NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4630 8.3049 120.3268 55.0488 33.2877 174.2515 2 K 3.9647 8.4971 119.9817 56.3604 33.2078 173.2600 3 R 3.8263 8.7563 124.5532 57.5466 30.0802 175.6657 4 T 4.3412 8.3954 111.1398 62.8124 71.1084 171.5270 5 Y 5.0071 7.7949 121.2115 56.9052 47.1913 171.4177 6 Q 3.5208 7.9318 125.8747 53.8394 29.0832 172.8459 7 P 4.0621 0.0000 0.0000 63.7337 30.6045 172.7699 8 N 3.9884 8.5752 119.7976 54.1514 36.4256 174.1453 9 N 4.9044 8.0287 123.6788 51.1213 36.6487 175.1794 10 R 4.0679 7.8504 122.5338 59.5849 31.5332 178.0131 11 K 4.6301 7.6118 116.9797 54.1423 31.8068 176.5438 12 R 4.7208 7.4616 110.1169 55.5213 32.8196 174.4832 13 A 4.7744 8.2328 119.2185 52.8052 24.0703 177.4003 14 K 4.4034 8.7893 119.9874 54.7005 33.4441 175.7556 15 T 4.5148 7.4111 112.5181 62.4729 76.2487 174.0734 16 H 5.2845 7.7745 121.3567 53.7055 29.9760 174.1209 17 G 4.1150 7.6165 107.2142 43.9978 0.0000 172.6287 18 F 3.9101 8.0596 124.0061 57.1752 39.2872 176.8734 19 R 4.4363 8.0798 124.2875 54.4386 29.6331 176.8311 20 A 4.7821 7.4890 124.6398 50.8246 20.3413 177.4706 21 R 4.6080 7.6241 114.2043 56.4591 33.8033 176.0903 22 M 4.3068 8.0348 119.8600 56.9992 33.1896 178.1904 23 K 3.9439 8.1412 117.0603 58.8954 32.5506 176.8031 24 T 4.5167 7.2341 115.4844 60.3661 69.0335 174.0611 25 K 3.8686 8.4933 125.4733 59.7087 32.4343 178.4130 26 S 4.4526 8.0379 112.0670 58.8220 62.7922 175.3895 27 G 4.0635 8.3220 108.2656 44.5430 0.0000 175.7063 28 R 3.9250 7.8298 121.6187 59.4130 29.9164 178.1038 29 N 4.4289 8.0430 115.2150 55.6848 37.6660 176.8379 30 I 3.9143 7.3918 122.3894 63.9022 36.9627 177.9463 31 L 4.0773 8.0589 120.8717 57.3996 41.3181 177.5923 32 A 4.6160 8.0649 119.9990 51.9652 18.7743 177.5043 33 R 4.3013 7.0440 118.5319 57.1250 30.7410 176.6117 34 R 4.7995 7.2220 109.0076 54.7611 31.6198 172.0999 35 R 4.3087 7.7857 126.6873 57.1079 35.9202 174.7198 36 A 4.6029 7.6067 114.5550 51.4367 19.3763 177.0053 37 K 4.2025 7.6301 120.0886 57.0239 32.9775 176.4215 38 G 3.9464 8.5693 113.4351 44.2997 0.0000 171.6526 39 R 4.2640 8.0592 122.0057 55.6668 30.2460 173.6146 40 H 4.0277 8.8566 127.9933 56.3769 31.8514 176.6137 41 Q 4.6600 7.8160 126.1353 55.5872 27.7213 179.4886 42 L 4.7747 8.5296 129.1488 55.3231 44.9701 176.0267 43 T 4.6808 8.5166 116.4741 63.9523 70.3908 174.4831 44 V 4.1092 7.9522 120.0676 62.7703 33.4630 175.4191 45 S 4.7333 7.7610 112.2198 58.9919 62.1754 172.9499 46 D 4.7417 8.1319 123.7507 53.8606 40.6978 174.4085 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 4.46 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 K 8.50 3.96 0.00 1.81 1.75 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.55 7.81 3 R 8.76 3.83 0.00 1.77 1.75 0.00 3.34 0.00 0.00 3.17 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 4 T 8.40 4.34 4.27 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 1.25 0.00 0.00 5 Y 7.79 5.01 0.00 2.73 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 7.93 3.52 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 7 P 0.00 4.06 0.00 2.07 2.05 0.00 3.77 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 8 N 8.58 3.99 0.00 2.80 2.81 0.00 0.00 6.70 7.79 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 9 N 8.03 4.90 0.00 2.82 2.82 0.00 0.00 6.34 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 10 R 7.85 4.07 0.00 1.82 2.03 0.00 3.35 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 11 K 7.61 4.63 0.00 1.77 1.82 0.00 1.87 0.00 0.00 2.30 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.34 7.81 12 R 7.46 4.72 0.00 1.82 1.74 0.00 3.30 0.00 0.00 3.29 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 13 A 8.23 4.77 1.24 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 0.00 0.00 0.00 14 K 8.79 4.40 0.00 1.75 1.80 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 15 T 7.41 4.51 4.26 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 1.22 0.00 0.00 16 H 7.77 5.28 0.00 3.11 3.12 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.62 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 0.00 0.00 0.00 18 F 8.06 3.91 0.00 3.20 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 19 R 8.08 4.44 0.00 1.82 1.91 0.00 3.46 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 20 A 7.49 4.78 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 21 R 7.62 4.61 0.00 1.78 1.99 0.00 3.37 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 22 M 8.03 4.31 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 23 K 8.14 3.94 0.00 1.76 1.87 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.54 7.81 24 T 7.23 4.52 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 1.20 0.00 0.00 25 K 8.49 3.87 0.00 1.78 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.45 7.81 26 S 8.04 4.45 0.00 3.85 3.87 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 27 G 8.32 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.83 3.93 0.00 2.11 2.20 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 29 N 8.04 4.43 0.00 2.90 2.94 0.00 0.00 6.05 7.81 0.00 0.00 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 I 7.39 3.91 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 1.56 1.64 0.90 0.00 0.00 31 L 8.06 4.08 0.00 1.79 1.91 0.98 1.26 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 32 A 8.06 4.62 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.04 4.30 0.00 1.89 2.01 0.00 3.37 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 34 R 7.22 4.80 0.00 1.75 1.80 0.00 3.02 0.00 0.00 3.76 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 35 R 7.79 4.31 0.00 1.77 1.86 0.00 3.44 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 36 A 7.61 4.60 1.27 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 37 K 7.63 4.20 0.00 1.95 1.56 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.37 7.81 38 G 8.57 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 0.00 0.00 0.00 39 R 8.06 4.26 0.00 1.84 1.81 0.00 3.37 0.00 0.00 3.16 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 40 H 8.86 4.03 0.00 3.28 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.82 4.66 0.00 2.04 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.48 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 42 L 8.53 4.77 0.00 1.65 1.63 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.52 4.68 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 1.19 0.00 0.00 44 V 7.95 4.11 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 -0.04 0.00 0.00 0.87 0.00 0.00 45 S 7.76 4.73 0.00 4.29 3.87 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 46 D 8.13 4.74 0.00 2.90 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