NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6536 8.4244 117.7956 51.9907 39.4940 173.2610 2 L 4.5180 8.0663 125.1419 52.9256 44.1339 174.2711 3 F 5.3421 9.4443 123.3041 55.5577 43.7964 173.9825 4 V 5.0440 8.9242 119.3042 59.8012 34.9305 174.6553 5 A 4.6112 8.8420 125.8384 52.1618 18.7416 178.3312 6 L 4.1619 8.8061 123.4989 56.7245 42.4110 176.5484 7 Y 4.9803 7.2450 113.6421 56.1365 42.3141 174.7260 8 D 4.9761 8.8610 120.5773 54.5862 42.0995 175.9779 9 F 5.0791 9.5324 123.8987 56.7079 43.0861 173.1498 10 V 4.3575 7.7532 125.5614 60.5772 32.7062 175.1797 11 A 4.0414 8.6442 130.4719 51.9348 19.1956 177.0916 12 S 4.4823 8.3928 115.0749 57.9406 64.6422 175.6891 13 G 3.7467 8.2303 110.7453 46.1956 0.0000 173.6642 14 D 4.3222 9.1488 116.4967 55.5641 38.2071 173.4543 15 N 4.2789 8.1658 112.2095 54.5319 36.1381 174.6552 16 T 4.9751 7.6141 107.1277 60.8865 70.2877 173.4021 17 L 4.8936 8.4639 124.0981 53.3218 44.6664 176.1922 18 S 4.7181 8.8332 122.2110 58.6816 63.6812 173.4996 19 I 5.0509 9.2462 124.0666 59.9508 41.7162 174.3460 20 T 5.1125 8.6590 119.7485 61.1814 72.1052 173.9276 21 K 4.0551 9.2065 126.5853 58.4610 32.4878 177.1888 22 G 3.9918 9.1518 115.4726 45.0326 0.0000 173.2704 23 E 4.1965 8.2486 121.7433 56.1793 30.7115 176.0662 24 K 5.1252 8.5638 125.2737 55.7994 34.0228 175.7069 25 L 4.8284 9.1430 121.8568 54.9691 44.4439 174.2365 26 R 4.9335 8.9527 119.6251 54.7657 32.5716 175.3844 27 V 4.4135 8.3887 122.9113 61.5964 32.2120 175.2476 28 L 4.4159 9.0746 127.6108 54.0104 43.1909 176.5176 29 G 3.8802 6.5388 107.0036 45.9018 0.0000 170.5246 30 Y 5.3668 8.1250 115.8496 56.0172 42.0237 175.0197 31 N 4.8613 8.9736 119.8434 51.7367 39.0821 175.6099 32 H 4.0978 9.0059 113.5839 58.6697 27.7031 175.7625 33 N 4.5399 7.7811 114.8962 51.6108 37.6789 176.2039 34 G 4.0553 8.1607 106.9790 46.0829 0.0000 174.6964 35 E 4.0691 7.8061 119.9761 57.9432 30.6540 176.8213 36 W 5.5926 8.7017 119.0782 54.8914 33.0001 174.5871 37 C 5.3329 9.6220 117.1895 56.5145 33.2002 172.6857 38 E 3.9286 8.6060 123.2079 55.4933 30.0268 175.0636 39 A 5.1179 8.6759 129.2964 50.1631 22.7125 174.7571 40 Q 4.8742 8.7742 120.3262 54.8074 32.4467 174.2712 41 T 5.0078 8.7459 117.5318 59.7870 72.0667 174.5291 42 K 4.1910 8.8561 119.0983 58.5817 32.2225 177.6012 43 N 4.6515 9.2701 115.4896 53.2879 39.8303 175.8392 44 G 3.6772 6.1894 105.6915 44.7530 0.0000 171.9953 45 Q 5.5579 8.5816 119.5063 52.2099 32.6889 174.5624 46 G 4.1237 6.8926 109.6530 44.7020 0.0000 171.6859 47 W 4.9322 8.2311 120.5634 56.6694 30.1521 176.4190 48 V 4.6185 9.2566 116.6005 58.6259 36.2736 173.1369 49 P 3.9580 0.0000 0.0000 62.4931 31.4852 177.8817 50 S 4.1393 8.8578 121.6751 61.6850 62.9687 175.7154 51 N 4.8289 8.0744 114.2603 53.7495 37.4219 174.8578 52 Y 4.6571 8.2886 117.0032 58.3975 38.6061 174.5930 53 I 5.2054 7.2153 112.9670 59.6855 41.1074 174.4821 54 T 4.7881 8.5307 114.5389 60.3438 71.0466 170.9164 55 P 3.9462 0.0000 0.0000 62.5963 31.5522 176.7307 56 V 3.6998 8.3595 120.5122 65.0514 31.5387 178.4819 57 N 5.0574 7.6788 112.8167 51.8788 39.1361 176.0722 58 S 4.3357 8.1342 120.8657 59.7742 62.9602 174.3090 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 N 8.42 4.65 0.00 2.76 2.69 0.00 0.00 6.60 6.90 0.00 0.00 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 L 8.07 4.52 0.00 1.82 1.49 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.44 5.34 0.00 3.13 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.92 5.04 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 0.74 0.00 0.00 0.96 0.00 0.00 5 A 8.84 4.61 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.81 4.16 0.00 0.48 0.57 0.73 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.24 4.98 0.00 2.48 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 8 D 8.86 4.98 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.53 5.08 0.00 3.26 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 4.36 1.91 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 0.74 0.00 0.00 0.89 0.00 0.00 11 A 8.64 4.04 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 12 S 8.39 4.48 0.00 3.82 3.79 