NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4950 8.1593 117.3240 62.6903 70.0017 173.4331 2 P 4.2946 0.0000 0.0000 61.9592 32.7028 174.2226 3 D 4.5560 8.8876 121.8499 55.4515 41.4203 177.2939 4 C 4.8981 8.9452 121.8400 57.8410 46.4989 174.2506 5 V 4.6411 7.2103 115.6054 60.9602 34.3142 172.9149 6 T 4.9064 8.5155 117.9093 61.3315 72.4709 174.2240 7 G 3.8172 7.7463 112.1236 45.9775 0.0000 171.7041 8 K 4.5271 8.0946 118.2720 55.2761 33.1005 177.1537 9 V 3.8296 8.0810 121.5361 62.4253 31.2311 175.6124 10 E 4.0655 8.9778 130.6017 58.9266 30.0792 176.2988 11 Y 4.8407 6.5046 113.6047 56.6531 40.3818 172.8553 12 T 5.1139 8.8389 110.3269 59.9715 72.5151 172.9911 13 K 4.4877 8.0606 122.6559 55.0880 35.8793 174.0129 14 Y 4.5942 8.6639 128.8078 56.6114 39.7900 174.6368 15 N 4.7976 8.2333 124.1271 51.6626 40.3381 175.5814 16 D 4.3819 8.6982 120.0591 57.5208 41.2807 176.8134 17 D 4.6472 7.9101 116.1120 53.2472 39.3678 176.6418 18 D 4.1308 8.0553 117.5263 55.1138 39.4559 174.1395 19 T 4.1269 7.4008 110.0583 60.9913 70.9734 173.2486 20 F 5.1290 9.0687 125.7146 56.8966 41.9068 174.2814 21 T 5.2728 8.4465 123.2195 61.9980 70.9651 174.0101 22 V 4.6853 9.2915 124.6960 59.6997 35.0945 174.1996 23 K 4.7137 8.2105 124.8395 54.6380 34.1324 175.2059 24 V 4.4588 7.9397 126.5447 61.9366 35.3330 175.2803 25 G 3.7135 8.4568 115.0812 47.1134 0.0000 173.6757 26 D 4.7430 8.6839 125.0736 53.0159 40.1570 176.2239 27 K 4.8581 7.7839 118.8507 55.0103 35.8868 175.1647 28 E 4.7595 9.4587 123.1470 55.0497 31.2964 175.1401 29 L 5.4926 8.7232 124.6971 52.7738 45.8145 175.7017 30 F 5.6112 8.9252 114.7302 55.5883 41.8634 173.5017 31 T 4.2019 9.0529 113.9654 60.0240 70.7105 173.7876 32 N 4.5116 8.3505 122.3238 52.3764 38.3186 174.6708 33 R 4.1778 7.6221 120.2160 55.4972 30.5347 177.3016 34 W 4.1677 9.0145 124.0079 59.9177 28.9034 177.8623 35 N 4.6268 8.2948 114.6439 55.0582 38.0027 176.5170 36 L 4.2637 7.8260 120.0910 56.3500 41.9638 178.8050 37 Q 3.0275 7.6090 118.5030 58.6988 28.6336 178.7411 38 S 4.0190 7.8563 113.2914 61.4960 62.5554 175.9725 39 L 3.9252 7.3808 121.6719 57.8131 41.2950 179.6005 40 L 4.3221 8.4297 119.4396 57.5666 41.5695 179.1653 41 L 4.1545 8.0646 120.4795 58.3080 42.0581 179.2305 42 S 4.1305 8.1512 114.8919 61.6302 62.8082 176.5891 43 A 4.1871 8.2439 123.2109 54.6462 18.0851 179.6435 44 Q 3.9212 8.1429 118.6255 59.4435 29.0294 178.2011 45 I 3.6932 7.7117 119.5259 64.8400 37.1722 177.4283 46 T 4.2093 8.0178 106.8701 61.2649 68.5115 174.5315 47 G 3.9561 7.8041 108.8335 47.1025 0.0000 174.3068 48 M 4.3845 8.0649 118.1938 55.4095 33.3266 176.1188 49 T 4.6329 8.3356 117.1326 62.3399 70.5139 174.5726 50 V 4.8603 8.6420 119.6902 59.7016 35.5902 174.7556 51 T 4.9016 8.3113 118.9305 61.8329 71.7547 173.0121 52 I 4.5001 8.3935 127.1720 59.4590 39.3326 174.6148 53 K 4.8322 8.1692 127.0289 55.1685 33.5362 175.8420 54 T 4.4640 8.1241 117.1969 61.4964 70.1888 173.2726 55 N 4.4513 9.0190 123.3462 55.1889 39.2676 175.9039 56 A 4.5128 7.8387 122.9395 50.7921 17.8826 174.3930 57 C 4.7411 7.8526 122.3440 53.9456 43.9797 172.0130 58 H 4.8517 7.5004 117.5211 53.5376 31.0051 173.7767 59 N 4.5559 8.7198 117.9515 55.4876 38.6113 175.8773 60 G 4.0514 9.6568 111.6684 45.1987 0.0000 173.7500 61 G 3.9559 7.6292 107.4325 45.2502 0.0000 173.3217 62 G 4.2360 8.3326 107.4793 45.5677 0.0000 172.8263 63 F 5.2154 7.3144 114.2799 55.5862 40.7104 174.4293 64 S 4.4680 8.8111 110.3529 57.4858 65.2215 173.3433 65 E 4.8279 8.2369 121.5597 54.7560 31.7383 175.0645 66 V 4.7493 8.3127 122.4367 61.2596 35.4631 174.0272 67 I 4.5032 8.4608 126.2369 59.4844 40.4024 174.3937 68 F 4.8852 9.0286 125.8888 56.1037 40.2835 176.1045 69 R 4.3429 8.7187 122.6888 56.1745 30.3126 176.4783 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 T 8.16 4.50 4.23 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 1.23 0.00 0.00 2 P 0.00 4.29 0.00 2.17 2.16 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 3 D 8.89 4.56 0.00 2.52 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.95 4.90 0.00 2.86 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.21 4.64 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 0.49 0.00 0.00 0.88 0.00 0.00 6 T 8.52 4.91 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 7 G 7.75 3.82 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 0.00 0.00 0.00 8 K 8.09 4.53 0.00 1.74 1.74 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.40 7.81 9 V 8.08 3.83 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.93 0.00 0.00 10 E 8.98 4.07 0.00 1.82 1.62 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 2.44 2.27 0.00 11 Y 6.50 4.84 0.00 3.05 3.01 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 0.00 0.00 0.00 12 T 8.84 5.11 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 1.43 0.00 0.00 13 K 8.06 4.49 0.00 1.84 1.57 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.36 7.81 14 Y 8.66 4.59 0.00 3.26 2.93 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 