NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4529 8.3044 120.3256 55.1586 33.4330 175.1220 2 V 3.5600 8.3259 120.8150 63.8958 31.9307 174.7591 3 I 4.5125 7.9794 120.6798 58.9086 41.1112 173.7230 4 A 4.7383 9.9613 131.0709 50.4817 21.4792 177.4767 5 T 3.8389 8.3872 115.7275 67.0582 68.1395 176.5354 6 D 4.4150 8.1979 119.3211 57.5743 40.8618 178.0732 7 D 4.5636 8.1694 117.5366 55.5009 41.2199 176.7792 8 L 4.5642 8.1221 119.3635 55.6107 43.9675 176.3482 9 E 4.9366 8.1006 115.8376 54.3033 32.6703 175.7052 10 V 4.4667 8.4566 122.5444 60.5131 34.6538 174.5939 11 A 4.2964 8.8074 129.5078 52.4721 19.0686 176.4100 12 C 4.2904 9.0522 124.1391 58.6501 31.9151 172.9608 13 P 4.3274 0.0000 0.0000 65.4216 31.4385 177.8780 14 K 4.0321 8.2267 119.8629 59.3058 32.4420 177.0738 15 C 4.4951 8.0630 110.9878 56.9699 30.0830 173.1875 16 E 3.7886 8.7552 118.1635 57.8604 27.1103 175.8751 17 R 4.2534 8.2539 115.7225 56.3805 29.4017 176.4301 18 A 3.9893 8.3239 120.0745 56.2629 18.5023 179.3751 19 G 4.0642 9.0090 103.2360 45.1162 0.0000 172.7129 20 E 4.9732 7.5941 117.3501 54.6214 33.0149 175.6030 21 I 4.2211 9.0468 124.8485 60.3149 36.9549 175.4810 22 E 3.7773 9.6027 126.6931 57.7854 27.2194 175.5185 23 G 4.1184 7.4147 107.8634 46.5356 0.0000 175.8056 24 T 4.1692 7.8701 112.0198 59.4577 69.7859 172.1516 25 P 4.6860 0.0000 0.0000 62.7156 31.9354 175.7148 26 C 4.1671 8.7747 122.8649 59.2063 32.1973 172.4866 27 P 4.1253 0.0000 0.0000 65.8073 31.3941 178.1528 28 A 4.0730 8.1615 119.5418 55.5793 18.1838 178.6008 29 C 4.1954 7.9819 107.9693 58.9187 30.4864 173.1850 30 S 3.6527 8.1882 116.2222 59.6863 59.4310 172.4933 31 G 4.0245 8.0174 104.9060 46.0871 0.0000 174.2391 32 K 4.0797 7.7634 118.9738 56.5261 32.6982 179.5179 33 G 4.0935 8.3748 106.4650 45.3753 0.0000 172.9982 34 V 4.8061 7.4049 117.8674 61.1145 34.9161 174.6598 35 I 4.5091 8.7276 127.8563 59.7053 39.1144 175.0180 36 L 4.7510 8.5480 127.2490 54.5790 42.5540 177.0699 37 T 4.3073 8.7605 113.6523 61.0162 70.2988 175.4674 38 A 4.1001 8.8971 123.7343 55.7136 18.1034 179.6442 39 Q 4.0053 8.2442 117.4397 59.1749 29.0506 178.6225 40 G 3.5341 8.0268 106.6420 48.1051 0.0000 175.2311 41 Y 4.0421 8.0615 119.8839 60.8589 38.0141 178.7229 42 T 4.0107 8.2343 117.1212 66.8962 68.5846 176.2583 43 L 4.0758 7.7519 120.3501 57.6616 41.7943 179.1019 44 L 3.9556 8.0166 120.2619 58.3055 42.0042 178.5241 45 D 4.4145 8.9352 119.1941 57.5337 40.9427 178.3216 46 F 4.2002 8.1456 120.2891 61.7077 39.2986 177.1305 47 I 3.5228 8.6000 119.1685 64.5571 36.8071 177.9830 48 Q 3.9099 8.2296 119.3734 59.2941 28.7709 178.6167 49 K 3.9411 7.8740 119.3894 59.6982 32.4617 178.0056 50 H 4.4958 7.4096 112.9278 55.2336 29.4273 175.5852 51 L 3.9693 7.4892 123.8620 56.0014 42.4270 176.1422 52 N 4.1995 8.6343 122.6035 54.3576 36.0839 174.3081 53 K 4.1632 8.0910 121.4225 56.9787 32.9271 175.9100 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 4.45 0.00 2.00 2.06 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 2.59 0.00 2 V 8.33 3.56 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 0.92 0.00 0.00 3 I 7.98 4.51 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.06 0.89 0.00 0.00 4 A 9.96 4.74 1.23 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 0.00 0.00 5 T 8.39 3.84 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 6 D 8.20 4.41 0.00 2.62 2.76 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 D 8.17 4.56 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 4.56 0.00 1.68 1.63 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.10 4.94 0.00 1.78 1.80 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 2.15 2.21 0.00 10 V 8.46 4.47 