NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2540 8.2549 119.7066 56.0066 31.1723 175.3716 2 N 4.4007 8.3690 119.4288 52.2922 39.8717 173.4942 3 L 3.7262 8.2693 117.7299 56.7094 41.7626 175.8571 4 S 4.5165 7.2236 113.8021 57.0475 59.7464 174.1129 5 D 4.4008 7.7640 126.3034 57.9233 41.1390 178.3039 6 R 3.7519 7.9039 118.8586 59.1741 30.0220 178.2603 7 A 4.0489 7.8787 120.6493 54.9718 18.2979 179.7245 8 K 3.9247 7.9806 116.5998 59.4715 32.2142 179.0518 9 F 3.9277 8.3573 120.8243 61.4892 39.2077 176.9029 10 E 4.4156 8.5372 117.6616 59.0564 29.6872 178.5879 11 S 4.3371 8.3127 114.8391 61.4548 63.1194 176.2135 12 M 4.1130 8.2043 121.3620 58.2669 32.1592 177.7637 13 I 3.9239 8.0991 117.1815 63.3019 38.1834 176.4285 14 N 4.4146 7.5504 116.0200 56.1153 40.0566 175.4067 15 S 4.7136 7.4109 115.9890 56.6259 64.6776 170.9283 16 P 4.7400 0.0000 0.0000 61.5586 32.9015 177.8152 17 S 4.7624 8.4666 119.4287 57.6905 64.1967 173.5534 18 K 2.5273 7.5275 120.8428 59.4112 31.6501 179.2042 19 S 4.0399 7.5721 113.9430 61.4382 63.2823 176.6467 20 V 3.5652 7.6105 121.3823 65.4948 31.2108 177.6507 21 F 4.1364 8.1626 120.8549 61.1940 39.0374 177.1988 22 V 3.4365 7.5156 117.5520 66.0358 31.1617 178.2203 23 R 3.8560 7.6515 114.0252 58.9084 29.3360 177.7064 24 N 4.5028 7.7351 116.2474 54.6403 38.9380 176.8563 25 L 3.4775 7.9267 122.9641 57.9049 41.9479 178.4657 26 N 4.2758 7.5900 116.6499 56.4276 37.0350 176.7737 27 E 3.9269 8.0841 122.2225 58.1263 29.6110 178.2868 28 L 3.8330 8.3813 120.9556 58.3142 42.1348 178.9559 29 E 4.0052 8.8653 118.9241 59.2052 29.3496 179.2511 30 A 4.0035 7.7871 120.6021 55.1773 18.3903 179.7182 31 L 3.9965 8.5626 117.7302 57.7349 41.6941 179.4887 32 A 4.1891 8.5738 121.1901 55.4152 18.1737 179.9026 33 V 3.7105 7.6107 115.2999 66.2010 31.6630 178.0994 34 R 4.0708 7.8683 116.9182 59.2368 29.9641 178.7852 35 L 4.1206 8.1937 118.2983 56.5461 42.1468 178.2343 36 G 4.1530 6.9742 107.2449 45.6221 0.0000 174.1977 37 K 4.5109 8.1107 120.0306 57.6083 34.4972 178.5809 38 S 4.1247 7.9857 115.0334 61.7161 63.0871 175.9808 39 Y 3.8856 8.0342 119.7303 60.0963 37.5658 177.9364 40 R 4.1129 7.9597 119.6736 59.3490 30.1449 178.4036 41 I 3.7657 7.5990 119.9121 64.4742 37.0849 178.3848 42 Q 4.2053 7.6760 117.8501 58.6793 28.4984 178.5563 43 L 4.0904 8.2921 121.4785 58.4656 42.2048 178.4527 44 D 4.4681 8.4068 117.9434 57.5887 40.9772 178.2686 45 Q 3.9940 8.3943 118.4115 59.0165 28.6065 178.7702 46 A 3.9532 8.1411 121.7519 54.8573 18.3136 179.8480 47 K 4.2643 8.3360 117.1216 59.9325 32.0314 179.2802 48 E 4.0995 8.2754 118.1589 58.7961 29.5589 178.1101 49 K 3.8533 7.8850 119.5390 59.4911 32.1947 178.3003 50 W 4.1832 7.5069 117.4700 57.2462 29.2796 177.0985 51 K 4.1521 9.0146 126.6182 56.8284 36.1903 176.4151 52 V 3.2526 7.1388 115.6650 64.1423 29.3522 174.0500 53 K 4.1968 7.7045 127.3748 56.2742 32.2562 175.3525 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 4.25 0.00 1.81 1.93 0.00 3.17 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 2 N 8.37 4.40 0.00 2.91 2.77 0.00 0.00 6.76 5.85 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 3 L 8.27 3.73 0.00 1.74 1.72 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 4 S 7.22 4.52 0.00 4.25 4.01 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 5 D 7.76 4.40 0.00 2.66 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 3.75 0.00 1.75 1.85 0.00 2.21 0.00 0.00 2.57 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.42 0.00 7 A 7.88 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.98 3.92 0.00 2.06 1.90 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.71 7.81 9 F 8.36 3.93 0.00 3.30 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.54 4.42 0.00 2.23 2.22 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 2.41 2.45 0.00 11 S 8.31 4.34 0.00 4.12 4.31 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.20 