174.4343 3 D 4.4557 8.5429 123.5670 53.2963 42.2652 176.5266 4 F 4.4344 8.6080 122.5594 59.6193 38.1123 177.8650 5 C 4.6219 8.0467 118.3240 59.0509 40.0140 174.1665 6 L 4.4752 7.7387 117.9036 54.5010 41.7872 176.4792 7 E 4.3262 7.8310 119.2748 54.9116 30.2049 175.0909 8 P 4.3641 0.0000 0.0000 61.4521 32.0927 174.6414 9 P 3.6046 0.0000 0.0000 62.7715 31.3267 175.3577 10 Y 4.6072 7.9297 122.0590 55.9820 39.8350 175.2047 11 T 4.1009 7.6871 124.9173 64.6328 68.7984 176.1518 12 G 3.6551 6.8146 104.9166 43.9008 0.0000 171.2998 13 P 4.3283 0.0000 0.0000 65.1189 31.8963 177.9891 14 C 4.5266 7.9794 116.2125 57.0098 40.6861 173.4896 15 K 4.6749 8.2801 119.8314 56.3736 32.0217 176.6805 16 A 4.3573 7.8354 120.6871 51.1921 20.7780 177.6785 17 R 4.7124 8.1252 118.4581 54.4201 29.6176 173.0426 18 I 4.3186 8.2094 122.6078 59.2632 39.6372 175.1378 19 I 4.2202 8.2771 128.2744 61.1013 37.5809 175.3592 20 R 4.8747 8.5022 125.6986 54.5033 34.4377 174.0506 21 Y 5.6522 9.5604 117.7272 56.5832 41.1990 175.3487 22 F 5.7445 9.6183 117.1049 55.4460 42.0605 172.8406 23 Y 4.4451 10.1068 123.0620 57.2375 39.4871 174.5327 24 N 4.5837 8.0226 126.6621 51.6598 38.9187 175.0318 25 A 3.7422 8.5628 132.3770 55.4492 18.9597 179.6263 26 K 4.0710 7.9532 116.4541 57.4010 31.7958 181.2109 27 A 4.2382 7.9951 120.3315 51.8834 19.2222 177.4165 28 G 3.8704 8.6780 104.0087 45.7401 0.0000 173.1981 29 L 4.6166 6.8544 117.1723 54.2113 44.0139 174.6626 30 C 4.8701 8.7211 117.9161 56.9810 38.9927 173.1840 31 Q 4.9114 8.7513 122.5492 54.0438 32.3520 174.8248 32 T 4.7886 8.3287 110.7755 61.4631 70.5786 173.5195 33 F 4.8955 8.8988 117.2545 56.2582 42.0561 172.6887 34 V 4.1555 8.4287 119.3136 61.6798 32.8395 174.4804 35 G 3.8511 8.8506 116.4841 44.8100 0.0000 174.5958 36 G 4.0464 8.4982 112.3213 46.4837 0.0000 175.2522 37 G 4.2216 9.4253 107.7496 45.3732 0.0000 172.0168 38 C 4.8310 7.6281 111.9556 54.6905 44.4782 172.9958 39 R 3.7554 8.6669 115.7698 57.0040 27.3353 176.8819 40 A 4.2361 8.0511 118.8966 52.2979 19.0720 178.5388 41 K 4.3820 8.3714 121.2415 55.0473 33.8636 177.2462 42 R 3.6481 8.0991 117.8342 58.7926 30.4666 177.4838 43 N 4.7793 7.8782 118.3125 51.3627 37.4856 174.8682 44 N 5.1333 6.6188 116.6171 53.0609 41.2488 172.9920 45 F 5.1578 9.6236 124.9227 55.5194 42.2740 176.9625 46 K 4.5586 8.8938 122.0697 58.6898 32.5731 177.7436 47 S 4.5170 7.7788 112.2070 55.5501 67.2336 174.6207 48 A 3.2865 7.3700 123.8828 54.9120 18.0487 179.8906 49 E 3.7867 7.7856 116.6376 59.6474 29.6017 179.1376 50 D 4.2824 7.9542 118.8561 57.3536 40.9007 178.0170 51 C 2.4500 7.6886 118.8077 59.4327 44.8243 175.5927 52 M 3.9065 8.0857 120.6359 58.2687 31.2590 178.7681 53 R 3.7950 7.6721 117.9784 59.5701 30.3120 178.3173 54 T 4.1903 7.4769 114.4174 65.4852 69.0853 174.9261 55 C 4.5259 8.2767 115.7104 55.7499 41.8224 174.0974 56 G 3.7455 7.5037 109.8003 47.2516 0.0000 174.1592 57 G 3.7940 8.8419 111.0681 45.3492 0.0000 173.2534 58 A 4.0118 7.1182 127.6736 52.2053 18.2448 177.7860 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 4.31 0.00 1.96 2.02 0.00 3.05 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 2 P 0.00 4.03 0.00 2.18 2.06 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 3 D 8.54 4.46 0.00 2.62 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 4.43 0.00 3.25 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.62 0.00 2.93 3.17 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 6 L 7.74 4.48 0.00 1.77 1.75 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.83 4.33 0.00 2.12 1.90 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 2.43 2.49 0.00 8 P 0.00 4.36 0.00 1.98 1.91 0.00 3.67 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 2.01 2.07 0.00 9 P 0.00 3.60 0.00 0.69 0.49 0.00 3.30 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.00 10 Y 7.93 4.61 0.00 2.79 2.91 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 11 T 7.69 4.10 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 6.81 