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 0.97 0.00 0.00 0.94 0.00 0.00 11 A 8.81 4.30 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 12 C 9.05 4.29 0.00 3.03 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.22 2.18 0.00 3.83 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 1.99 1.96 0.00 14 K 8.23 4.03 0.00 1.74 1.87 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.43 7.81 15 C 8.06 4.50 0.00 3.14 3.12 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 16 E 8.76 3.79 0.00 2.04 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 2.27 2.22 0.00 17 R 8.25 4.25 0.00 1.93 2.14 0.00 3.28 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 18 A 8.32 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.01 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 20 E 7.59 4.97 0.00 1.91 1.80 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 2.20 2.30 0.00 21 I 9.05 4.22 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 1.30 1.24 0.91 0.00 0.00 22 E 9.60 3.78 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 2.22 2.29 0.00 23 G 7.41 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 24 T 7.87 4.17 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 1.21 0.00 0.00 25 P 0.00 4.69 0.00 2.20 2.11 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 26 C 8.77 4.17 0.00 2.97 2.85 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 27 P 0.00 4.13 0.00 2.22 2.07 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 28 A 8.16 4.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.98 4.20 0.00 3.11 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 30 S 8.19 3.65 0.00 4.07 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 31 G 8.02 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 32 K 7.76 4.08 0.00 2.06 1.98 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.53 7.81 33 G 8.37 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 0.00 0.00 0.00 34 V 7.40 4.81 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 0.87 0.00 0.00 1.06 0.00 0.00 35 I 8.73 4.51 1.90 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 1.26 0.81 0.97 0.00 0.00 36 L 8.55 4.75 0.00 1.12 1.19 0.37 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.76 4.31 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 1.21 0.00 0.00 38 A 8.90 4.10 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 39 Q 8.24 4.01 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 40 G 8.03 3.53 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 0.00 0.00 0.00 41 Y 8.06 4.04 0.00 3.15 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.23 4.01 4.51 0.00 0.00 0.00 0.00 0.00 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 43 L 7.75 4.08 0.00 1.66 1.76 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.02 3.96 0.00 1.84 1.68 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.94 4.41 0.00 2.91 2.81 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 0.00 0.00 0.00 0.00 46 F 8.15 4.20 0.00 3.29 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 47 I 8.60 3.52 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.78 0.92 0.00 0.00 48 Q 8.23 3.91 0.00 2.01 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 49 K 7.87 3.94 0.00 1.85 1.77 0.00 1.74 0.00 0.00 1.29 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.10 1.35 7.81 50 H 7.41 4.50 0.00 2.81 3.13 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.49 3.97 0.00 1.70 1.54 0.91 0.87 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 52 N 8.63 4.20 0.00 2.89 2.87 0.00 0.00 6.95 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.09 4.16 0.00 1.82 1.74 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.39 7.81