NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3502 8.1233 122.4666 51.7434 20.7404 175.2404 2 K 4.7709 8.3921 121.7242 54.1237 34.6416 173.9216 3 W 5.1007 9.4365 124.1355 54.8203 33.7424 174.3719 4 V 4.7678 9.2463 120.2159 60.0992 35.2146 174.1158 5 C 3.8928 8.8728 123.6329 58.3186 32.1952 173.6807 6 K 4.4002 8.4620 125.6651 56.5908 31.0875 177.4370 7 I 4.1336 6.9363 119.1993 62.6770 38.4278 176.4867 8 C 4.1953 7.9857 120.8044 59.7054 30.6342 175.2212 9 G 3.9111 7.9767 107.2677 45.1923 0.0000 172.5556 10 Y 4.4990 7.8035 120.9427 57.2134 40.5481 174.0987 11 I 4.7936 5.4200 120.9234 59.6056 41.5066 174.1361 12 Y 5.1075 9.0689 127.4208 56.1523 41.4911 173.9315 13 D 4.5557 8.2964 124.6132 52.2234 43.5362 175.8459 14 E 3.8440 8.4144 126.8620 58.5356 30.3038 178.1657 15 D 4.3127 8.6331 120.1913 56.7815 41.6550 177.4009 16 A 4.0911 8.1165 127.1157 52.9663 19.6920 179.6986 17 G 4.0197 8.4097 104.8025 46.6818 0.0000 174.2398 18 D 4.8708 8.3003 111.5760 52.3182 42.7956 175.7456 19 P 4.3862 0.0000 0.0000 65.7253 31.8277 178.6922 20 D 4.4667 8.2899 118.1760 56.8918 40.8146 176.5961 21 N 4.9610 7.9400 113.8707 52.7852 40.0181 174.1211 22 G 3.7972 8.1868 103.7307 46.8209 0.0000 174.2578 23 I 4.5994 8.0491 119.2222 59.2449 40.8923 176.1239 24 S 4.8806 8.5441 122.1370 56.5380 64.9749 171.1949 25 P 5.3918 0.0000 0.0000 63.3829 29.7839 173.9212 26 G 3.3734 7.8996 115.8877 45.9446 0.0000 171.8108 27 T 4.2981 7.7240 117.2851 62.4245 69.6486 174.8701 28 K 5.2443 8.0189 122.7963 54.2345 33.7478 177.0947 29 F 3.4256 8.3753 121.5938 61.4459 39.3309 176.1068 30 E 3.8856 7.8775 117.9283 56.8907 29.3975 176.6817 31 E 4.3687 7.6646 119.0499 55.8200 29.5644 175.6905 32 L 4.1419 7.2364 118.1367 51.7073 43.1557 174.6815 33 P 4.3429 0.0000 0.0000 63.1090 31.5627 177.1626 34 D 4.2595 8.6921 119.8706 57.6104 40.8338 177.2612 35 D 4.6369 7.8136 115.9143 53.7110 40.9960 176.0736 36 W 3.7778 7.9326 131.0716 57.3722 30.0992 175.5009 37 V 4.3780 6.9940 119.2976 58.6989 34.6163 174.7542 38 C 4.2120 8.0416 121.1298 59.0360 31.4640 172.8345 39 P 4.1029 0.0000 0.0000 64.5548 30.5052 176.0434 40 I 3.9699 6.6634 118.8168 62.4889 38.5416 175.9258 41 C 4.1754 8.0510 122.4671 59.5007 30.6959 175.0716 42 G 3.6061 7.9911 107.5045 45.7848 0.0000 173.0513 43 A 4.3225 7.9043 123.3076 50.0216 18.7924 176.4035 44 P 4.4946 0.0000 0.0000 62.8172 32.2153 177.7889 45 K 3.8901 8.3471 119.0387 58.9104 32.4597 179.2204 46 S 4.3714 8.1923 113.9387 60.8005 63.2722 174.6871 47 E 4.7152 9.2275 120.4947 55.9802 29.4774 174.5788 48 F 5.2879 8.4926 118.8357 56.0028 40.5488 175.4333 49 E 4.3414 9.0983 125.5741 55.9445 31.0324 175.6806 50 K 3.8558 7.9987 121.9921 54.1931 34.2948 175.6923 51 L 4.2875 7.4939 121.7177 55.2626 42.2849 174.6132 52 E 3.4316 8.1331 121.5187 56.4746 27.3693 174.3645 53 D 4.0809 8.0504 121.4703 54.6537 41.0637 174.9814 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 A 8.12 4.35 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.39 4.77 0.00 1.72 1.63 0.00 1.44 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.63 7.81 3 W 9.44 5.10 0.00 3.57 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 4 V 9.25 4.77 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 0.65 0.00 0.00 0.87 0.00 0.00 5 C 8.87 3.89 0.00 2.25 2.75 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 0.00 0.00 0.00 0.00 6 K 8.46 4.40 0.00 2.00 1.84 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.81 7.81 7 I 6.94 4.13 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.47 0.95 0.00 0.00 8 C 7.99 4.20 0.00 3.11 3.09 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 9 G 7.98 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 10 Y 7.80 4.50 0.00 3.14 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 11 I 5.42 4.79 