NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.5882 8.3493 120.5294 54.4014 42.2643 174.7266 7 T 4.2938 7.4285 108.6539 58.9924 71.0438 172.6014 8 P 4.4557 0.0000 0.0000 62.7351 32.9442 177.2879 9 T 4.5663 8.1097 110.0159 59.5894 71.3587 173.3088 10 A 4.3598 8.2968 126.2523 51.5974 19.6785 177.6999 11 C 4.7904 8.3003 119.3378 55.0488 43.8870 174.1419 12 C 4.5507 8.2092 120.5975 55.6943 40.9487 173.6093 13 F 4.5636 8.4391 121.7225 56.9491 40.9000 175.5491 14 S 4.6452 7.7045 113.6564 56.3537 65.6771 172.6925 15 Y 5.0139 8.1359 119.5515 56.2749 39.8327 175.8131 16 T 4.1549 8.7517 118.6362 62.4237 68.0041 174.2008 17 S 4.6720 8.6243 120.5599 58.5254 64.5219 174.4210 18 R 4.3215 7.6633 116.8558 54.6250 30.8783 175.6987 19 Q 2.5200 7.6836 118.7473 54.4296 29.6812 175.4381 20 I 3.9321 6.3948 122.5337 59.0839 38.2591 174.0544 21 P 3.8467 0.0000 0.0000 62.8375 31.7650 176.7614 22 Q 3.9760 8.8788 124.0809 59.3216 29.0325 177.3105 23 N 5.0373 7.9908 112.4849 53.1290 37.5872 175.3213 24 F 5.0286 8.3228 117.8347 58.1033 40.3895 175.3468 25 I 4.4815 7.5497 122.0062 60.3938 37.5763 175.4902 26 A 4.5004 9.0349 128.0903 54.3420 19.7137 176.4239 27 A 4.6652 7.7717 115.0551 51.9630 22.6356 174.6055 28 Y 5.2704 8.0299 115.7967 55.8760 41.4680 174.8179 29 F 4.4413 8.8106 118.5961 55.7426 43.4370 174.2099 30 E 4.6528 8.7097 123.4410 56.5068 30.0809 176.9160 31 T 4.2362 8.2467 113.4357 60.8677 70.3344 174.5395 32 S 4.1730 8.7211 117.3863 58.7554 62.7784 175.5864 33 S 4.3187 8.4899 119.5100 60.6421 63.1013 175.3153 34 Q 4.1607 7.7132 119.1467 57.9937 28.8334 175.9485 35 C 4.5402 7.5297 114.8374 56.7972 40.8259 174.0685 36 S 4.2614 8.7357 116.7168 60.4638 63.1924 174.7307 37 K 4.6961 7.5848 118.2705 53.3900 34.1948 174.2877 38 P 4.5315 0.0000 0.0000 63.0720 32.1994 175.7233 39 G 4.3871 7.9854 105.3500 45.6289 0.0000 172.1194 40 V 4.8878 8.6536 120.0893 60.9644 35.2048 174.1416 41 I 4.9130 8.8582 129.1771 59.9326 39.0154 174.7142 42 F 5.0597 9.1937 126.9830 56.5132 40.8833 174.7460 43 L 5.2622 9.4401 126.4468 53.6832 43.7230 176.1990 44 T 4.8105 8.9926 118.1552 60.9038 70.3298 175.8886 45 K 4.1475 8.6368 120.4949 58.6893 32.1133 178.5802 46 R 4.4029 7.6715 116.4226 55.9875 29.9731 177.2629 47 S 4.2945 8.0218 112.8280 58.1940 61.3322 169.7128 48 R 4.0945 7.7890 120.4021 56.7290 30.9385 175.2949 49 Q 5.2075 8.7343 122.3286 54.1969 31.1087 175.1660 50 V 4.5222 8.7898 123.5301 61.2337 34.9841 173.6868 51 C 5.1710 9.0374 125.5065 56.9084 41.2458 172.5472 52 A 5.3599 9.1479 124.3139 50.1435 22.8165 174.4717 53 D 4.1817 8.2987 119.0585 52.7087 41.8345 175.9661 54 P 4.2042 0.0000 0.0000 65.0140 31.6187 177.7136 55 S 4.2376 8.8576 113.0934 60.2011 63.7114 175.4184 56 E 3.9228 7.4682 120.7578 56.4995 30.7543 177.3363 57 E 3.9099 8.9293 123.9266 59.3437 29.6379 179.2957 58 W 4.5622 8.2807 115.7872 59.0802 28.0719 178.1242 59 V 3.1879 6.8270 118.7974 65.4096 31.1150 177.7503 60 Q 3.9375 7.7908 117.7841 58.6951 28.4729 178.6527 61 K 3.8375 8.6254 121.1111 59.4949 32.1477 178.2608 62 Y 3.9729 7.7373 119.7303 60.7087 38.7348 178.1690 63 V 3.1719 7.7290 119.1327 65.8145 31.3768 177.6787 64 S 4.0001 8.3307 112.3047 61.7760 62.2867 175.7710 65 D 4.3952 8.1514 120.3494 56.8921 40.5942 178.3735 66 L 3.8108 7.6935 121.3475 57.1743 42.1442 176.8139 67 E 3.9937 7.8286 118.8246 56.9007 30.0456 175.5750 68 L 3.4182 7.4399 119.4950 61.5502 39.9576 174.8923 69 S 4.5716 7.4902 118.4309 60.6257 62.4355 172.7372 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 6 D 8.35 4.59 0.00 2.68 2.73 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 0.00 0.00 0.00 0.00 7 T 7.43 4.29 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 1.20 0.00 0.00 8 P 0.00 4.46 0.00 2.05 2.02 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 9 T 8.11 4.57 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 1.24 0.00 0.00 10 A 8.30 4.36 1.18 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 0.00 0.00 11 C 8.30 4.79 0.00 2.50 2.15 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 12 C 8.21 4.55 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.44 4.56 0.00 2.99 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 7.70 4.65 0.00 3.93 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 15 Y 8.14 5.01 0.00 3.05 2.95 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 16 T 8.75 4.15 4.39 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 1.59 0.00 0.00 17 S 8.62 4.67 0.00 4.04 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 18 R 7.66 4.32 0.00 1.80 1.89 0.00 2.99 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 19 Q 7.68 2.52 0.00 1.34 