NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 M 4.4264 8.2893 118.1963 54.4269 33.3524 175.6024 8 P 4.2463 0.0000 0.0000 61.9938 31.7523 173.3739 9 Q 4.7365 8.4942 119.3993 54.2441 32.4312 175.7317 10 F 4.3593 8.3962 124.1865 56.4204 42.3000 173.1138 11 N 4.6436 8.0516 126.6625 52.2754 39.3963 173.9999 12 L 4.6128 8.1482 125.4785 53.5115 43.3567 177.0075 13 R 4.4035 8.2089 119.4067 54.5670 31.9168 174.5404 14 W 5.1951 8.2513 121.5957 53.5692 32.5898 174.2583 15 P 4.4453 0.0000 0.0000 62.9629 31.6376 177.7222 16 R 3.9865 8.6906 120.4261 59.7773 29.7286 178.7869 17 E 4.1059 8.2174 117.5780 58.5850 29.4617 178.7988 18 V 3.9471 7.6755 118.0549 65.1675 31.9244 177.9221 19 L 4.3118 7.9990 118.3433 57.5768 41.5949 178.9830 20 D 4.3761 8.2928 119.1322 57.2672 40.7403 178.4965 21 L 3.9724 7.6349 119.5354 58.0509 42.0017 179.1174 22 V 3.6881 8.3111 118.6360 66.0881 31.4603 178.0285 23 R 3.9021 8.0926 117.7636 59.1920 29.9585 178.7503 24 K 3.8283 8.0021 119.1069 59.7392 32.1922 178.9269 25 V 3.4523 8.1149 118.5028 65.8341 31.3278 177.8989 26 A 3.4375 7.9870 120.8385 54.9389 18.2152 179.4651 27 E 3.9104 8.2845 117.2422 59.5238 29.2515 179.4028 28 E 3.9677 7.9607 117.8819 59.1435 29.6157 178.2367 29 N 4.7217 7.6036 113.1836 52.5586 38.8423 175.7286 30 G 3.9096 7.8708 108.2515 46.3308 0.0000 173.3904 31 M 4.8019 7.7375 118.0106 52.6516 35.1650 176.3407 32 S 4.5010 8.2064 115.3894 57.7334 65.5684 175.5106 33 V 3.6527 8.1927 121.5529 66.2242 31.4218 177.3959 34 N 4.2663 8.2350 116.2965 57.1400 38.8053 176.7678 35 S 4.2704 7.9120 115.9413 61.3795 62.9726 176.0753 36 Y 4.1693 8.4344 122.7188 60.8340 38.5683 178.0699 37 I 3.6173 8.2118 121.1125 64.4352 37.2136 177.6694 38 Y 3.9855 7.9311 119.9685 60.6871 38.4143 178.2341 39 Q 3.8136 7.9684 120.2868 59.0859 29.1027 177.9692 40 L 3.7314 7.5357 120.0086 57.6105 41.4655 179.8397 41 V 3.1760 7.5815 118.1455 66.0659 31.4680 178.0889 42 M 3.6424 7.4192 118.3562 58.3295 31.7471 178.6972 43 E 3.9616 8.1926 118.8031 59.1100 29.3787 179.4351 44 S 4.0798 7.5199 113.6833 61.3371 62.3978 176.1158 45 F 4.5457 8.2689 120.7513 60.4447 38.5223 177.8479 46 K 4.0384 8.3047 120.6285 60.2022 31.7512 180.1165 47 K 4.0207 7.9675 122.2436 59.2158 31.5389 179.6533 48 E 4.7722 7.7376 115.2389 55.2516 29.7625 176.0590 49 G 3.9792 8.4624 106.7857 46.3501 0.0000 174.3465 50 R 4.0577 8.2661 121.5397 56.3530 30.9014 177.7611 51 I 3.7071 7.6542 115.5278 61.1130 36.3416 170.6067 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 7 M 8.29 4.43 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 8 P 0.00 4.25 0.00 2.34 2.15 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 9 Q 8.49 4.74 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.73 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 10 F 8.40 4.36 0.00 3.05 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 11 N 8.05 4.64 0.00 2.59 2.50 0.00 0.00 7.13 7.78 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 12 L 8.15 4.61 0.00 1.07 0.59 0.12 0.90 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 13 R 8.21 4.40 0.00 1.80 1.88 0.00 3.16 0.00 0.00 3.31 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 14 W 8.25 5.20 0.00 3.29 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 15 P 0.00 4.45 0.00 2.22 2.11 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 16 R 8.69 3.99 0.00 1.91 1.96 0.00 3.20 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 17 E 8.22 4.11 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 18 V 7.68 3.95 2.19 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 0.99 0.00 0.00 0.90 0.00 0.00 19 L 8.00 4.31 0.00 1.85 1.77 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.29 4.38 0.00 2.82 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 21 L 7.63 3.97 0.00 1.93 1.92 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.31 3.69 2.28 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 1.33 0.00 0.00 1.27 0.00 0.00 23 R 8.09 3.90 0.00 2.12 1.98 0.00 3.21 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 24 K 8.00 3.83 0.00 1.97 1.98 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.41 1.44 7.81 25 V 8.11 3.45 1.88 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 0.75 0.00 0.00 1.00 0.00 0.00 26 A 7.99 3.44 1.33 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 0.00 0.00 27 E 8.28 3.91 0.00 2.10 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 2.30 2.61 0.00 28 E 7.96 3.97 0.00 2.06 1.96 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 2.31 2.52 0.00 29 N 7.60 4.72 0.00 2.68 2.87 0.00 0.00 7.05 8.92 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 30 G 7.87 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 0.00 0.00 0.00 31 M 7.74 4.80 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.48 0.00 32 S 8.21 4.50 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 3.65 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 1.17 0.00 0.00 0.95 0.00 0.00 34 N 8.24 4.27 0.00 2.87 2.81 0.00 0.00 7.19 7.15 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 35 S 7.91 4.27 0.00 3.98 3.94 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 36 Y 8.43 4.17 0.00 3.14 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.21 3.62 1.92 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 1.57 0.75 0.96 0.00 0.00 38 Y 7.93 3.99 0.00 3.15 3.13 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 39 Q 7.97 3.81 0.00 2.44 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 40 L 7.54 3.73 0.00 1.66 1.51 0.75 0.34 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 41 V 7.58 3.18 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.76 0.00 0.00 42 M 7.42 3.64 0.00 1.86 1.77 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 1.75 1.76 0.00 43 E 8.19 3.96 0.00 1.99 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 2.26 2.41 0.00 44 S 7.52 4.08 0.00 3.88 3.85 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 0.00 0.00 0.00 45 F 8.27 4.55 0.00 3.13 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 46 K 8.30 4.04 0.00 1.98 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.60 7.81 47 K 7.97 4.02 0.00 1.86 1.75 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.37 7.81 48 E 7.74 4.77 0.00 1.89 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 2.28 2.48 0.00 49 G 8.46 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 0.00 0.00 0.00 50 R 8.27 4.06 0.00 1.73 1.56 0.00 3.07 0.00 0.00 2.80 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 51 I 7.65 3.71 1.87 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 1.27 0.38 0.91 0.00 0.00