NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8381 8.2516 119.7221 55.3315 33.5824 175.8735 2 K 4.0477 8.1577 121.0302 57.2160 32.7909 175.3884 3 A 4.5826 8.4707 117.2933 52.5723 24.0974 174.7363 4 K 4.7355 7.7067 114.7381 54.9208 35.7699 176.7798 5 E 4.7436 8.3264 115.7168 57.1749 31.3346 174.7849 6 L 3.9626 7.7677 117.6198 55.9105 42.0942 174.7356 7 R 3.7500 8.6552 125.1699 56.5682 26.9997 175.0069 8 E 4.5271 7.7660 116.2978 53.9039 32.0611 172.0695 9 K 3.9557 7.9849 127.4447 57.3300 32.8347 175.8032 10 S 3.8921 8.2796 118.6955 59.2390 61.2511 173.1334 11 V 4.1391 8.0714 119.3909 62.7294 32.1166 177.6615 12 E 3.8745 8.1574 121.2309 59.6002 29.3673 178.3914 13 E 3.9263 7.7787 117.9278 59.3006 29.3979 178.7006 14 L 3.9623 7.3561 116.6562 58.1378 41.8742 179.0953 15 N 4.5475 7.9828 114.3090 55.2852 38.2412 177.3298 16 T 4.0779 7.6352 117.2514 65.9690 67.6327 176.5985 17 E 4.0222 8.3407 120.9202 59.1628 29.4530 179.0758 18 L 4.1127 7.6598 120.4219 57.7430 41.9851 178.0867 19 L 4.3103 7.6229 115.4812 54.9013 41.8992 177.3513 20 N 4.9399 7.4188 115.9010 52.5728 39.4024 176.2477 21 L 4.4651 6.8917 121.4923 55.8174 42.2888 176.5623 22 L 2.9779 7.1884 122.7882 55.1270 40.9295 177.4654 23 R 3.9997 8.1326 125.5703 56.7906 27.5533 176.9374 24 E 4.6703 7.8140 114.8058 54.9472 33.2499 175.6747 25 Q 4.4288 8.1483 118.4131 57.0880 30.2876 177.4201 26 F 4.3597 8.2011 118.4675 60.4507 39.0725 176.6797 27 N 4.2100 8.4227 116.2910 56.9951 38.4182 176.5965 28 L 4.1672 7.3588 118.4158 57.6984 41.7885 179.4580 29 R 4.0735 7.9048 115.5889 59.7506 29.7128 178.7602 30 M 4.2107 7.7356 119.4433 57.1200 31.4859 177.7579 31 Q 4.5876 8.0392 115.7236 55.6197 29.1061 176.3030 32 A 4.9233 7.7028 120.4386 51.3206 19.5262 177.6940 33 A 4.4162 7.5511 119.5620 53.0481 20.2099 178.4918 34 S 4.7308 8.8887 110.4541 56.9895 63.7468 174.6904 35 G 3.5908 9.2534 108.4970 44.9785 0.0000 174.0493 36 Q 3.6700 8.4385 114.2855 57.8168 25.6917 173.7241 37 L 4.7010 7.7779 112.7878 53.7623 43.1761 177.3497 38 Q 4.5904 8.0522 118.3836 55.9930 30.2530 175.2166 39 Q 4.6084 7.6718 116.6824 55.9627 29.6235 177.7375 40 S 4.2072 8.2053 116.6439 61.5470 63.0370 175.4732 41 H 4.3287 8.2924 117.5631 58.3816 27.9894 177.2064 42 L 3.9890 7.0826 122.3278 57.6699 41.9172 178.4826 43 L 4.1567 7.2943 118.0882 57.3546 41.5903 179.1287 44 K 4.1397 7.9386 117.2546 58.7843 32.3538 177.4476 45 Q 4.2628 7.2764 116.0097 56.6741 29.8319 175.3455 46 V 3.9883 9.1410 120.5772 63.5302 31.7469 173.3931 47 R 3.9598 7.6821 117.5229 59.5855 30.1301 179.1483 48 R 4.6914 7.6343 115.4901 56.5427 30.3668 177.3015 49 D 4.7333 8.0327 116.2617 54.9499 46.5326 178.1539 50 V 3.8508 7.8468 117.7274 63.6125 31.4073 177.7183 51 A 4.2847 7.7164 120.3594 54.1122 18.6559 179.2231 52 R 4.0337 7.6088 116.0210 58.5527 30.2753 178.4278 53 V 4.2069 7.4937 109.0098 61.0483 33.0270 177.5844 54 K 4.2762 7.6028 118.0350 59.2283 32.4555 178.7386 55 T 4.0846 7.6429 115.9027 66.4603 68.6375 175.7205 56 L 4.6955 7.1313 119.7319 55.4796 41.7861 177.4644 57 L 4.7720 7.8593 117.6946 54.4860 44.2095 177.9252 58 N 4.9672 8.3027 113.1052 52.7869 39.7578 174.1175 59 E 4.6939 8.1602 117.0265 55.4708 30.4967 175.6178 60 K 4.3442 7.5689 114.4174 54.2683 34.5462 175.0136 61 A 3.4359 8.9412 119.2491 53.3771 15.0130 175.9803 62 G 3.8912 8.9529 107.5866 44.3947 0.0000 172.6565 63 A 4.2145 8.1054 119.6689 52.3262 19.4143 175.9670 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 M 8.25 4.84 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 2 K 8.16 4.05 0.00 1.79 1.82 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.50 7.81 3 A 8.47 4.58 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.71 4.74 0.00 1.78 1.68 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.38 7.81 5 E 8.33 4.74 0.00 1.85 1.85 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 2.19 2.54 0.00 6 L 7.77 3.96 0.00 1.67 1.59 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.66 3.75 0.00 1.95 2.01 0.00 3.34 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 8 E 7.77 4.53 0.00 2.09 1.89 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 2.42 2.24 0.00 9 K 7.98 3.96 0.00 1.99 1.87 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.44 7.81 10 S 8.28 3.89 0.00 3.92 3.76 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 11 V 8.07 4.14 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 0.88 0.00 0.00 0.93 0.00 0.00 12 E 8.16 3.87 0.00 2.04 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 