NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5623 8.3644 120.5312 54.1872 42.0483 174.3092 6 S 4.2992 8.5289 119.6499 56.7514 63.0855 172.3088 7 G 3.8625 9.4731 116.8367 46.5842 0.0000 172.9805 8 L 4.8491 7.7360 119.6056 52.0356 42.0847 175.5648 9 P 4.3005 0.0000 0.0000 65.7199 31.8007 178.8782 10 S 4.0903 8.0506 114.5867 61.5191 62.7657 176.6472 11 V 3.7155 7.7054 120.2308 65.9820 31.3822 177.7665 12 R 3.8868 8.3244 118.8191 59.6928 30.0236 178.5511 13 Q 4.0092 8.4806 118.2439 58.8979 28.6552 178.9220 14 V 3.6024 7.8421 119.4312 65.9417 31.5135 177.7876 15 Q 3.9907 8.5026 119.7813 59.2425 28.7275 178.4416 16 L 4.0280 8.1416 120.0548 57.7496 41.6579 179.4676 17 L 3.9980 7.8548 118.5146 57.6318 41.6147 179.7146 18 I 3.9674 7.8942 121.2177 63.7237 36.8907 178.2985 19 K 3.9131 8.1268 119.8404 59.6541 32.0276 177.4768 20 D 4.4884 8.2687 115.6977 54.4955 41.3038 175.9952 21 Q 3.4114 7.5374 117.2871 57.0898 26.7540 174.2702 22 T 4.2641 7.8865 113.6333 62.4850 69.4865 174.6964 23 P 4.6606 0.0000 0.0000 63.0088 32.8258 175.7563 24 V 5.0116 9.1437 115.7473 59.7913 36.7864 173.6325 25 E 4.8136 9.2185 123.2995 54.6007 31.9527 174.5861 26 I 4.5514 8.2864 127.9494 59.3082 39.7459 174.5051 27 K 4.1622 7.9969 129.7930 54.7992 33.0906 176.2843 28 L 4.8129 8.4784 127.7322 53.3319 43.6453 177.7356 29 L 4.1412 8.8229 120.5604 56.6349 41.5540 178.7274 30 T 3.9393 7.6515 108.5253 62.7962 69.0414 175.5769 31 G 3.9199 8.3478 111.2030 44.9721 0.0000 172.9135 32 D 4.9695 7.6990 119.1709 52.9243 43.7964 175.5885 33 S 5.0087 8.3606 115.1835 56.7608 66.7869 173.0927 34 L 4.7837 8.2341 121.3818 52.9526 45.0136 175.5836 35 F 5.1132 8.8586 118.9803 55.3284 42.5468 175.4433 36 G 3.9471 7.5945 109.1727 46.2976 0.0000 170.6294 37 T 4.8924 7.7692 115.9429 61.7135 71.3886 173.8310 38 I 4.3693 8.2557 126.4324 61.1244 38.0724 176.5186 39 R 4.5721 8.6826 125.4470 56.8105 32.2096 175.9891 40 W 5.1849 7.1722 113.9515 55.8715 31.2526 173.5780 41 Q 5.1278 8.8608 117.6249 54.9232 30.4580 174.2179 42 D 4.7458 9.1772 118.1181 52.8763 41.7872 175.6009 43 T 4.1950 8.6723 107.3869 63.9584 69.3744 174.5771 44 D 4.8117 7.9348 118.4784 54.7399 42.8300 175.5086 45 G 4.6863 8.4310 105.3126 45.2784 0.0000 171.7206 46 L 4.5568 8.7762 119.4232 53.5362 44.6727 175.6117 47 G 3.1911 6.2565 107.3560 44.2562 0.0000 172.2734 48 L 5.0540 8.6384 128.4846 53.0844 44.8114 174.9678 49 V 4.8667 8.7680 126.9205 61.2618 33.9992 175.4651 50 D 4.9791 8.7782 128.6345 51.8829 41.3729 176.4496 51 D 4.3960 8.7073 117.9211 56.3176 38.9297 177.2067 52 S 4.4945 8.7363 113.5529 57.5047 63.1995 174.2012 53 E 3.9418 7.9738 118.6328 57.5982 27.3395 174.1525 54 R 4.1258 7.6354 120.2139 55.8375 30.5915 174.8209 55 S 4.9737 8.5760 120.6378 57.7751 63.5862 173.1174 56 T 4.6753 8.9684 123.6656 61.7861 72.0737 172.9926 57 I 4.5602 8.4957 127.0279 60.3928 38.2441 175.1346 58 V 4.2626 8.4223 128.5566 60.8381 33.6008 175.3848 59 R 4.4740 8.4778 127.3344 55.9258 30.8827 177.7001 60 L 3.9575 8.8761 123.4391 57.6929 41.8386 179.4510 61 A 3.9758 7.9931 119.9601 54.4897 18.6272 177.6977 62 A 4.3293 7.9565 117.6201 52.5333 19.2572 176.7445 63 I 4.3400 7.4231 117.5261 60.1418 38.4023 175.6459 64 A 4.4092 8.7975 128.6303 54.3726 18.9231 176.8553 65 Y 4.8854 7.0458 110.9930 56.2151 41.6450 172.9604 66 I 5.0623 8.4214 120.1252 59.8548 40.4389 175.0789 67 T 4.7405 9.0312 120.8222 59.5084 70.9368 171.2891 68 P 4.8027 0.0000 0.0000 62.5880 32.3249 176.6786 69 R 4.1598 8.6943 121.7646 56.6450 30.0042 176.5392 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 5 D 8.36 4.56 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.53 4.30 0.00 3.91 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 7 G 9.47 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.74 4.85 0.00 1.70 1.57 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.30 0.00 2.26 2.31 0.00 3.79 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 10 S 8.05 4.09 0.00 3.89 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 0.00 11 V 7.71 3.72 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 1.13 0.00 0.00 0.95 0.00 0.00 12 R 8.32 3.89 0.00 1.90 2.03 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 13 Q 8.48 4.01 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 14 V 7.84 3.60 2.20 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 1.00 0.00 0.00 0.96 0.00 0.00 15 Q 8.50 3.99 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 16 L 8.14 4.03 0.00 1.92 1.71 0.93 0.49 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 17 L 7.85 4.00 