NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4102 8.2893 120.3251 54.8622 32.4229 172.2749 2 K 4.3032 7.8696 119.2452 53.7441 34.4577 173.8791 3 E 3.8127 8.9853 124.7023 57.1369 30.8873 179.8005 4 G 3.7877 9.2547 113.9407 45.2904 0.0000 173.1016 5 I 3.1592 8.0306 117.2915 60.1366 38.0228 173.8058 6 H 3.7101 7.2188 112.0351 56.0164 30.4037 171.5568 7 P 4.5246 0.0000 0.0000 62.2012 31.9793 176.7127 8 K 4.2409 8.3526 122.0018 56.6897 32.6085 176.9578 9 L 4.6549 7.8517 120.2217 54.3282 43.3527 177.4232 10 V 4.5280 7.6918 135.0000 61.8460 32.1290 174.3859 11 P 4.9542 0.0000 0.0000 61.4573 29.2264 178.2706 12 A 4.3956 8.2785 128.0230 52.3064 21.1339 176.3316 13 R 4.4269 8.3397 120.4327 56.0429 34.5818 173.0693 14 I 4.9960 8.3852 126.0764 59.6173 41.9553 173.8913 15 I 4.5836 8.3278 125.6631 59.8192 39.9324 173.9949 16 C 5.1215 8.4819 124.3001 54.3360 46.3808 174.5867 17 G 3.8409 9.3384 112.0020 47.3907 0.0000 171.2797 18 C 4.9600 9.4924 116.5411 54.2107 44.6022 176.3831 19 G 4.3790 7.7097 111.6477 45.4871 0.0000 173.2603 20 N 4.7621 9.4200 118.7269 50.2940 40.6024 174.8107 21 V 4.7979 7.5161 120.9365 61.3896 34.5007 169.2607 22 I 4.3304 7.6980 132.4115 63.1129 38.6453 174.4010 23 E 3.5416 9.0632 122.1965 54.8681 27.6467 177.9583 24 T 3.0687 9.6997 120.1375 64.1888 68.9396 172.9937 25 Y 3.8655 8.4823 126.6392 57.8415 37.9571 174.1535 26 S 3.3958 9.0030 114.9044 58.9202 66.7295 173.7808 27 T 4.5596 8.8909 106.9240 62.2074 72.6888 175.1103 28 K 4.3523 7.8628 120.1084 54.6572 33.0620 175.2468 29 P 4.2694 0.0000 0.0000 65.2946 31.5969 176.0222 30 E 5.5054 7.4575 110.8312 56.1999 31.2364 176.3580 31 I 4.3480 7.8961 125.8615 60.2888 39.8199 174.2425 32 Y 4.6863 8.4754 125.5453 56.7008 39.7147 174.9990 33 V 3.7494 7.9025 128.1745 62.4064 32.5619 176.1120 34 E 3.8664 8.8408 130.8963 57.4701 29.7178 179.5365 35 V 3.7861 9.0698 105.2492 61.9317 33.0611 176.5417 36 C 4.6129 8.5731 123.4696 56.5492 46.4043 170.7201 37 S 4.1262 8.8735 121.6599 59.4418 61.9188 175.3964 38 K 4.1303 5.9903 119.1326 57.5723 33.6312 175.5625 39 C 4.2136 8.4206 117.5323 58.8395 42.4647 173.0660 40 H 5.2493 9.0189 113.0813 56.1921 33.1082 172.1075 41 P 4.5429 0.0000 0.0000 62.3530 32.6294 176.1483 42 F 2.8699 9.6642 115.1153 59.9550 36.7077 173.2854 43 Y 3.2217 7.9182 128.8641 57.9427 36.5761 170.3118 44 T 5.1004 8.1336 135.0000 64.7158 71.6155 174.0552 45 G 3.8760 8.8372 107.6084 44.3923 0.0000 173.3737 46 Q 2.8967 7.7134 122.0349 56.2004 29.7751 172.8643 47 Q 4.5668 7.9669 114.4506 58.4545 30.2962 174.2396 48 R 4.0806 7.3399 121.0397 56.3105 29.4760 174.9930 49 F 4.6625 8.1303 121.2170 59.9127 40.4823 175.9893 50 V 4.4587 7.0304 121.8931 61.2947 32.0814 174.9666 51 D 4.9549 9.4257 119.2145 57.1103 40.1582 178.1413 52 T 3.4620 8.0447 107.9889 62.9288 67.0696 171.3862 53 E 3.8724 8.0394 125.6142 54.6780 31.4921 176.7472 54 G 4.2910 8.2523 107.8497 43.5211 0.0000 174.2368 55 R 4.1264 8.6712 117.4088 58.9805 30.2852 178.9850 56 V 4.4672 8.1277 117.9127 63.8983 31.1096 177.8901 57 E 3.9872 8.3028 118.9093 58.6855 29.6296 178.9689 58 R 4.2485 7.8670 113.9656 59.0937 30.0768 178.3743 59 F 4.4992 8.2910 118.9913 60.4571 39.0080 176.9059 60 Q 4.6302 8.0013 114.8078 56.5448 28.5660 176.7379 61 R 4.6521 9.1389 119.4531 55.8463 31.7635 175.6771 62 R 4.4472 7.7474 115.0259 59.0129 30.3005 177.8942 63 Y 4.2158 8.8428 119.2899 60.0228 39.0426 177.9391 64 G 3.8144 7.8936 106.4002 46.0459 0.0000 174.3053 65 D 4.4519 7.8237 119.7003 