15 N 8.23 4.80 0.00 2.79 2.57 0.00 0.00 6.21 7.44 0.00 0.00 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 D 8.70 4.38 0.00 2.63 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 17 D 7.91 4.65 0.00 2.76 2.66 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 18 D 8.06 4.13 0.00 2.83 2.66 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 19 T 7.40 4.13 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 1.23 0.00 0.00 20 F 9.07 5.13 0.00 2.90 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 21 T 8.45 5.27 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 1.29 0.00 0.00 22 V 9.29 4.69 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 0.59 0.00 0.00 1.08 0.00 0.00 23 K 8.21 4.71 0.00 0.92 0.74 0.00 1.51 0.00 0.00 1.44 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.79 1.08 7.81 24 V 7.94 4.46 1.90 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 0.79 0.00 0.00 0.77 0.00 0.00 25 G 8.46 3.71 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 0.00 0.00 0.00 26 D 8.68 4.74 0.00 2.78 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 27 K 7.78 4.86 0.00 1.64 1.68 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.30 1.47 7.81 28 E 9.46 4.76 0.00 2.06 1.93 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 2.27 2.30 0.00 29 L 8.72 5.49 0.00 1.59 1.72 0.75 0.67 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 30 F 8.93 5.61 0.00 3.13 3.10 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 0.00 0.00 0.00 31 T 9.05 4.20 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 1.02 0.00 0.00 32 N 8.35 4.51 0.00 2.73 2.89 0.00 0.00 6.12 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 33 R 7.62 4.18 0.00 1.81 1.90 0.00 3.26 0.00 0.00 3.07 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 34 W 9.01 4.17 0.00 3.35 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.29 4.63 0.00 2.78 2.89 0.00 0.00 7.12 6.74 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 36 L 7.83 4.26 0.00 1.88 1.76 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.61 3.03 0.00 1.87 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.81 0.00 0.00 0.00 0.00 0.00 1.79 2.10 0.00 38 S 7.86 4.02 0.00 3.87 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 39 L 7.38 3.93 0.00 1.81 1.42 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.43 4.32 0.00 1.88 1.99 1.28 0.46 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 41 L 8.06 4.15 0.00 1.88 1.72 1.18 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.15 4.13 0.00 4.06 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 43 A 8.24 4.19 1.63 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 0.00 0.00 44 Q 8.14 3.92 0.00 2.37 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 45 I 7.71 3.69 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.81 0.94 0.00 0.00 46 T 8.02 4.21 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 1.29 0.00 0.00 47 G 7.80 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 0.00 0.00 0.00 48 M 8.06 4.38 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.58 0.00 49 T 8.34 4.63 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 1.18 0.00 0.00 50 V 8.64 4.86 1.69 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 0.68 0.00 0.00 0.72 0.00 0.00 51 T 8.31 4.90 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 1.20 0.00 0.00 52 I 8.39 4.50 1.52 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.41 0.18 0.00 0.00 53 K 8.17 4.83 0.00 1.62 1.93 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.29 7.81 54 T 8.12 4.46 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 1.21 0.00 0.00 55 N 9.02 4.45 0.00 2.75 2.86 0.00 0.00 6.80 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 56 A 7.84 4.51 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.85 4.74 0.00 2.90 3.01 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 0.00 0.00 0.00 58 H 7.50 4.85 0.00 3.31 3.35 0.00 5.53 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.72 4.56 0.00 2.78 2.87 0.00 0.00 7.08 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 60 G 9.66 4.05 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 0.00 0.00 0.00 61 G 7.63 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 0.00 0.00 0.00 62 G 8.33 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 0.00 0.00 0.00 0.00 63 F 7.31 5.22 0.00 2.87 2.84 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 0.00 0.00 0.00 64 S 8.81 4.47 0.00 3.88 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 65 E 8.24 4.83 0.00 1.94 1.88 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 2.32 2.29 0.00 66 V 8.31 4.75 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 -0.07 0.00 0.00 0.95 0.00 0.00 67 I 8.46 4.50 1.76 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.70 0.90 0.00 0.00 68 F 9.03 4.89 0.00 2.89 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 69 R 8.72 4.34 0.00 1.95 1.81 0.00 3.13 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00