0.00 1.88 1.71 0.92 0.87 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 18 I 7.89 3.97 2.19 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.99 0.98 0.00 0.00 19 K 8.13 3.91 0.00 1.70 1.98 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.43 7.81 20 D 8.27 4.49 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.54 3.41 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 22 T 7.89 4.26 4.25 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 1.22 0.00 0.00 23 P 0.00 4.66 0.00 2.10 2.00 0.00 3.55 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 24 V 9.14 5.01 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 0.70 0.00 0.00 0.90 0.00 0.00 25 E 9.22 4.81 0.00 2.19 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 1.96 1.64 0.00 26 I 8.29 4.55 1.65 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.53 0.74 0.00 0.00 27 K 8.00 4.16 0.00 0.87 0.74 0.00 1.43 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.95 0.91 7.81 28 L 8.48 4.81 0.00 1.61 1.47 0.83 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.82 4.14 0.00 1.55 1.70 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.65 3.94 4.21 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 1.18 0.00 0.00 31 G 8.35 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 0.00 0.00 0.00 32 D 7.70 4.97 0.00 2.58 2.54 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 33 S 8.36 5.01 0.00 3.43 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 34 L 8.23 4.78 0.00 1.32 1.39 0.82 0.93 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 35 F 8.86 5.11 0.00 2.88 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 36 G 7.59 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.77 4.89 4.23 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 0.00 0.00 0.00 1.22 0.00 0.00 38 I 8.26 4.37 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.81 0.75 0.00 0.00 39 R 8.68 4.57 0.00 1.57 2.10 0.00 3.44 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 40 W 7.17 5.18 0.00 3.40 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 41 Q 8.86 5.13 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 42 D 9.18 4.75 0.00 2.89 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 43 T 8.67 4.20 4.26 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 1.23 0.00 0.00 44 D 7.93 4.81 0.00 2.75 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 45 G 8.43 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.78 4.56 0.00 1.47 1.51 0.65 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 47 G 6.26 3.19 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 0.00 48 L 8.64 5.05 0.00 1.55 1.38 0.87 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.77 4.87 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 1.07 0.00 0.00 0.94 0.00 0.00 50 D 8.78 4.98 0.00 2.97 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 51 D 8.71 4.40 0.00 2.81 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 52 S 8.74 4.49 0.00 4.02 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 0.00 53 E 7.97 3.94 0.00 2.17 2.10 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 2.25 2.38 0.00 54 R 7.64 4.13 0.00 1.97 2.13 0.00 3.08 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 55 S 8.58 4.97 0.00 3.97 3.80 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 0.00 0.00 0.00 56 T 8.97 4.68 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 1.17 0.00 0.00 57 I 8.50 4.56 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.65 1.09 0.00 0.00 58 V 8.42 4.26 1.93 0.00 0.00 0.00 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 0.80 0.00 0.00 59 R 8.48 4.47 0.00 1.87 1.84 0.00 3.38 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 60 L 8.88 3.96 0.00 1.69 1.71 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.99 3.98 1.28 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 0.00 0.00 62 A 7.96 4.33 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.42 4.34 1.96 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.73 0.90 0.00 0.00 64 A 8.80 4.41 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 65 Y 7.05 4.89 0.00 3.00 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 66 I 8.42 5.06 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 1.17 0.65 0.90 0.00 0.00 67 T 9.03 4.74 4.34 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 1.37 0.00 0.00 68 P 0.00 4.80 0.00 1.99 1.98 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 69 R 8.69 4.16 0.00 1.84 1.90 0.00 3.37 0.00 0.00 3.71 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00