NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 L 4.0538 8.1801 120.9899 56.4389 41.6734 177.2838 23 A 3.5874 8.6238 126.1776 51.1274 18.2984 173.7611 24 K 4.5737 7.6554 116.2964 56.2864 37.9697 176.8116 25 G 3.8943 9.2184 115.0147 47.7260 0.0000 174.7571 26 E 4.3918 9.2777 121.7286 56.5870 30.8027 177.4952 27 S 4.2500 7.7651 114.9626 59.9296 63.1704 173.9517 28 L 4.5029 7.3232 120.5322 52.0737 42.5736 172.7555 29 P 4.0460 0.0000 0.0000 61.3617 31.3056 174.1841 30 P 4.5226 0.0000 0.0000 61.1598 32.2999 174.4003 31 P 4.5149 0.0000 0.0000 61.3764 32.6162 175.0457 32 P 4.6703 0.0000 0.0000 62.7547 29.7746 177.7625 33 E 3.9551 7.9691 118.8314 59.8665 30.2002 178.1417 34 N 4.7301 7.3293 113.4084 51.3694 39.6624 173.0340 35 P 4.3847 0.0000 0.0000 66.3539 31.2979 177.3719 36 M 4.3139 7.6164 119.5788 53.4617 30.4903 175.6916 37 S 4.3555 7.7213 116.7532 57.3396 63.4084 174.8015 38 A 3.9727 8.5914 126.6927 55.1308 18.5046 179.3819 39 D 4.6432 8.0104 114.4929 56.3637 42.2235 178.2392 40 R 3.9943 8.1021 118.9284 59.5156 29.8216 178.4101 41 V 3.6849 7.8912 116.9892 65.9500 31.6908 178.0415 42 R 4.0937 7.4795 118.2940 59.0811 30.0039 178.7136 43 W 4.4340 8.4118 128.2411 60.6946 30.5033 177.5575 44 E 4.0366 8.5443 119.2948 59.3647 29.0311 178.1456 45 H 4.3421 8.5629 118.4329 58.7747 29.9000 177.1807 46 I 3.8970 7.9535 121.4284 64.3880 36.9402 178.2921 47 Q 4.1320 8.2822 118.7089 59.0482 28.8632 178.7943 48 R 3.9602 7.8631 117.0974 59.0323 29.2169 178.5748 49 I 3.9322 7.7369 118.8246 63.7979 38.2165 176.9821 50 Y 4.1708 8.4527 120.6056 60.6723 38.3943 178.2505 51 E 3.9434 8.5291 119.9217 59.6152 29.4792 179.1291 52 M 4.1633 7.4393 114.8763 57.7926 31.5434 177.2915 53 C 4.2942 8.4986 113.9312 56.9008 31.3071 172.2086 54 D 4.1621 8.1654 119.8244 55.7949 39.0513 173.3416 55 R 2.5100 8.0480 113.0106 56.8103 28.6483 177.6255 56 N 4.5128 7.2962 117.4056 53.0147 38.6985 175.4167 57 V 3.8562 8.3386 128.6297 65.7696 31.7306 177.9083 58 S 4.0961 8.1371 114.7880 61.5205 62.7533 175.9255 59 E 3.9467 8.6628 122.0808 59.4849 29.3311 178.8436 60 T 3.9156 8.0459 115.5114 66.8512 68.5561 176.4515 61 A 3.9804 8.2875 122.7191 55.1881 18.0933 179.6306 62 R 3.8368 8.0932 117.2856 59.1054 29.9656 178.1900 63 R 4.1190 8.1264 117.3001 57.7742 30.3262 177.2196 64 L 4.2275 7.8221 116.7884 53.5486 43.5445 175.1434 65 N 4.0671 7.6671 117.4857 53.1886 36.7821 171.5087 66 M 4.5740 8.3444 117.0326 54.3598 35.1250 174.6326 67 H 4.4321 8.3901 118.1806 55.2596 31.0473 175.6292 68 R 3.9164 8.5778 124.0613 59.8003 29.7947 179.0661 69 R 3.9114 8.0286 117.2783 59.3579 30.0792 178.9121 70 T 3.7409 7.7916 115.5565 66.5558 68.4893 176.2813 71 L 3.7580 7.7864 121.5521 58.0715 42.1228 178.5172 72 Q 3.8918 8.1732 119.5036 59.3367 29.0209 178.3101 73 R 3.8628 8.4590 119.9207 59.4307 29.8331 178.4781 74 I 3.4372 7.3568 118.7485 64.2280 37.3764 178.1317 75 L 4.2199 7.9094 119.6528 57.7322 41.2669 179.3410 76 A 4.3402 8.6351 120.4798 53.7073 18.5402 178.4587 77 K 4.2222 8.1240 114.2141 58.1461 33.0779 177.7919 78 R 4.6410 7.7305 114.4229 55.9613 30.2782 175.6289 79 S 4.7355 7.4425 113.9687 56.8951 66.8461 172.1127 80 P 4.6861 0.0000 0.0000 63.3494 31.3011 176.3801 81 R 4.1896 8.1152 125.4777 57.3661 30.0560 175.2268 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 22 L 8.18 4.05 0.00 1.75 1.74 0.92 0.17 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 23 A 8.62 3.59 1.37 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 24 K 7.66 4.57 0.00 1.76 1.70 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.41 7.81 25 G 9.22 3.89 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 0.00 0.00 0.00 26 E 9.28 4.39 0.00 2.08 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 0.00 2.21 2.31 0.00 27 S 7.77 4.25 0.00 4.01 3.96 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 28 L 7.32 4.50 0.00 1.54 1.54 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.05 0.00 2.08 2.00 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 30 P 0.00 4.52 0.00 2.16 2.05 0.00 3.51 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 31 P 0.00 4.51 0.00 2.28 2.05 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 32 P 0.00 4.67 0.00 2.23 2.25 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 33 E 7.97 3.96 0.00 1.98 2.06 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 2.43 2.28 0.00 34 