NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5001 M 4.4069 8.3044 120.3261 55.4687 33.6622 176.0000 5002 E 4.1208 8.4424 125.9016 54.5042 28.0794 170.1518 5003 V 4.0320 7.4152 115.4688 59.6266 34.5803 175.3237 5004 N 4.4595 8.4039 120.0336 53.6316 39.1146 175.9917 5005 Q 4.0828 8.7177 124.7321 58.4395 29.2340 176.8943 5006 L 4.4812 8.2310 117.0427 54.6810 42.2590 178.6988 5007 G 3.5630 8.1171 108.3100 47.8105 0.0000 175.9689 5008 L 3.9935 7.9743 122.2824 57.3499 41.9973 178.7560 5009 I 3.9461 7.6212 118.8765 63.6736 37.4965 177.5572 5010 A 4.1367 8.3426 121.9502 55.5040 17.7974 179.7873 5011 T 4.0198 8.1921 113.8777 66.2516 68.7662 177.0916 5012 A 4.0930 7.6448 122.5910 55.2256 18.3865 179.6966 5013 L 3.9413 8.3709 117.7321 58.0134 41.6165 179.4523 5014 F 4.1399 7.7536 118.6217 60.9349 39.5630 175.7758 5015 V 3.9918 7.3635 115.1611 65.2185 32.1108 176.9156 5016 L 3.8554 8.4292 117.5930 58.8806 41.6759 179.8645 5017 V 3.2691 8.2031 114.2445 66.7352 31.8254 176.5379 5018 P 4.2950 0.0000 0.0000 65.9804 31.6693 178.5103 5019 S 4.0782 7.9526 112.5979 61.2488 62.2356 176.4244 5020 V 3.6258 8.7056 121.7143 65.6364 31.1729 177.4949 5021 F 4.1616 8.2528 120.5838 61.6114 39.1010 177.3043 5022 L 3.7123 7.9896 118.1774 57.6980 41.4516 179.4285 5023 I 3.6967 7.5360 119.4428 64.4799 36.9332 178.1915 5024 I 3.6403 8.1386 120.8497 64.5165 36.7415 177.9704 5025 L 3.8049 7.1525 118.2740 58.2901 41.8509 178.5533 5026 Y 4.1824 8.0443 118.8385 61.1632 38.7795 178.6057 5027 V 3.4511 8.1235 118.7552 66.0533 31.5132 178.0442 5028 Q 4.1280 8.0121 117.1915 58.4017 28.4648 178.6206 5029 T 4.0784 7.5748 118.3075 66.6848 68.4372 176.2891 5030 E 3.7728 7.7543 118.7495 59.6148 29.7908 179.2263 5031 S 4.6246 7.7392 113.2800 59.4689 62.8417 175.3098 5032 Q 4.4355 7.7891 120.6990 56.7252 28.4150 176.1075 5033 Q 4.3993 7.7849 123.0125 56.1146 29.3259 177.5493 5034 K 3.6424 8.5270 116.0026 55.3521 30.9450 177.5009 5035 S 3.9347 8.3321 112.0571 60.2000 62.4969 174.1773 5036 S 4.0750 8.7163 121.1203 58.8677 63.0519 171.0196 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 5001 M 8.30 4.41 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 5002 E 8.44 4.12 0.00 1.98 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 2.24 2.45 0.00 5003 V 7.42 4.03 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 0.72 0.00 0.00 0.93 0.00 0.00 5004 N 8.40 4.46 0.00 2.71 2.68 0.00 0.00 6.88 6.91 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 5005 Q 8.72 4.08 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 5006 L 8.23 4.48 0.00 1.72 1.67 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 5007 G 8.12 3.56 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 0.00 0.00 0.00 0.00 5008 L 7.97 3.99 0.00 1.77 1.69 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 5009 I 7.62 3.95 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.33 0.93 0.00 0.00 5010 A 8.34 4.14 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 5011 T 8.19 4.02 4.32 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 1.26 0.00 0.00 5012 A 7.64 4.09 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 5013 L 8.37 3.94 0.00 1.73 1.77 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 5014 F 7.75 4.14 0.00 3.14 3.30 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 0.00 5015 V 7.36 3.99 2.26 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 1.01 0.00 0.00 1.07 0.00 0.00 5016 L 8.43 3.86 0.00 1.75 1.66 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 5017 V 8.20 3.27 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 1.02 0.00 0.00 0.94 0.00 0.00 5018 P 0.00 4.29 0.00 2.20 2.14 0.00 3.89 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.71 0.00 5019 S 7.95 4.08 0.00 4.05 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5020 V 8.71 3.63 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 0.92 0.00 0.00 0.98 0.00 0.00 5021 F 8.25 4.16 0.00 3.15 3.25 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 5022 L 7.99 3.71 0.00 1.89 1.65 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 5023 I 7.54 3.70 1.99 0.00 0.00 0.84 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 1.12 0.93 0.00 0.00 5024 I 8.14 3.64 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.91 0.87 0.00 0.00 5025 L 7.15 3.80 0.00 1.48 1.60 0.51 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 5026 Y 8.04 4.18 0.00 3.03 3.08 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 5027 V 8.12 3.45 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 0.98 0.00 0.00 1.13 0.00 0.00 5028 Q 8.01 4.13 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.55 0.00 5029 T 7.57 4.08 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 1.07 0.00 0.00 5030 E 7.75 3.77 0.00 1.85 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 0.00 1.47 1.97 0.00 5031 S 7.74 4.62 0.00 4.05 4.15 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 5032 Q 7.79 4.44 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.45 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 5033 Q 7.78 4.40 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 5.94 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 5034 K 8.53 3.64 0.00 1.95 1.75 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.26 0.97 7.81 5035 S 8.33 3.93 0.00 3.77 3.93 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 5036 S 8.72 4.08 0.00 4.03 3.78 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