NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 M 4.4090 8.1627 120.3487 55.5363 34.5683 177.0686 8 R 3.3957 8.0186 118.7243 59.0818 30.0249 175.9136 9 N 4.6392 8.3307 112.4487 54.2970 39.8791 174.7534 10 E 4.4028 8.9375 120.3033 57.8941 30.5667 177.3933 11 L 4.0031 7.7879 119.2169 57.5988 41.8447 178.3232 12 E 4.1508 8.1783 118.3844 58.9946 29.4701 178.3733 13 E 4.0029 7.9505 119.0630 59.2735 29.8496 178.4274 14 M 4.1339 8.3183 118.8881 58.0529 31.8762 178.8953 15 Q 3.9261 7.7271 117.1573 59.0246 29.0165 178.7221 16 R 3.8991 7.6236 118.7522 59.2422 30.1525 179.0143 17 R 3.8687 8.6530 118.5921 59.5793 30.0513 178.4581 18 A 4.0336 8.0271 120.4759 55.0066 18.3335 179.1663 19 D 4.2429 8.2052 116.8367 57.4606 41.3385 178.2620 20 Q 3.9637 8.6081 120.5298 59.1077 29.0820 178.1570 21 L 3.9735 8.0462 119.8161 57.6051 41.5829 179.2007 22 A 3.9373 7.9362 120.6205 55.3724 18.2767 179.0326 23 D 4.3744 8.0052 117.2535 57.8633 40.9753 179.3168 24 E 3.9528 8.1999 118.4751 59.5898 29.5077 179.5751 25 S 4.1202 8.5342 115.4508 61.4397 62.8899 176.4388 26 L 3.9227 8.6080 123.3576 58.3572 41.8738 178.7388 27 E 3.9494 8.4134 118.6816 59.6037 29.4318 179.3224 28 S 4.1167 8.4724 113.6120 61.7051 62.4419 176.4216 29 T 3.9472 8.0309 112.4293 64.8486 68.0670 176.8694 30 R 3.9602 8.1216 120.9094 59.0159 30.0197 179.1957 31 R 3.8306 8.0532 118.0063 59.1976 30.1279 178.7533 32 M 4.0480 8.0375 118.6728 58.1314 31.9253 178.2342 33 L 3.9123 7.8583 120.6843 58.4491 42.1711 179.2353 34 Q 3.9858 7.6325 117.0625 58.9916 28.6190 177.7533 35 L 3.9427 8.0385 122.6512 58.1086 42.2397 179.4232 36 V 3.7764 8.3350 118.7660 64.0969 31.5264 178.0199 37 E 3.9421 8.0160 120.5602 59.1362 29.4392 178.3353 38 E 3.9587 8.8894 119.5226 59.6423 29.4774 179.5598 39 S 4.1015 7.9098 114.6587 61.4805 62.8370 176.6824 40 K 3.9561 8.0003 122.0261 59.5742 31.9223 178.6733 41 D 4.3194 8.0729 119.0178 57.2648 40.7790 178.5698 42 A 4.1330 8.3862 121.7195 54.8650 18.2594 180.0331 43 G 3.4944 8.4668 104.6845 48.0371 0.0000 175.7434 44 I 3.6668 7.8329 123.0424 64.1726 37.2034 178.1441 45 R 3.8331 8.0362 119.1242 60.0891 29.6370 178.5977 46 T 3.8191 7.9258 114.9834 66.5899 68.5304 176.4006 47 L 4.2067 8.1651 121.2072 58.0355 41.7320 179.4732 48 V 3.5493 8.3734 118.0958 66.7205 31.3779 177.8221 49 M 4.0254 8.5114 118.2083 58.5157 31.8710 178.6538 50 L 3.9703 8.7950 121.4705 57.8752 42.1762 178.6124 51 D 4.2803 8.4780 118.8956 57.3238 41.2381 178.0484 52 E 4.0031 8.1390 118.1626 59.5869 29.5203 179.0255 53 Q 4.3277 7.8193 120.5093 58.0853 28.7509 178.8832 54 G 3.6422 8.1283 106.8176 47.9068 0.0000 175.6076 55 E 4.0196 8.2044 120.9155 59.1339 29.5008 179.3495 56 Q 3.9913 8.2215 118.2688 59.0538 28.7354 178.9262 57 L 4.0925 8.0600 119.8616 57.8607 41.6501 179.2350 58 D 4.3591 8.0516 118.6848 57.6929 40.7706 179.2418 59 R 4.0638 8.1579 118.3660 59.0155 29.9853 179.4330 60 V 3.5312 7.9637 118.4422 65.9342 31.5521 177.6593 61 E 3.8769 8.8345 119.6002 59.2833 29.4578 178.2849 62 E 3.9217 8.6932 119.8369 59.3301 29.6927 179.1019 63 G 3.7486 8.2966 105.5529 47.6317 0.0000 175.3086 64 M 4.1087 7.8579 120.6405 58.5625 32.3441 178.0119 65 N 4.4241 8.3066 116.8954 56.1700 38.6708 177.1603 66 H 4.2564 8.4734 118.2419 59.0448 28.8684 177.6319 67 I 3.7071 7.7281 121.4864 64.6664 36.7562 178.0257 68 N 4.4124 7.9022 116.2684 56.4497 38.9222 176.4929 69 Q 4.0862 7.9525 120.8379 59.1715 29.3675 177.2686 70 D 4.3609 8.5228 120.2118 57.9823 40.9017 178.9481 71 M 4.2133 8.5526 118.5449 57.5696 31.8737 178.8407 72 K 4.3184 8.5291 121.2685 58.8492 32.0441 179.0755 73 E 4.0171 8.3455 118.7909 59.0067 29.3113 179.1387 74 A 4.1526 7.9100 120.4249 55.3271 18.4046 179.3835 75 E 3.9122 8.4634 117.4167 59.2251 29.4297 179.6150 76 K 3.9660 8.0585 119.6186 59.5618 32.1548 178.3331 77 N 4.2565 8.7943 116.4407 56.8256 38.7576 176.6336 78 L 3.9809 8.1871 120.0013 58.0155 41.5775 179.2610 79 K 3.8335 8.2035 118.7998 60.1296 32.0083 178.3909 80 D 4.4841 8.3042 116.8122 56.3994 40.9158 178.1250 81 L 4.3852 8.7508 121.3646 56.8853 41.5341 178.0844 82 G 3.6622 7.5560 106.1074 45.4141 0.0000 173.7343 83 K 4.1956 7.8410 125.3835 56.5881 32.5746 175.8614 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 7 M 8.16 4.41 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 8 R 8.02 3.40 0.00 1.96 1.93 0.00 3.23 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 9 N 8.33 4.64 0.00 2.75 2.85 0.00 0.00 6.71 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 E 8.94 4.40 0.00 2.07 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 0.00 2.21 2.32 0.00 11 L 7.79 4.00 0.00 1.79 1.65 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.18 4.15 0.00 2.05 1.97 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 2.42 2.45 0.00 13 E 7.95 4.00 0.00 2.03 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 2.37 2.39 0.00 14 M 8.32 4.13 0.00 2.10 2.10 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 2.73 2.58 0.00 15 Q 7.73 3.93 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.54 0.00 16 R 7.62 3.90 0.00 1.97 1.97 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 17 R 8.65 3.87 0.00 1.89 2.04 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 18 A 8.03 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.21 4.24 0.00 3.08 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 20 Q 8.61 3.96 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 21 L 8.05 3.97 0.00 1.90 1.70 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.94 3.