NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7083 8.2833 119.2049 53.2190 39.8371 174.7664 2 Q 3.8195 8.7326 126.0891 58.7005 28.6693 177.4032 3 K 3.9366 8.3119 119.1964 59.4326 32.4673 178.7157 4 Q 4.0112 8.7538 120.3224 58.9526 28.9378 178.0832 5 I 3.7119 7.7755 120.6914 64.4699 37.1922 178.3620 6 A 4.0740 8.3420 121.6464 54.8002 18.1152 179.2691 7 N 4.3288 7.9558 115.9031 56.7982 39.0532 177.2312 8 Q 3.9670 8.2773 119.5085 58.8686 28.7699 178.1205 9 F 4.0911 8.4001 121.7484 61.7456 39.4016 176.6238 10 N 4.1191 8.4742 115.7313 56.4805 38.2317 177.4960 11 K 3.8497 8.0802 119.1218 59.4078 32.1549 179.0822 12 A 4.0722 7.9124 120.9072 55.3531 18.2579 179.6974 13 I 3.3815 7.5208 118.3480 64.5148 37.2736 178.2876 14 S 4.4257 7.7027 115.2077 61.0575 62.0398 176.4884 15 Q 4.0034 7.8158 120.4050 58.7768 28.4836 178.5987 16 I 3.7074 7.8184 122.3768 63.8601 37.0261 178.1593 17 Q 3.9665 8.3790 119.3427 59.3254 28.5870 179.1461 18 E 3.9506 8.0721 119.6976 59.1825 29.5580 178.9760 19 S 4.1424 8.1549 114.5144 61.1429 63.0557 176.6173 20 L 4.0777 8.0029 123.0078 57.9072 41.4214 179.5241 21 T 4.1362 7.8495 109.2973 64.8121 68.7296 176.9538 22 T 3.8599 8.0972 118.8903 66.7538 68.4818 176.7931 23 T 3.8397 7.9949 117.6264 66.6070 68.4430 176.5723 24 S 4.0982 8.4717 115.4462 61.9074 62.4780 176.4810 25 T 3.8425 7.9493 118.0165 66.6224 68.3286 176.6820 26 A 4.0561 8.0634 122.6884 54.8794 18.2397 179.8036 27 L 4.0589 8.0426 117.9622 57.8945 41.8202 179.7424 28 G 3.6432 8.2145 105.8375 47.8553 0.0000 175.8949 29 K 4.0817 8.0289 120.4094 58.8930 31.9405 179.6419 30 L 3.9093 7.9151 119.0289 57.9211 41.7329 178.9290 31 Q 3.8991 8.2753 119.8337 59.6291 28.8041 179.1367 32 D 4.2797 7.9375 119.3327 57.4254 41.0123 178.9769 33 V 3.5813 7.6762 118.6338 65.9052 31.5231 178.0967 34 V 3.6132 8.1159 118.4072 66.1957 31.3211 177.8292 35 N 4.3739 8.1556 116.0483 56.1544 38.4369 177.2455 36 Q 4.2678 8.3005 121.2745 58.6694 28.8543 179.1786 37 N 4.4279 8.7429 117.1863 55.9100 38.4580 177.5134 38 A 4.0179 8.0370 122.8709 54.9749 18.0348 179.6705 39 Q 3.9147 8.1728 116.1581 59.1844 28.6369 178.3724 40 A 4.0121 7.9912 122.8309 55.0304 18.4284 179.4210 41 L 3.8902 8.0698 118.6738 58.4465 42.3092 178.9643 42 N 4.4273 8.5961 116.8263 56.4013 38.4307 177.6514 43 T 3.9007 8.1211 117.5140 66.3374 68.4479 176.4260 44 L 3.9389 8.1236 122.4657 58.2079 42.0387 179.2421 45 V 3.5597 7.8169 118.1570 65.7099 31.2111 177.9531 46 K 3.9106 7.6717 117.8820 59.7657 32.2353 178.5518 47 Q 4.1406 7.8503 116.8308 59.0354 28.7070 178.6373 48 L 4.1534 7.9876 119.0476 57.3083 41.7144 177.8881 49 S 4.4529 8.2189 119.4540 58.7160 63.0315 173.8087 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 N 8.28 4.71 0.00 2.74 2.79 0.00 0.00 7.08 5.88 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 2 Q 8.73 3.82 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 3 K 8.31 3.94 0.00 1.94 1.87 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.50 7.81 4 Q 8.75 4.01 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 5 I 7.78 3.71 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 1.47 0.60 0.91 0.00 0.00 6 A 8.34 4.07 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 7 N 7.96 4.33 0.00 3.01 2.97 0.00 0.00 7.07 8.19 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 8 Q 8.28 3.97 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.51 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 9 F 8.40 4.09 0.00 3.19 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 N 8.47 4.12 0.00 2.96 2.88 0.00 0.00 7.13 6.59 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 11 K 8.08 3.85 0.00 2.03 1.82 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 12 A 7.91 4.07 1.25 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 0.00 0.00 13 I 7.52 3.38 1.55 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.21 0.83 0.00 0.00 14 S 7.70 4.43 0.00 3.94 3.97 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 15 Q 7.82 4.00 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 16 I 7.82 3.71 2.00 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 1.50 1.22 0.88 0.00 0.00 17 Q 8.38 3.97 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 18 E 8.07 3.95 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 2.29 2.30 0.00 19 S 8.15 4.14 0.00 4.09 4.19 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 20 L 8.00 4.08 0.00 1.88 1.74 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.85 4.14 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 1.26 0.00 0.00 22 T 8.10 3.86 4.45 0.00 0.00 0.00 0.00 0.00 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 23 T 7.99 3.84 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 1.21 0.00 0.00 24 S 8.47 4.10 0.00 3.85 3.99 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 T 7.95 3.84 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 1.21 0.00 0.00 26 A 8.06 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 4.06 0.00 1.88 1.72 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.21 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.03 4.08 0.00 1.98 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.59 7.81 30 L 7.92 3.91 0.00 1.88 1.70 0.92 0.55 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 31 Q 8.28 3.90 0.00 2.16 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 32 D 7.94 4.28 0.00 2.99 2.69 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 33 V 7.68 3.58 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 0.94 0.00 0.00 0.95 0.00 0.00 34 V 8.12 3.61 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 0.97 0.00 0.00 0.98 0.00 0.00 35 N 8.16 4.37 0.00 2.90 2.84 0.00 0.00 7.03 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 36 Q 8.30 4.27 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 37 N 8.74 4.43 0.00 2.68 2.86 0.00 0.00 6.97 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.04 4.02 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 39 Q 8.17 3.91 0.00 2.36 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.68 0.00 40 A 7.99 4.01 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 41 L 8.07 3.89 0.00 1.82 1.88 0.92 0.55 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 42 N 8.60 4.43 0.00 2.80 2.85 0.00 0.00 7.05 6.71 0.00 0.00 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 8.12 3.90 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 1.21 0.00 0.00 44 L 8.12 3.94 0.00 1.86 1.83 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.82 3.56 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 1.03 0.00 0.00 1.01 0.00 0.00 46 K 7.67 3.91 0.00 1.95 2.05 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 47 Q 7.85 4.14 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 48 L 7.99 4.15 0.00 1.82 1.73 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.22 4.45 0.00 4.06 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