4.11 0.00 1.84 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 13 I 8.10 3.92 2.13 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 1.08 0.00 0.00 14 N 7.55 4.41 0.00 3.02 2.97 0.00 0.00 6.97 7.54 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 15 S 7.41 4.71 0.00 3.89 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 16 P 0.00 4.74 0.00 2.66 2.41 0.00 3.89 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 17 S 8.47 4.76 0.00 3.96 3.83 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 18 K 7.53 2.53 0.00 0.98 1.32 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.04 0.82 7.81 19 S 7.57 4.04 0.00 4.02 4.02 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 20 V 7.61 3.57 2.21 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 1.13 0.00 0.00 0.92 0.00 0.00 21 F 8.16 4.14 0.00 3.16 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 22 V 7.52 3.44 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 0.91 0.00 0.00 0.92 0.00 0.00 23 R 7.65 3.86 0.00 1.98 2.00 0.00 3.07 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 24 N 7.74 4.50 0.00 2.88 2.75 0.00 0.00 6.48 6.01 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 25 L 7.93 3.48 0.00 1.16 1.57 0.55 0.37 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 26 N 7.59 4.28 0.00 2.97 3.02 0.00 0.00 6.66 7.48 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 27 E 8.08 3.93 0.00 2.04 1.92 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 2.28 2.29 0.00 28 L 8.38 3.83 0.00 1.69 1.47 0.65 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.87 4.01 0.00 2.13 1.99 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 2.32 2.52 0.00 30 A 7.79 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 31 L 8.56 4.00 0.00 1.95 1.87 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.57 4.19 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 0.00 0.00 33 V 7.61 3.71 2.23 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 0.84 0.00 0.00 1.06 0.00 0.00 34 R 7.87 4.07 0.00 2.03 1.97 0.00 3.22 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 35 L 8.19 4.12 0.00 1.56 1.34 0.43 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 36 G 6.97 4.15 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 0.00 0.00 0.00 37 K 8.11 4.51 0.00 1.97 2.04 0.00 1.52 0.00 0.00 1.88 0.00 0.00 3.26 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.46 7.81 38 S 7.99 4.12 0.00 4.05 4.18 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 39 Y 8.03 3.89 0.00 2.82 2.48 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 40 R 7.96 4.11 0.00 1.98 2.05 0.00 3.23 0.00 0.00 3.38 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 41 I 7.60 3.77 1.98 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 1.54 0.72 0.92 0.00 0.00 42 Q 7.68 4.21 0.00 2.46 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.49 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 43 L 8.29 4.09 0.00 2.18 2.04 0.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.41 4.47 0.00 2.93 2.85 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 45 Q 8.39 3.99 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 46 A 8.14 3.95 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.34 4.26 0.00 2.04 2.08 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.72 1.83 7.81 48 E 8.28 4.10 0.00 1.97 1.99 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 2.33 2.35 0.00 49 K 7.89 3.85 0.00 1.68 1.82 0.00 1.58 0.00 0.00 1.39 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 1.19 7.81 50 W 7.51 4.18 0.00 2.90 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.01 4.15 0.00 1.85 1.84 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.36 7.81 52 V 7.14 3.25 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.29 0.00 0.00 53 K 7.70 4.20 0.00 1.75 1.64 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.41 7.81