57.1381 42.0261 176.9682 66 S 4.4902 7.3428 115.2778 57.6302 62.4983 174.9622 67 Y 3.8184 7.7700 115.9937 59.5514 38.6480 177.4187 68 R 4.2314 8.3981 118.6386 58.0159 30.1598 177.3799 69 K 4.3096 7.7263 115.7326 56.1003 33.1569 176.9685 70 G 3.6231 8.1959 109.4004 47.0570 0.0000 173.7742 71 R 3.9798 8.6403 119.9469 56.5963 31.1120 175.8040 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 M 8.29 4.41 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 2 K 7.87 4.30 0.00 2.01 1.78 0.00 1.46 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.57 7.81 3 E 8.99 3.81 0.00 1.97 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 2.31 2.25 0.00 4 G 9.25 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 0.00 0.00 0.00 5 I 8.03 3.16 1.81 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 1.42 0.96 0.88 0.00 0.00 6 H 7.22 3.71 0.00 3.36 3.47 0.00 5.80 0.00 0.00 0.00 0.00 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.52 0.00 2.09 2.03 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 8 K 8.35 4.24 0.00 1.76 1.82 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.40 7.81 9 L 7.85 4.65 0.00 1.52 1.50 1.01 0.81 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 10 V 7.69 4.53 2.13 0.00 0.00 0.00 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 0.97 0.00 0.00 11 P 0.00 4.95 0.00 2.23 1.25 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 12 A 8.28 4.40 0.37 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 13 R 8.34 4.43 0.00 1.75 1.86 0.00 3.06 0.00 0.00 3.04 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.39 0.00 14 I 8.39 5.00 1.83 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 1.20 1.37 0.90 0.00 0.00 15 I 8.33 4.58 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.41 1.07 0.00 0.00 16 C 8.48 5.12 0.00 2.98 2.98 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 0.00 0.00 0.00 17 G 9.34 3.84 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 0.00 0.00 0.00 18 C 9.49 4.96 0.00 3.04 3.16 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 0.00 0.00 0.00 0.00 19 G 7.71 4.38 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 0.00 20 N 9.42 4.76 0.00 2.82 2.84 0.00 0.00 5.90 7.68 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 21 V 7.52 4.80 2.04 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 0.79 0.00 0.00 0.95 0.00 0.00 22 I 7.70 4.33 1.84 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 1.33 0.73 0.89 0.00 0.00 23 E 9.06 3.54 0.00 2.04 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 2.15 2.25 0.00 24 T 9.70 3.07 3.84 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 1.14 0.00 0.00 25 Y 8.48 3.87 0.00 3.19 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 26 S 9.00 3.40 0.00 4.09 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 27 T 8.89 4.56 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 28 K 7.86 4.35 0.00 1.77 1.78 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.43 7.81 29 P 0.00 4.27 0.00 2.17 2.18 0.00 3.82 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 1.98 1.95 0.00 30 E 7.46 5.51 0.00 1.93 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 2.03 2.03 0.00 31 I 7.90 4.35 1.88 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 1.24 0.89 0.94 0.00 0.00 32 Y 8.48 4.69 0.00 2.90 2.91 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 33 V 7.90 3.75 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 0.77 0.00 0.00 0.86 0.00 0.00 34 E 8.84 3.87 0.00 