NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6464 8.3044 120.6140 55.4373 33.4982 174.9132 2 K 4.1594 9.0371 127.7910 55.4311 32.9488 169.9249 3 V 4.1034 8.3837 113.0417 59.4991 35.3085 176.7691 4 R 3.7471 7.6423 121.5554 56.3268 29.4996 176.0911 5 A 4.5962 8.3414 118.7564 52.6002 20.1784 177.6839 6 S 4.6257 7.4568 110.7797 55.5005 62.7763 173.4794 7 V 3.2962 7.4920 120.3976 62.4116 31.7986 174.5233 8 K 3.6640 7.9062 128.6404 54.1624 33.0573 176.7861 9 K 4.3428 8.1765 121.9443 57.1867 33.4348 174.3276 10 L 4.4709 7.8585 118.6544 55.5107 49.4128 177.6663 11 C 4.5221 8.0939 118.0268 57.1127 32.2772 174.8746 12 R 4.1958 8.4359 114.3270 57.7403 29.2424 176.5486 13 N 4.7890 8.0054 115.7756 53.3146 39.0344 173.5100 14 C 4.9411 7.7885 117.2573 58.8621 29.1167 173.2479 15 K 4.0781 8.9416 126.4393 58.2786 32.8623 175.6668 16 I 3.2287 7.6108 115.0445 62.5055 32.8795 173.2047 17 V 3.8109 7.2424 121.4703 62.1059 32.7478 174.8212 18 K 4.7203 8.4105 126.7545 54.7609 32.5743 174.8872 19 R 4.5933 8.0594 124.1399 55.0487 33.0187 176.3225 20 D 4.5901 9.2143 121.5322 54.8845 39.4116 174.3147 21 G 4.1161 8.5860 113.2491 45.6906 0.0000 173.2001 22 V 3.8630 7.7322 114.6736 60.8096 31.9124 176.9919 23 I 4.2427 8.0791 129.1688 60.8257 34.8426 174.9795 24 R 4.2620 7.8774 122.1270 56.0618 32.2802 176.7479 25 V 4.6064 8.1610 118.4142 61.4553 34.9677 173.9696 26 I 4.6892 8.4145 127.0729 59.6057 41.2208 173.9444 27 C 5.8152 8.6695 124.8521 56.4171 34.2838 174.2512 28 S 4.4236 9.0440 119.2152 59.0432 62.2042 173.8350 29 A 4.4836 7.1566 121.8014 52.4166 21.3910 176.2748 30 E 4.6525 7.3134 111.2932 53.3927 32.4195 176.0597 31 P 4.3043 0.0000 0.0000 65.3249 31.6551 178.3982 32 K 4.1664 7.3359 116.7525 58.5084 31.9175 177.2875 33 H 4.6023 7.8154 115.0042 56.8733 29.3143 176.0740 34 K 4.4481 8.1109 119.5496 56.5118 29.8299 176.2863 35 Q 4.9894 7.6869 122.5214 54.6449 32.2332 175.5000 36 R 4.0321 8.0035 120.3605 57.1171 34.6290 176.4258 37 Q 3.1226 8.8649 110.6595 56.5101 27.5479 174.6055 38 G 4.0783 7.9631 112.4776 45.3160 0.0000 173.6538 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 M 8.30 4.65 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 2 K 9.04 4.16 0.00 1.87 1.65 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.52 7.81 3 V 8.38 4.10 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 0.81 0.00 0.00 0.93 0.00 0.00 4 R 7.64 3.75 0.00 1.93 1.92 0.00 3.18 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 5 A 8.34 4.60 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.46 4.63 0.00 3.80 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.49 3.30 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 8 K 7.91 3.66 0.00 1.87 1.79 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.40 7.81 9 K 8.18 4.34 0.00 1.87 1.85 0.00 1.52 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.52 7.81 10 L 7.86 4.47 0.00 1.44 1.18 0.73 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.09 4.52 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 12 R 8.44 4.20 0.00 1.95 2.09 0.00 3.01 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 13 N 8.01 4.79 0.00 2.79 2.86 0.00 0.00 7.08 7.66 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 14 C 7.79 4.94 0.00 3.06 2.87 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 0.00 0.00 0.00 15 K 8.94 4.08 0.00 1.69 1.82 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.44 7.81 16 I 7.61 3.23 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 1.28 1.23 0.95 0.00 0.00 17 V 7.24 3.81 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 0.96 0.00 0.00 0.93 0.00 0.00 18 K 8.41 4.72 0.00 1.71 1.70 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.41 7.81 19 R 8.06 4.59 0.00 2.00 1.79 0.00 3.33 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 20 D 9.21 4.59 0.00 2.82 2.53 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 0.00 21 G 8.59 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 3.86 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 0.78 0.00 0.00 1.01 0.00 0.00 23 I 8.08 4.24 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 1.41 1.15 0.91 0.00 0.00 24 R 7.88 4.26 0.00 1.94 1.88 0.00 3.15 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 25 V 8.16 4.61 2.09 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 1.11 0.00 0.00 0.93 0.00 0.00 26 I 8.41 4.69 1.88 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 1.23 0.85 0.91 0.00 0.00 27 C 8.67 5.82 0.00 3.02 2.88 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 0.00 0.00 0.00 28 S 9.04 4.42 0.00 4.01 3.95 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 29 A 7.16 4.48 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.31 4.65 0.00 1.51 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 31 P 0.00 4.30 0.00 2.16 2.08 0.00 3.57 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 32 K 7.34 4.17 0.00 1.98 1.90 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.58 7.81 33 H 7.82 4.60 0.00 3.25 3.33 0.00 5.68 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.11 4.45 0.00 1.96 1.79 0.00 1.65 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.39 7.81 35 Q 7.69 4.99 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 36 R 8.00 4.03 0.00 1.84 1.59 0.00 3.32 0.00 0.00 3.15 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 37 Q 8.86 3.12 0.00 2.13 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 38 G 7.96 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