NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2879 8.1127 121.1219 56.2732 31.7123 174.0827 5 E 4.4254 8.6002 126.3832 53.4599 30.8813 173.7472 6 C 4.1895 9.0158 126.1514 60.0226 32.9224 173.1374 7 D 4.7373 8.1047 125.1524 54.6112 38.8683 176.2472 8 Y 4.6010 7.0842 119.3025 58.9650 42.6368 176.1432 9 C 3.8411 8.1564 118.4730 59.3126 30.9643 173.9384 10 G 4.3066 8.0292 113.8472 46.4208 0.0000 173.8640 11 T 3.7822 7.4033 109.5973 58.8709 69.8473 172.0753 12 D 4.7170 8.4970 124.2003 54.4228 41.2947 176.2656 13 I 4.0544 7.7351 125.4436 60.9197 38.1965 175.6995 14 E 4.3077 8.7675 127.1533 54.5859 30.4435 174.0143 15 P 4.2079 0.0000 0.0000 65.0775 31.2429 176.3975 16 G 4.0218 10.5486 111.8032 45.3116 0.0000 172.7285 17 T 4.5032 7.6099 112.6085 63.0995 72.7646 173.5322 18 G 4.0757 8.9192 110.9913 44.8897 0.0000 172.7493 19 T 4.8094 8.4520 114.5216 61.6931 72.6671 172.9545 20 M 4.8693 8.7576 123.9939 53.7897 34.5565 174.3673 21 F 5.0121 9.1179 129.1864 56.7221 41.5024 174.7806 22 V 3.9210 8.2507 127.4157 61.6318 30.9530 175.1638 23 H 3.7338 8.8336 126.3912 55.0579 29.3115 176.6498 24 K 3.8137 8.6767 121.4005 59.9922 31.8618 177.4487 25 D 4.4043 8.0815 116.6428 56.1249 39.4195 175.8092 26 G 3.2665 7.4387 109.8822 44.4796 0.0000 173.4228 27 A 3.9340 7.9277 124.2858 53.0807 19.4508 176.6013 28 T 4.8525 8.4013 118.4795 62.2178 70.5133 174.1861 29 T 4.5710 8.6432 123.6207 62.0886 71.7669 173.3165 30 H 5.3608 9.0293 123.6607 54.8633 31.0865 174.4030 31 F 4.9188 8.9958 119.5116 55.8913 41.7799 176.1591 32 C 4.3378 9.2580 118.2349 60.1850 30.2143 172.9417 33 S 4.6482 7.6625 114.0391 56.3431 65.3807 175.3405 34 S 4.4095 8.4793 116.7690 60.2072 63.0750 176.0429 35 K 3.7902 8.1168 122.9290 59.9329 31.7329 178.1474 36 C 4.6914 7.9847 114.6657 62.0263 27.7398 175.6858 37 E 3.1261 7.7925 121.7035 58.8685 28.9991 177.9294 38 N 4.4815 8.2378 115.2684 53.7881 39.2780 176.6327 39 N 4.6523 7.6850 117.6287 56.0449 38.9121 177.1868 40 A 4.4980 7.5294 123.5121 54.5444 18.5011 179.1891 41 D 4.4729 7.7021 116.7006 56.3186 40.3142 177.5657 42 L 4.6398 7.6648 119.2715 53.9993 41.8432 178.0488 43 G 4.0834 8.0306 106.1755 45.8581 0.0000 174.9456 44 R 4.2062 7.5647 117.6027 55.8343 30.8765 175.7313 45 E 4.6117 8.4225 120.3462 54.6152 31.5412 177.1442 46 A 3.3056 7.9506 127.0538 55.2633 18.8482 179.7194 47 R 3.7310 7.7209 113.8043 59.4446 30.2885 178.0162 48 N 4.3395 8.1492 114.2901 55.4193 38.6786 175.2392 49 L 4.3349 6.8845 118.2792 53.0839 42.2076 175.9727 50 E 3.9568 8.7505 124.4824 59.0752 29.7618 179.2574 51 W 4.3951 8.3159 115.3808 59.7614 28.3995 176.5302 52 T 3.5932 6.6231 116.6684 63.2388 67.6883 174.4984 53 D 4.4217 8.8706 127.0926 57.2295 41.4361 178.0435 54 T 3.9043 7.5602 114.6090 66.7852 68.7839 175.5731 55 A 4.0066 7.9056 122.8271 54.8241 18.4093 177.4970 56 R 4.1870 7.7064 114.4695 56.2354 29.7808 175.9732 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 4 R 8.11 4.29 0.00 1.88 1.82 0.00 3.05 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 5 E 8.60 4.43 0.00 2.03 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 6 C 9.02 4.19 0.00 3.03 2.98 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 7 D 8.10 4.74 0.00 2.93 2.59 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 8 Y 7.08 4.60 0.00 2.65 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.16 3.84 0.00 3.15 3.23 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 0.00 10 G 8.03 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 0.00 0.00 0.00 11 T 7.40 3.78 4.28 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 1.27 0.00 0.00 12 D 8.50 4.72 0.00 2.60 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 4.05 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.57 