1.59 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.44 0.86 0.00 0.00 12 Y 9.07 5.11 0.00 3.61 3.23 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 13 D 8.30 4.56 0.00 2.71 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.41 3.84 0.00 2.04 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 2.61 2.02 0.00 15 D 8.63 4.31 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.12 4.09 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.41 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 18 D 8.30 4.87 0.00 3.03 2.61 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 0.00 0.00 0.00 0.00 19 P 0.00 4.39 0.00 2.30 2.36 0.00 3.87 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 20 D 8.29 4.47 0.00 2.85 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 21 N 7.94 4.96 0.00 2.91 2.71 0.00 0.00 7.61 7.62 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 22 G 8.19 3.80 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 0.00 0.00 0.00 23 I 8.05 4.60 2.01 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.97 0.89 0.00 0.00 24 S 8.54 4.88 0.00 3.79 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 25 P 0.00 5.39 0.00 2.05 2.24 0.00 3.39 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.87 0.00 26 G 7.90 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 0.00 0.00 0.00 27 T 7.72 4.30 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 1.11 0.00 0.00 28 K 8.02 5.24 0.00 1.80 1.73 0.00 1.97 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.53 7.81 29 F 8.38 3.43 0.00 2.21 2.51 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 0.00 30 E 7.88 3.89 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 31 E 7.66 4.37 0.00 1.85 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 2.20 2.24 0.00 32 L 7.24 4.14 0.00 0.92 0.85 -0.89 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.34 0.00 2.24 2.19 0.00 3.44 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 2.31 2.06 0.00 34 D 8.69 4.26 0.00 2.63 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.81 4.64 0.00 2.60 2.61 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 0.00 0.00 0.00 0.00 36 W 7.93 3.78 0.00 3.29 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.99 4.38 1.86 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 0.62 0.00 0.00 0.68 0.00 0.00 38 C 8.04 4.21 0.00 3.57 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.10 0.00 1.84 1.94 0.00 3.75 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.91 0.00 40 I 6.66 3.97 1.82 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.30 0.90 0.00 0.00 41 C 8.05 4.18 0.00 3.10 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 42 G 7.99 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.90 4.32 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.49 0.00 2.20 1.98 0.00 3.63 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 45 K 8.35 3.89 0.00 1.63 2.19 0.00 1.15 0.00 0.00 0.81 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.35 7.81 46 S 8.19 4.37 0.00 4.10 4.13 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 47 E 9.23 4.72 0.00 2.51 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 0.00 2.37 2.52 0.00 48 F 8.49 5.29 0.00 3.45 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.10 4.34 0.00 2.14 1.77 0.00 0.00 0.00 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 2.26 0.00 50 K 8.00 3.86 0.00 1.10 0.76 0.00 1.06 0.00 0.00 1.08 0.00 0.00 2.57 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.30 0.26 7.81 51 L 7.49 4.29 0.00 1.49 1.45 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.13 3.43 0.00 2.02 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 2.12 2.14 0.00 53 D 8.05 4.08 0.00 2.45 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 0.00 0.00 0.00 0.00