2.39 2.42 0.00 13 E 7.78 3.93 0.00 2.20 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 0.00 2.48 2.36 0.00 14 L 7.36 3.96 0.00 1.83 1.71 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.98 4.55 0.00 2.82 2.83 0.00 0.00 7.11 8.38 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 16 T 7.64 4.08 4.38 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 1.19 0.00 0.00 17 E 8.34 4.02 0.00 2.17 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 2.32 2.42 0.00 18 L 7.66 4.11 0.00 1.80 1.80 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.62 4.31 0.00 1.69 1.62 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 20 N 7.42 4.94 0.00 2.69 2.87 0.00 0.00 6.93 7.73 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 21 L 6.89 4.47 0.00 1.72 1.46 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.19 2.98 0.00 1.45 1.44 0.82 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.13 4.00 0.00 1.91 2.00 0.00 3.53 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 24 E 7.81 4.67 0.00 1.89 1.84 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 2.25 2.27 0.00 25 Q 8.15 4.43 0.00 2.40 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 26 F 8.20 4.36 0.00 3.12 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 27 N 8.42 4.21 0.00 2.88 2.87 0.00 0.00 7.18 6.66 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 28 L 7.36 4.17 0.00 1.81 1.73 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.90 4.07 0.00 2.02 2.19 0.00 2.88 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.69 0.00 30 M 7.74 4.21 0.00 1.88 2.29 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.88 0.00 31 Q 8.04 4.59 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 32 A 7.70 4.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.55 4.42 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.89 4.73 0.00 3.83 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 35 G 9.25 3.59 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 0.00 0.00 0.00 0.00 36 Q 8.44 3.67 0.00 2.32 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 37 L 7.78 4.70 0.00 1.60 1.66 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.05 4.59 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 7.52 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 39 Q 7.67 4.61 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 40 S 8.21 4.21 0.00 3.89 3.92 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 41 H 8.29 4.33 0.00 3.34 3.56 0.00 5.45 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.08 3.99 0.00 1.47 1.82 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.29 4.16 0.00 1.80 1.72 0.92 0.90 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 44 K 7.94 4.14 0.00 1.85 1.89 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.74 7.81 45 Q 7.28 4.26 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 5.59 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 46 V 9.14 3.99 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 0.95 0.00 0.00 0.98 0.00 0.00 47 R 7.68 3.96 0.00 1.92 1.95 0.00 3.18 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 48 R 7.63 4.69 0.00 1.81 1.95 0.00 3.19 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 49 D 8.03 4.73 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.85 3.85 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 0.88 0.00 0.00 0.92 0.00 0.00 51 A 7.72 4.28 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 52 R 7.61 4.03 0.00 2.06 1.99 0.00 3.09 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 53 V 7.49 4.21 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 0.86 0.00 0.00 0.98 0.00 0.00 54 K 7.60 4.28 0.00 1.86 1.88 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.56 7.81 55 T 7.64 4.08 4.40 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 1.26 0.00 0.00 56 L 7.13 4.70 0.00 1.89 1.67 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.86 4.77 0.00 1.75 1.64 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.30 4.97 0.00 2.65 2.78 0.00 0.00 6.67 7.27 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 59 E 8.16 4.69 0.00 1.98 1.85 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 2.17 2.25 0.00 60 K 7.57 4.34 0.00 1.68 1.79 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.41 7.81 61 A 8.94 3.44 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.95 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 0.00 0.00 0.00 63 A 8.11 4.21 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