NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.3657 8.4449 120.3666 55.9592 31.0194 172.6413 3 Y 4.6425 8.3086 121.3264 56.5010 38.9832 172.5209 4 E 4.1700 9.4836 123.1873 56.5618 31.1426 176.0862 5 E 4.6197 8.6874 121.0622 54.9382 33.1638 175.5294 6 G 3.8755 8.7861 105.9410 43.7514 0.0000 171.1645 7 P 4.1830 0.0000 0.0000 64.3060 31.4080 177.4170 8 G 3.8675 8.8731 109.8964 45.7457 0.0000 173.7607 9 K 4.4185 8.0917 117.5269 55.9732 33.8343 176.2259 10 N 4.8966 7.9034 115.8912 52.3338 37.8897 174.5574 11 I 4.4700 7.0849 110.3934 59.1627 40.5058 173.3410 12 P 4.3281 0.0000 0.0000 63.8043 31.6920 175.8127 13 F 4.9441 6.7743 113.1727 54.8269 40.6596 174.1943 14 S 4.5582 8.5262 115.8855 57.5068 63.1805 174.2454 15 V 4.4916 7.9934 119.7039 61.1678 32.3245 176.8266 16 E 3.9474 8.2098 122.5724 58.5678 29.7303 176.9658 17 N 4.9033 7.8754 118.1823 51.2213 41.1895 174.8779 18 K 3.8827 8.4313 128.3425 59.4054 32.5793 178.8367 19 W 4.4499 7.7795 119.8572 59.2692 29.3000 178.3637 20 R 3.9949 8.6564 118.9868 59.1938 29.4395 178.2375 21 L 3.9347 8.3598 120.7049 58.1787 42.1106 178.7419 22 L 3.9228 7.8705 119.9532 57.9721 41.9699 178.8989 23 A 4.0487 7.9806 120.6311 55.3735 18.3767 179.2295 24 M 3.9945 8.2125 117.2941 59.1128 32.0213 178.8677 25 M 4.2330 8.3208 118.6891 58.8618 32.0707 179.0907 26 T 3.9800 8.1394 115.7363 66.5633 68.6046 176.7322 27 L 4.0001 8.1193 120.8016 58.3772 41.5986 178.6038 28 F 3.9779 8.7764 120.5729 62.1733 39.0900 177.1141 29 F 4.1991 9.1991 117.2492 60.3515 38.9054 178.1963 30 G 3.7536 8.6790 106.1446 47.7186 0.0000 175.8779 31 S 4.2160 8.6079 117.4211 61.1746 62.7234 176.8550 32 G 3.5399 7.4780 108.4645 47.4641 0.0000 175.1739 33 F 4.3678 8.2327 121.9517 60.8162 39.7626 176.7893 34 A 4.4479 8.6616 120.5582 54.5922 18.2615 179.0802 35 A 3.9997 8.0805 119.7074 55.3731 18.3376 178.1120 36 P 4.1040 0.0000 0.0000 65.6257 31.2822 178.8322 37 F 3.9160 7.9232 116.0637 60.6733 38.9103 177.6204 38 F 3.9586 8.4553 116.8191 60.3500 38.6259 177.9762 39 I 3.9232 8.0870 119.7925 64.1467 36.8429 178.6256 40 V 3.5322 7.9932 119.4480 65.8293 31.3774 178.0468 41 R 3.8084 8.0780 118.6557 59.6140 29.6867 177.7601 42 H 4.1150 8.3848 117.1277 59.6970 30.3012 176.9440 43 Q 4.0954 8.3606 119.7022 58.8566 27.5114 178.7126 44 L 4.1552 7.9662 120.1531 57.1964 41.4868 178.4109 45 L 4.3128 7.7440 116.2270 55.2839 41.7961 178.1294 46 K 4.2179 7.2614 118.0998 56.9780 32.7813 176.3867 47 K 3.9438 7.1530 120.5684 57.2883 33.7798 173.7429 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 2 H 8.44 4.37 0.00 3.05 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.31 4.64 0.00 3.15 2.72 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 4 E 9.48 4.17 0.00 1.96 1.87 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 2.34 2.28 0.00 5 E 8.69 4.62 0.00 1.88 1.80 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 2.20 2.42 0.00 6 G 8.79 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 0.00 0.00 0.00 7 P 0.00 4.18 0.00 2.02 2.01 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 8 G 8.87 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 9 K 8.09 4.42 0.00 1.79 1.78 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.58 7.81 10 N 7.90 4.90 0.00 2.76 2.84 0.00 0.00 5.83 7.81 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 11 I 7.08 4.47 0.76 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.29 0.66 0.00 0.00 12 P 0.00 4.33 0.00 2.21 2.16 0.00 3.49 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.97 0.00 13 F 6.77 4.94 0.00 3.07 2.94 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 14 S 8.53 4.56 0.00 3.84 3.82 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 15 V 7.99 4.49 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 0.90 0.00 0.00 0.88 0.00 0.00 16 E 8.21 3.95 0.00 1.93 1.98 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 2.33 2.30 0.00 17 N 7.88 4.90 0.00 2.79 2.68 0.00 0.00 6.89 6.75 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 18 K 8.43 3.88 0.00 1.50 1.72 0.00 0.90 0.00 0.00 1.08 0.00 0.00 2.72 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.73 0.21 7.81 19 W 7.78 4.45 0.00 3.65 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 20 R 8.66 3.99 0.00 2.08 1.97 0.00 3.14 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 21 L 8.36 3.93 0.00 1.83 1.70 1.01 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.87 3.92 0.00 1.95 1.98 0.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.98 4.05 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.21 3.99 0.00 1.94 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.94 0.00 25 M 8.32 4.23 0.00 2.22 2.18 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 2.77 2.46 0.00 26 T 8.14 3.98 4.59 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 27 L 8.12 4.00 0.00 1.96 1.76 0.95 0.85 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 28 F 8.78 3.98 0.00 3.00 2.94 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 29 F 9.20 4.20 0.00 3.29 3.09 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 0.00 0.00 0.00 0.00 30 G 8.68 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 31 S 8.61 4.22 0.00 3.95 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 0.00 32 G 7.48 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.23 4.37 0.00 3.22 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.66 4.45 1.52 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 0.00 0.00 35 A 8.08 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.10 0.00 1.61 1.83 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 37 F 7.92 3.92 0.00 3.31 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 38 F 8.46 3.96 0.00 3.20 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 39 I 8.09 3.92 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 0.91 0.00 0.00 40 V 7.99 3.53 2.17 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 0.95 0.00 0.00 0.82 0.00 0.00 41 R 8.08 3.81 0.00 1.82 2.04 0.00 2.97 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 42 H 8.38 4.12 0.00 3.21 3.51 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.36 4.10 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 44 L 7.97 4.16 0.00 1.82 1.69 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.74 4.31 0.00 1.60 1.68 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.26 4.22 0.00 1.75 1.81 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.37 7.81 47 K 7.15 3.94 0.00 1.70 1.64 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.19 1.14 7.81