N 7.33 4.73 0.00 2.79 2.75 0.00 0.00 7.03 7.90 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 35 P 0.00 4.38 0.00 2.18 2.21 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 36 M 7.62 4.31 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 37 S 7.72 4.36 0.00 3.87 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 38 A 8.59 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.01 4.64 0.00 2.69 2.69 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 0.00 40 R 8.10 3.99 0.00 1.93 2.19 0.00 3.54 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 41 V 7.89 3.68 2.12 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 0.89 0.00 0.00 1.05 0.00 0.00 42 R 7.48 4.09 0.00 2.40 1.93 0.00 3.14 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 43 W 8.41 4.43 0.00 3.47 3.02 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 44 E 8.54 4.04 0.00 2.15 2.20 0.00 0.00 0.00 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 2.33 0.00 45 H 8.56 4.34 0.00 3.50 3.44 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.95 3.90 2.63 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.86 0.86 0.00 0.00 47 Q 8.28 4.13 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.67 6.44 0.00 0.00 0.00 0.00 0.00 2.39 2.23 0.00 48 R 7.86 3.96 0.00 2.02 2.20 0.00 2.54 0.00 0.00 3.05 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.87 0.00 49 I 7.74 3.93 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 1.18 0.00 0.00 50 Y 8.45 4.17 0.00 3.43 3.17 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 51 E 8.53 3.94 0.00 2.06 1.99 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 2.66 2.49 0.00 52 M 7.44 4.16 0.00 2.28 2.20 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 2.72 0.00 53 C 8.50 4.29 0.00 3.12 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.17 4.16 0.00 2.69 2.63 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 0.00 0.00 0.00 0.00 55 R 8.05 2.51 0.00 1.74 1.78 0.00 3.22 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.23 0.00 56 N 7.30 4.51 0.00 2.92 2.72 0.00 0.00 6.86 7.59 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 57 V 8.34 3.86 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.18 0.00 0.00 58 S 8.14 4.10 0.00 4.08 3.89 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 59 E 8.66 3.95 0.00 2.09 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 0.00 2.32 2.43 0.00 60 T 8.05 3.92 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 61 A 8.29 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.09 3.84 0.00 2.05 2.07 0.00 3.12 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 63 R 8.13 4.12 0.00 2.02 2.15 0.00 3.35 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 64 L 7.82 4.23 0.00 1.87 1.65 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 65 N 7.67 4.07 0.00 2.81 2.80 0.00 0.00 6.94 7.37 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 66 M 8.34 4.57 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 67 H 8.39 4.43 0.00 3.22 3.18 0.00 5.88 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.58 3.92 0.00 1.87 1.93 0.00 3.41 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 69 R 8.03 3.91 0.00 1.85 1.95 0.00 3.35 0.00 0.00 3.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 70 T 7.79 3.74 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 1.13 0.00 0.00 71 L 7.79 3.76 0.00 1.63 1.73 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.17 3.89 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 73 R 8.46 3.86 0.00 1.95 1.82 0.00 3.17 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 74 I 7.36 3.44 1.53 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.54 -0.71 0.00 0.00 75 L 7.91 4.22 0.00 1.79 1.67 0.83 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.64 4.34 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 77 K 8.12 4.22 0.00 1.88 1.94 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.24 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.40 1.63 7.81 78 R 7.73 4.64 0.00 2.01 2.22 0.00 3.25 0.00 0.00 3.30 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 79 S 7.44 4.74 0.00 4.02 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 80 P 0.00 4.69 0.00 2.19 2.15 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 81 R 8.12 4.19 0.00 1.88 1.80 0.00 3.18 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00