1.92 1.50 0.00 0.00 0.00 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 2.30 0.00 35 V 9.07 3.79 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 0.70 0.00 0.00 0.88 0.00 0.00 36 C 8.57 4.61 0.00 2.95 2.97 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 37 S 8.87 4.13 0.00 3.93 3.38 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 38 K 5.99 4.13 0.00 1.72 1.81 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.41 7.81 39 C 8.42 4.21 0.00 2.86 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 40 H 9.02 5.25 0.00 3.15 3.21 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.54 0.00 2.33 2.14 0.00 4.12 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.96 0.00 42 F 9.66 2.87 0.00 3.17 3.11 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 0.00 0.00 0.00 0.00 43 Y 7.92 3.22 0.00 3.15 3.04 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 0.00 0.00 0.00 0.00 44 T 8.13 5.10 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 1.33 0.00 0.00 45 G 8.84 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 46 Q 7.71 2.90 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.46 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 47 Q 7.97 4.57 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 48 R 7.34 4.08 0.00 1.71 1.78 0.00 3.29 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.98 0.00 49 F 8.13 4.66 0.00 3.04 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 50 V 7.03 4.46 2.14 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 0.85 0.00 0.00 0.99 0.00 0.00 51 D 9.43 4.95 0.00 2.81 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 52 T 8.04 3.46 4.25 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 1.24 0.00 0.00 53 E 8.04 3.87 0.00 2.04 1.96 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 2.25 2.33 0.00 54 G 8.25 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 0.00 0.00 0.00 0.00 55 R 8.67 4.13 0.00 2.50 2.43 0.00 3.22 0.00 0.00 3.47 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 56 V 8.13 4.47 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 0.78 0.00 0.00 0.97 0.00 0.00 57 E 8.30 3.99 0.00 2.01 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 0.00 2.34 2.33 0.00 58 R 7.87 4.25 0.00 2.08 2.17 0.00 2.72 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.53 0.00 59 F 8.29 4.50 0.00 3.27 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 60 Q 8.00 4.63 0.00 2.67 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 61 R 9.14 4.65 0.00 1.78 1.93 0.00 3.34 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 62 R 7.75 4.45 0.00 2.16 2.05 0.00 3.35 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.52 0.00 63 Y 8.84 4.22 0.00 2.96 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 64 G 7.89 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 0.00 0.00 0.00 65 D 7.82 4.45 0.00 2.93 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 66 S 7.34 4.49 0.00 4.13 4.02 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 67 Y 7.77 3.82 0.00 3.04 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 68 R 8.40 4.23 0.00 1.76 1.98 0.00 3.29 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 69 K 7.73 4.31 0.00 1.82 1.77 0.00 0.92 0.00 0.00 1.18 0.00 0.00 2.70 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.26 1.32 7.81 70 G 8.20 3.62 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 71 R 8.64 3.98 0.00 1.93 1.88 0.00 3.30 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00