0.96 0.00 0.00 14 E 8.77 4.31 0.00 2.12 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 2.39 2.38 0.00 15 P 0.00 4.21 0.00 2.22 2.10 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 16 G 10.55 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 0.00 0.00 0.00 17 T 7.61 4.50 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 18 G 8.92 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.45 4.81 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 1.25 0.00 0.00 20 M 8.76 4.87 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.40 0.00 21 F 9.12 5.01 0.00 3.18 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 3.92 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 0.80 0.00 0.00 0.90 0.00 0.00 23 H 8.83 3.73 0.00 3.09 3.13 0.00 5.72 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.68 3.81 0.00 1.69 1.87 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.52 7.81 25 D 8.08 4.40 0.00 2.80 2.78 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 26 G 7.44 3.27 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 0.00 27 A 7.93 3.93 1.14 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 0.00 0.00 28 T 8.40 4.85 4.24 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 1.22 0.00 0.00 29 T 8.64 4.57 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 30 H 9.03 5.36 0.00 3.32 3.27 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.00 4.92 0.00 2.99 3.11 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 32 C 9.26 4.34 0.00 3.15 3.14 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 33 S 7.66 4.65 0.00 4.04 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.41 0.00 4.00 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 35 K 8.12 3.79 0.00 1.83 1.93 0.00 1.55 0.00 0.00 1.80 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.52 1.42 7.81 36 C 7.98 4.69 0.00 3.36 3.37 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 37 E 7.79 3.13 0.00 1.91 1.59 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 1.47 1.49 0.00 38 N 8.24 4.48 0.00 2.64 2.80 0.00 0.00 6.99 7.95 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 39 N 7.68 4.65 0.00 3.34 3.24 0.00 0.00 6.76 8.02 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 40 A 7.53 4.50 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.70 4.47 0.00 2.60 2.66 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 0.00 0.00 0.00 0.00 42 L 7.66 4.64 0.00 1.95 1.70 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.03 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.56 4.21 0.00 2.19 1.98 0.00 3.40 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 45 E 8.42 4.61 0.00 1.95 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 46 A 7.95 3.31 0.54 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 0.00 0.00 47 R 7.72 3.73 0.00 1.72 1.90 0.00 3.15 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 48 N 8.15 4.34 0.00 2.74 2.86 0.00 0.00 7.07 8.69 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 49 L 6.88 4.33 0.00 1.04 0.95 1.02 1.01 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 50 E 8.75 3.96 0.00 2.10 2.02 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 2.39 2.32 0.00 51 W 8.32 4.40 0.00 3.56 3.27 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 52 T 6.62 3.59 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 0.93 0.00 0.00 53 D 8.87 4.42 0.00 2.63 2.86 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 54 T 7.56 3.90 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 1.08 0.00 0.00 55 A 7.91 4.01 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 56 R 7.71 4.19 0.00 1.90 1.88 0.00 3.09 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.59 0.00