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 0.00 0.00 0.00 0.00 13 G 8.23 3.75 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 0.00 0.00 0.00 14 D 9.15 4.32 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.17 4.28 0.00 3.17 3.02 0.00 0.00 6.73 7.05 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 16 T 7.61 4.98 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 17 L 8.46 4.89 0.00 1.80 1.64 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.83 4.72 0.00 3.82 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 19 I 9.25 5.05 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.23 1.07 0.00 0.00 20 T 8.66 5.11 4.29 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 1.28 0.00 0.00 21 K 9.21 4.06 0.00 1.72 1.78 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.47 7.81 22 G 9.15 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 4.20 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 24 K 8.56 5.13 0.00 1.70 1.74 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.44 7.81 25 L 9.14 4.83 0.00 1.74 1.74 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.95 4.93 0.00 1.71 1.87 0.00 3.32 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 27 V 8.39 4.41 1.76 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 0.25 0.00 0.00 -0.13 0.00 0.00 28 L 9.07 4.42 0.00 1.28 1.55 0.79 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 29 G 6.54 3.88 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 0.00 0.00 0.00 30 Y 8.13 5.37 0.00 3.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.97 4.86 0.00 2.70 2.53 0.00 0.00 7.08 7.69 0.00 0.00 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 H 9.01 4.10 0.00 3.30 3.51 0.00 5.51 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.78 4.54 0.00 2.86 3.01 0.00 0.00 6.17 7.63 0.00 0.00 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 G 8.16 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 35 E 7.81 4.07 0.00 1.70 1.59 0.00 0.00 0.00 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 2.19 0.00 36 W 8.70 5.59 0.00 3.10 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 37 C 9.62 5.33 0.00 2.34 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.61 3.93 0.00 1.16 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 1.79 1.89 0.00 39 A 8.68 5.12 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.77 4.87 0.00 2.02 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.43 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 41 T 8.75 5.01 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 42 K 8.86 4.19 0.00 1.78 1.91 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.47 7.81 43 N 9.27 4.65 0.00 2.74 2.87 0.00 0.00 6.94 7.04 0.00 0.00 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 G 6.19 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.58 5.56 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.18 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 46 G 6.89 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 47 W 8.23 4.93 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 9.26 4.62 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.94 0.00 0.00 49 P 0.00 3.96 0.00 1.36 1.19 0.00 2.70 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.81 0.00 50 S 8.86 4.14 0.00 3.98 4.07 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 0.00 0.00 0.00 0.00 51 N 8.07 4.83 0.00 2.93 2.96 0.00 0.00 5.97 7.55 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 52 Y 8.29 4.66 0.00 3.20 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 53 I 7.22 5.21 1.99 0.00 0.00 0.52 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 0.72 0.96 0.00 0.00 54 T 8.53 4.79 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 1.19 0.00 0.00 55 P 0.00 3.95 0.00 1.78 1.53 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.68 0.00 56 V 8.36 3.70 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.87 0.00 0.00 57 N 7.68 5.06 0.00 2.68 2.61 0.00 0.00 6.69 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.13 4.34 0.00 3.79 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