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 1.16 1.66 0.00 20 I 6.39 3.93 1.61 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 1.36 0.45 0.88 0.00 0.00 21 P 0.00 3.85 0.00 0.73 1.33 0.00 3.37 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.62 0.00 22 Q 8.88 3.98 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.14 0.00 0.00 0.00 0.00 0.00 2.59 2.90 0.00 23 N 7.99 5.04 0.00 2.95 2.91 0.00 0.00 5.90 7.43 0.00 0.00 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 F 8.32 5.03 0.00 3.14 2.99 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 0.00 0.00 0.00 25 I 7.55 4.48 1.98 0.00 0.00 -0.06 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 0.39 1.15 0.00 0.00 26 A 9.03 4.50 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.77 4.67 1.13 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 0.00 0.00 28 Y 8.03 5.27 0.00 2.30 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 29 F 8.81 4.44 0.00 2.86 2.80 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 30 E 8.71 4.65 0.00 1.82 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 2.35 2.27 0.00 31 T 8.25 4.24 4.30 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 1.16 0.00 0.00 32 S 8.72 4.17 0.00 3.84 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.32 0.00 4.02 3.98 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 0.00 0.00 0.00 34 Q 7.71 4.16 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 35 C 7.53 4.54 0.00 3.06 2.93 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 0.00 0.00 0.00 0.00 36 S 8.74 4.26 0.00 4.07 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 0.00 37 K 7.58 4.70 0.00 1.72 1.89 0.00 1.84 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.44 1.53 7.81 38 P 0.00 4.53 0.00 2.07 2.00 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 39 G 7.99 4.39 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 0.00 40 V 8.65 4.89 1.91 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 0.37 0.00 0.00 0.87 0.00 0.00 41 I 8.86 4.91 1.95 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 1.24 0.82 0.99 0.00 0.00 42 F 9.19 5.06 0.00 3.09 2.99 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 0.00 0.00 0.00 43 L 9.44 5.26 0.00 2.00 1.90 1.06 1.08 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 44 T 8.99 4.81 4.41 0.00 0.00 0.00 0.00 0.00 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 45 K 8.64 4.15 0.00 1.78 1.92 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.53 1.69 7.81 46 R 7.67 4.40 0.00 1.71 1.89 0.00 3.28 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 47 S 8.02 4.29 0.00 4.07 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 4.09 0.00 1.81 1.92 0.00 3.09 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 49 Q 8.73 5.21 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 50 V 8.79 4.52 2.32 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 1.26 0.00 0.00 1.04 0.00 0.00 51 C 9.04 5.17 0.00 3.06 3.10 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 0.00 52 A 9.15 5.36 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.30 4.18 0.00 1.63 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 0.00 0.00 0.00 0.00 54 P 0.00 4.20 0.00 2.01 2.21 0.00 3.58 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 2.00 2.08 0.00 55 S 8.86 4.24 0.00 3.88 3.91 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 56 E 7.47 3.92 0.00 1.57 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 0.00 2.24 2.29 0.00 57 E 8.93 3.91 0.00 2.05 2.03 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 2.43 2.40 0.00 58 W 8.28 4.56 0.00 3.59 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 59 V 6.83 3.19 1.82 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 0.90 0.00 0.00 -0.51 0.00 0.00 60 Q 7.79 3.94 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 61 K 8.63 3.84 0.00 1.94 2.07 0.00 1.52 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.49 1.54 7.81 62 Y 7.74 3.97 0.00 3.11 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 63 V 7.73 3.17 1.97 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 0.88 0.00 0.00 0.53 0.00 0.00 64 S 8.33 4.00 0.00 3.89 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 65 D 8.15 4.40 0.00 2.70 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 66 L 7.69 3.81 0.00 1.20 1.56 0.81 0.80 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 67 E 7.83 3.99 0.00 1.98 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 2.31 2.39 0.00 68 L 7.44 3.42 0.00 1.70 1.76 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.49 4.57 0.00 3.94 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