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.33 0.00 2.18 2.20 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 14 C 7.98 4.53 0.00 3.05 3.05 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 0.00 0.00 0.00 15 K 8.28 4.67 0.00 1.70 1.78 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.52 7.81 16 A 7.84 4.36 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 17 R 8.13 4.71 0.00 1.74 1.76 0.00 3.32 0.00 0.00 3.18 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 18 I 8.21 4.32 1.89 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 1.18 0.65 0.85 0.00 0.00 19 I 8.28 4.22 1.80 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 1.25 0.39 0.73 0.00 0.00 20 R 8.50 4.87 0.00 0.79 1.92 0.00 3.52 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.54 0.00 21 Y 9.56 5.65 0.00 3.18 3.07 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 22 F 9.62 5.74 0.00 3.12 2.83 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 23 Y 10.11 4.45 0.00 3.03 3.22 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 24 N 8.02 4.58 0.00 2.18 2.43 0.00 0.00 6.64 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 8.56 3.74 1.39 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 0.00 0.00 26 K 7.95 4.07 0.00 1.76 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.26 7.81 27 A 8.00 4.24 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 3.87 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 0.00 0.00 0.00 29 L 6.85 4.62 0.00 1.69 1.70 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.72 4.87 0.00 2.92 3.20 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 0.00 0.00 0.00 0.00 31 Q 8.75 4.91 0.00 1.20 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.16 1.98 0.00 32 T 8.33 4.79 4.03 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 0.65 0.00 0.00 33 F 8.90 4.90 0.00 2.98 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.16 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 0.86 0.00 0.00 0.88 0.00 0.00 35 G 8.85 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 0.00 0.00 0.00 36 G 8.50 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 37 G 9.43 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 38 C 7.63 4.83 0.00 3.05 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 39 R 8.67 3.76 0.00 2.12 2.20 0.00 3.29 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 40 A 8.05 4.24 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.38 0.00 1.77 1.72 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.19 1.29 7.81 42 R 8.10 3.65 0.00 0.93 0.66 0.00 2.30 0.00 0.00 2.82 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.27 0.00 43 N 7.88 4.78 0.00 3.20 2.90 0.00 0.00 6.70 7.79 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 44 N 6.62 5.13 0.00 2.86 2.79 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 9.62 5.16 0.00 3.34 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 46 K 8.89 4.56 0.00 1.85 1.96 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.51 7.81 47 S 7.78 4.52 0.00 3.99 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 48 A 7.37 3.29 0.94 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 0.00 0.00 0.00 0.00 0.00 49 E 7.79 3.79 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 7.95 4.28 0.00 2.92 2.88 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 51 C 7.69 2.45 0.00 2.85 3.03 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 52 M 8.09 3.91 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.51 0.00 53 R 7.67 3.79 0.00 1.84 2.01 0.00 3.24 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 54 T 7.48 4.19 4.08 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 0.00 0.00 0.00 1.63 0.00 0.00 55 C 8.28 4.53 0.00 2.80 2.44 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 56 G 7.50 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 57 G 8.84 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 58 A 7.12 4.01 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