NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8945 8.3393 109.7363 45.0902 0.0000 173.3041 2 S 3.7860 8.4260 117.4961 58.0624 63.0276 172.4224 3 S 4.6894 9.2942 120.9703 55.3345 66.7809 174.9452 4 G 4.6249 7.7724 120.0155 45.9330 0.0000 172.9679 5 S 4.5398 8.2606 120.3999 56.7129 63.7014 173.2065 6 S 4.6612 8.1688 120.3511 56.2260 62.3053 174.4587 7 G 4.3669 7.6402 114.3999 43.6231 0.0000 169.7693 8 E 3.9670 8.7605 121.1251 56.8024 30.1156 176.8524 9 C 4.8672 8.3616 123.0217 57.5160 34.1691 172.6950 10 E 4.7010 8.2469 122.9070 55.4582 32.4096 174.9675 11 V 3.8995 8.2976 117.7189 65.1640 32.1392 176.1095 12 Y 4.0566 8.4465 120.1599 60.7149 38.6573 176.0167 13 D 4.4775 8.4266 119.8001 53.9900 40.8651 176.2271 14 P 4.3743 0.0000 0.0000 65.4706 31.6472 177.3996 15 N 4.2741 8.1530 114.7077 54.7495 38.5535 174.7545 16 A 4.1825 7.5362 121.4088 50.7949 17.9437 176.1680 17 L 4.6512 7.9543 121.1289 54.0010 43.3788 174.7905 18 Y 4.5647 7.2207 119.9690 58.8448 41.4601 176.0422 19 C 4.8743 8.2415 118.3706 58.7731 32.5664 175.2538 20 I 3.9644 8.7616 116.3473 63.8284 37.2479 176.7626 21 C 4.3128 8.2507 113.3195 58.0998 30.1208 173.1441 22 R 3.8780 7.8633 118.5688 57.9319 26.5035 175.9296 23 Q 4.6924 7.4513 115.3602 53.1112 33.0960 174.1491 24 P 4.5353 0.0000 0.0000 62.4091 32.0702 175.6176 25 H 4.1753 8.8261 119.1427 57.0685 29.1793 174.0576 26 N 4.9117 8.1706 123.5491 50.8824 41.4915 174.9151 27 N 4.1987 8.6097 116.0905 56.6267 38.7439 176.1095 28 R 3.9425 7.8480 114.9590 55.6936 31.0528 175.6148 29 F 4.6501 8.8382 123.2470 58.7225 40.5453 173.8054 30 M 5.7382 8.2876 124.1864 52.4665 35.6380 174.6541 31 I 4.6628 8.0388 113.6792 59.2508 41.9499 173.8546 32 C 3.5273 8.1324 118.3100 56.1575 30.3206 173.1375 33 C 4.4219 8.2891 125.0226 59.5017 31.9228 173.4849 34 D 4.7187 7.6002 121.0587 55.0409 42.3891 178.5080 35 R 4.0028 7.7426 117.7316 58.5826 30.3668 177.1462 36 C 4.3205 7.9085 110.7096 57.5916 31.1025 172.9352 37 E 4.0959 7.8556 118.7166 56.8905 26.5130 172.7242 38 E 4.5789 7.3768 116.3700 54.1896 35.0198 176.3456 39 W 4.6871 7.7724 120.0133 54.6654 31.1897 175.7695 40 F 5.3897 8.4523 121.5197 56.3316 44.0157 172.9648 41 H 5.2968 8.8400 116.7770 54.7965 29.4980 176.0815 42 G 4.5828 8.3726 113.3419 48.4411 0.0000 174.7221 43 D 4.6693 8.3063 120.7135 57.2429 40.8168 178.7983 44 C 4.1312 8.2081 114.5677 63.2755 28.2874 175.8859 45 V 3.9817 8.0062 110.9369 61.4965 31.1340 176.2536 46 G 4.3556 8.0677 112.3367 45.8673 0.0000 174.6997 47 I 3.5729 7.5545 120.3427 61.3270 37.4688 175.4068 48 S 4.8593 8.5754 120.3559 57.1189 65.7771 174.4392 49 E 3.0234 8.7218 123.3678 59.4982 29.1353 179.3853 50 A 3.7746 7.7208 119.6939 55.1407 18.4273 179.0168 51 R 3.9162 7.8553 116.1860 59.8328 30.4152 178.5320 52 G 3.8287 8.3440 105.0502 47.9221 0.0000 175.6991 53 R 3.9180 7.5993 121.3275 59.0420 30.0722 178.8945 54 L 3.9418 7.9308 118.1850 58.0349 41.7371 179.4208 55 L 4.1047 7.7727 118.3288 58.7047 41.6457 178.8083 56 E 4.2251 8.1418 119.0533 58.2089 29.2274 178.8680 57 R 4.0204 7.8254 117.3436 59.8609 29.6697 177.9916 58 N 4.4947 8.1869 117.0971 55.7145 38.8181 177.2025 59 G 4.1888 7.6349 105.9966 45.6866 0.0000 173.2318 60 E 4.5236 7.9696 117.9104 55.0017 31.6059 176.7042 61 D 4.7408 8.4668 122.1111 52.8889 41.0190 175.6819 62 Y 4.2718 8.5296 125.5742 57.8160 40.2953 175.2141 63 I 4.0204 7.7483 125.9646 57.9011 39.0804 175.1004 64 C 4.0841 7.2324 122.3637 56.6151 31.3264 173.1613 65 P 4.1829 0.0000 0.0000 66.3891 31.0045 178.0897 66 N 4.1253 7.9966 115.7776 56.9703 38.8687 