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.01 4.37 0.00 2.90 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 24 E 8.20 3.95 0.00 2.20 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 2.33 2.52 0.00 25 S 8.53 4.12 0.00 3.98 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 26 L 8.61 3.92 0.00 1.86 1.80 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.41 3.95 0.00 2.26 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 2.33 2.47 0.00 28 S 8.47 4.12 0.00 3.92 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 29 T 8.03 3.95 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 1.23 0.00 0.00 30 R 8.12 3.96 0.00 2.07 2.02 0.00 3.24 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 31 R 8.05 3.83 0.00 2.00 1.97 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.97 0.00 32 M 8.04 4.05 0.00 2.07 2.26 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 2.84 2.55 0.00 33 L 7.86 3.91 0.00 2.00 1.75 0.92 0.62 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 34 Q 7.63 3.99 0.00 2.15 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 35 L 8.04 3.94 0.00 2.14 1.80 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.34 3.78 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 0.78 0.00 0.00 0.93 0.00 0.00 37 E 8.02 3.94 0.00 2.37 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 38 E 8.89 3.96 0.00 2.18 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 2.33 2.56 0.00 39 S 7.91 4.10 0.00 3.99 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 40 K 8.00 3.96 0.00 1.99 1.95 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 41 D 8.07 4.32 0.00 2.92 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 42 A 8.39 4.13 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 43 G 8.47 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.83 3.67 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 1.76 1.07 0.91 0.00 0.00 45 R 8.04 3.83 0.00 1.96 2.18 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 46 T 7.93 3.82 4.41 0.00 0.00 0.00 0.00 0.00 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 47 L 8.17 4.21 0.00 1.80 1.73 0.92 0.68 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 48 V 8.37 3.55 2.29 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 1.03 0.00 0.00 0.97 0.00 0.00 49 M 8.51 4.03 0.00 2.04 2.25 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 2.82 2.56 0.00 50 L 8.79 3.97 0.00 2.00 1.75 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.48 4.28 0.00 2.86 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 4.00 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 53 Q 7.82 4.33 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 54 G 8.13 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.20 4.02 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 56 Q 8.22 3.99 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 57 L 8.06 4.09 0.00 1.89 1.72 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.05 4.36 0.00 2.90 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 59 R 8.16 4.06 0.00 2.02 1.98 0.00 3.13 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 60 V 7.96 3.53 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.98 0.00 0.00 61 E 8.83 3.88 0.00 2.02 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 2.29 2.30 0.00 62 E 8.69 3.92 0.00 1.97 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 2.00 2.18 0.00 63 G 8.30 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 64 M 7.86 4.11 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 65 N 8.31 4.42 0.00 2.87 2.83 0.00 0.00 6.98 7.83 0.00 0.00 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 H 8.47 4.26 0.00 3.32 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.73 3.71 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 0.92 0.00 0.00 68 N 7.90 4.41 0.00 2.73 3.09 0.00 0.00 7.25 6.99 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 69 Q 7.95 4.09 0.00 2.40 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.49 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 70 D 8.52 4.36 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 M 8.55 4.21 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.82 0.00 72 K 8.53 4.32 0.00 1.87 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.58 7.81 73 E 8.35 4.02 0.00 2.09 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 2.32 2.46 0.00 74 A 7.91 4.15 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.46 3.91 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 76 K 8.06 3.97 0.00 1.91 1.95 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 77 N 8.79 4.26 0.00 2.71 2.89 0.00 0.00 7.14 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.19 3.98 0.00 1.85 1.71 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.20 3.83 0.00 1.83 2.03 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.52 7.81 80 D 8.30 4.48 0.00 2.80 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 81 L 8.75 4.39 0.00 1.91 1.70 0.92 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.56 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.84 4.20 0.00 1.93 1.84 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.41 7.81