175.4393 67 C 4.2257 7.9032 117.9988 62.2304 28.2701 175.4772 68 T 3.9639 7.6741 117.0082 66.3638 68.1299 176.5176 69 I 3.6484 8.0512 120.4968 64.7193 37.1445 177.9409 70 L 4.1398 7.7242 118.9055 56.2806 42.0342 177.3042 71 S 4.7448 7.4811 112.0096 55.9571 66.6327 175.8513 72 G 4.0620 8.3372 110.1983 44.7362 0.0000 171.0462 73 P 4.4351 0.0000 0.0000 61.7297 32.1715 175.4342 74 S 4.1243 8.3591 113.7748 59.0490 62.9030 173.5488 75 S 3.5688 8.6497 112.7944 61.3946 59.8571 172.8869 76 G 4.3542 8.2643 112.9624 46.1650 0.0000 173.4813 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 G 8.34 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 2 S 8.43 3.79 0.00 4.07 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.29 4.69 0.00 3.82 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 4 G 7.77 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.26 4.54 0.00 3.80 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 6 S 8.17 4.66 0.00 3.84 3.81 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 7 G 7.64 4.37 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 8 E 8.76 3.97 0.00 1.91 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 2.30 2.39 0.00 9 C 8.36 4.87 0.00 2.93 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 10 E 8.25 4.70 0.00 2.20 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 0.00 2.47 2.42 0.00 11 V 8.30 3.90 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 0.87 0.00 0.00 0.96 0.00 0.00 12 Y 8.45 4.06 0.00 3.01 3.06 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 13 D 8.43 4.48 0.00 2.78 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 14 P 0.00 4.37 0.00 2.20 2.23 0.00 3.83 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 15 N 8.15 4.27 0.00 2.72 2.90 0.00 0.00 6.84 7.35 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 16 A 7.54 4.18 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 4.65 0.00 1.53 1.55 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.22 4.56 0.00 3.11 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 19 C 8.24 4.87 0.00 2.91 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 20 I 8.76 3.96 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.78 0.97 0.00 0.00 21 C 8.25 4.31 0.00 3.17 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 22 R 7.86 3.88 0.00 2.00 2.04 0.00 3.24 0.00 0.00 3.34 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 23 Q 7.45 4.69 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 24 P 0.00 4.54 0.00 2.17 2.06 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 25 H 8.83 4.18 0.00 2.94 3.25 0.00 5.70 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.17 4.91 0.00 2.65 2.64 0.00 0.00 7.04 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.61 4.20 0.00 2.67 2.90 0.00 0.00 6.84 7.65 0.00 0.00 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 R 7.85 3.94 0.00 1.72 1.92 0.00 3.09 0.00 0.00 2.76 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 29 F 8.84 4.65 0.00 3.10 2.99 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 30 M 8.29 5.74 0.00 1.88 1.64 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 31 I 8.04 4.66 1.42 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 -0.36 0.28 0.00 0.00 32 C 8.13 3.53 0.00 2.36 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 0.00 0.00 0.00 33 C 8.29 4.42 0.00 3.17 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.60 4.72 0.00 2.50 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 35 R 7.74 4.00 0.00 1.69 1.89 0.00 3.31 0.00 0.00 3.22 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.46 0.00 36 C 7.91 4.32 0.00 3.14 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 37 E 7.86 4.10 0.00 2.03 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 0.00 2.27 2.20 0.00 38 E 7.38 4.58 0.00 1.85 1.12 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 2.25 2.52 0.00 39 W 7.77 4.69 0.00 2.87 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 F 8.45 5.39 0.00 2.99 2.90 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 0.00 0.00 0.00 0.00 41 H 8.84 5.30 0.00 3.30 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.37 4.58 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 0.00 0.00 0.00 43 D 8.31 4.67 0.00 2.84 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 44 C 8.21 4.13 0.00 3.28 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 45 V 8.01 3.98 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 1.16 0.00 0.00 46 G 8.07 4.36 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 0.00 47 I 7.55 3.57 1.91 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.18 0.98 0.00 0.00 48 S 8.58 4.86 0.00 4.04 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 49 E 8.72 3.02 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.18 0.00 50 A 7.72 3.77 1.26 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 0.00 0.00 0.00 51 R 7.86 3.92 0.00 1.82 2.15 0.00 3.50 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 52 G 8.34 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.60 3.92 0.00 1.91 1.97 0.00 3.23 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.75 0.00 54 L 7.93 3.94 0.00 1.86 1.72 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.77 4.10 0.00 1.97 1.85 1.07 0.90 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 56 E 8.14 4.23 0.00 2.27 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 2.39 2.39 0.00 57 R 7.83 4.02 0.00 1.96 2.09 0.00 3.05 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 58 N 8.19 4.49 0.00 2.89 2.96 0.00 0.00 7.42 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 59 G 7.63 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.97 4.52 0.00 1.92 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 2.31 2.45 0.00 61 D 8.47 4.74 0.00 2.53 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 62 Y 8.53 4.27 0.00 3.09 2.86 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 0.00 0.00 0.00 0.00 63 I 7.75 4.02 1.71 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.96 0.75 0.00 0.00 64 C 7.23 4.08 0.00 3.02 3.06 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 65 P 0.00 4.18 0.00 2.23 2.32 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.16 0.00 66 N 8.00 4.13 0.00 2.45 2.65 0.00 0.00 6.94 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 67 C 7.90 4.23 0.00 3.10 2.78 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 68 T 7.67 3.96 4.19 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 0.00 0.00 1.18 0.00 0.00 69 I 8.05 3.65 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.51 0.89 0.00 0.00 70 L 7.72 4.14 0.00 1.71 1.71 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.48 4.74 0.00 3.90 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 72 G 8.34 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 73 P 0.00 4.44 0.00 2.18 2.07 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 74 S 8.36 4.12 0.00 3.98 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.65 3.57 0.00 4.03 3.97 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 76 G 8.26 4.35 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 0.00