NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 4.0119 8.3544 109.7603 45.7385 0.0000 174.6020 0 S 4.2349 9.5745 115.2158 59.4776 63.4131 170.7445 1 M 4.8427 8.2292 118.5198 53.8300 37.1058 173.2482 2 W 5.8103 7.6952 117.8742 55.6368 32.2192 173.0331 3 I 4.9707 9.1004 114.0242 59.8421 41.5468 173.2386 4 Q 5.1972 9.1405 120.6733 54.2317 31.3158 175.2040 5 V 4.8585 9.1490 124.0677 61.2579 34.0969 174.3905 6 R 5.2142 8.7621 127.0881 54.7738 33.6463 174.2131 7 T 4.5170 8.9064 120.6235 62.1843 68.2999 174.8831 8 M 4.1137 8.9865 127.4456 58.7149 31.7129 178.3649 9 D 4.3216 8.2099 117.9724 55.7567 41.2919 178.6250 10 G 4.0915 8.2429 104.7823 46.1913 0.0000 174.5512 11 R 4.1739 7.5134 118.3530 57.7948 30.6741 176.6958 12 Q 4.6027 7.9495 116.7275 54.4053 32.8431 174.2644 13 T 5.3333 8.3543 119.6404 62.3381 72.6180 173.1082 14 H 4.9233 9.5278 122.7003 54.0567 33.2590 172.9986 15 T 4.5201 8.8036 120.1659 63.7986 69.1568 173.7091 16 V 4.4793 9.3000 127.4651 61.3523 33.7170 174.3761 17 D 5.5906 8.4808 127.9949 52.7289 42.2193 174.8482 18 S 3.7456 8.7747 110.9646 60.3266 60.3034 171.7161 19 L 4.7531 7.9840 119.0387 53.1486 44.3934 175.5994 20 S 4.9470 9.0461 112.8507 56.4815 65.5849 174.8317 21 R 3.9651 8.6366 122.9653 58.8476 29.9055 178.1250 22 L 4.4353 7.8895 116.1021 54.6527 42.2346 177.0567 23 T 3.9427 7.9866 118.0255 63.7592 69.0084 173.6918 24 K 4.7243 8.4980 125.4381 55.6625 34.2240 178.0799 25 V 3.6048 8.6871 123.9883 66.4520 31.1249 178.4859 26 E 3.9662 8.2240 116.3457 59.1838 29.2777 178.6055 27 E 3.9576 7.9948 120.1409 58.8909 29.8813 177.9033 28 L 3.9616 8.1930 120.7134 58.3064 41.9920 179.1923 29 R 3.8709 8.1741 117.8649 59.3230 29.9041 178.8883 30 R 3.9446 7.6164 117.4193 59.5312 30.2318 179.2319 31 K 4.0355 8.0927 118.0762 59.4717 32.1073 179.5690 32 I 4.0439 8.3594 113.8421 63.8939 37.3468 177.8500 33 Q 4.2359 8.4201 123.1904 58.6850 28.6180 178.5170 34 E 3.9484 7.8911 118.1154 58.8081 29.4946 178.4536 35 L 4.1630 7.3882 116.5932 55.4755 42.7234 177.8851 36 F 4.6287 8.6656 115.4853 56.2267 40.9393 175.1022 37 H 4.1968 8.1556 115.1680 57.2405 26.3770 174.8174 38 V 4.5008 7.2691 117.2567 60.7129 34.6481 174.3167 39 E 4.2476 8.5335 125.6327 55.5244 30.5523 175.9703 40 P 4.4869 0.0000 0.0000 66.0486 31.1732 179.2397 41 G 3.7216 8.1007 102.2811 46.7768 0.0000 174.4238 42 L 4.5620 7.9401 119.3524 53.7039 42.3611 176.1101 43 Q 4.3536 7.3938 119.0083 54.6420 29.7163 175.0073 44 R 4.4902 8.5360 122.4066 54.2504 32.7216 175.0141 45 L 5.0585 7.9414 123.2028 52.8179 44.8754 175.3306 46 F 5.1344 9.2825 121.8923 55.7385 42.9193 173.5710 47 Y 4.9370 9.1010 124.7693 55.7087 40.5247 175.6768 48 R 3.6601 9.5550 128.3476 57.0206 27.8315 176.7991 49 G 4.0983 8.4739 105.9701 45.5002 0.0000 174.8788 50 K 4.1683 7.7015 120.2528 55.9905 32.4511 175.8801 51 Q 4.0511 8.6267 125.9899 56.0942 29.6575 175.0083 52 M 3.7905 8.2848 127.2093 54.6535 32.6973 175.6103 53 E 4.7866 9.2830 123.2202 54.1265 32.6790 175.9240 54 D 4.5406 8.6796 121.9380 56.0596 41.4293 178.3030 55 G 4.0532 9.3709 108.9206 46.0756 0.0000 173.4263 56 H 4.9626 7.7162 115.6323 54.3314 31.0233 173.6381 57 T 5.1068 8.3468 111.6540 59.9290 72.4890 175.5385 58 L 4.0899 8.5630 121.2070 57.5766 41.4266 179.5818 59 F 4.0023 8.6154 121.3218 61.6099 39.0901 176.7449 60 D 4.2838 7.9283 116.8042 57.3916 40.7060 177.7500 61 Y 4.4573 7.3694 113.4368 57.1274 38.2943 175.3291 62 E 3.5995 7.9745 118.4636 57.0334 27.5681 174.7940 63 V 2.9742 7.4200 118.5161 62.8559 32.1515 175.7233 64 R 4.4665 8.9851 126.2420 53.8576 32.1151 175.4501 65 L 3.8115 7.9981 121.3671 56.4116 42.2582 176.3577 66 N 4.2777 8.6348 122.9540 54.0782 38.3714 173.5891 67 D 4.7492 7.8994 116.7881 55.1512 42.3345 175.0682 68 T 5.1854 8.4874 116.5154 62.2703 70.7347 174.2484 69 I 4.8136 8.6456 126.0034 59.7209 40.0557 174.6256 70 Q 5.0321 9.2631 126.1263 54.7100 30.8662 174.2706 71 L 4.9112 9.0672 125.5752 53.1504 44.7490 175.9521 72 L 4.4315 8.9337 127.6012 55.1933 42.3244 175.7932 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 8.35 4.01 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 0.00 0.00 0.00 0 S 9.57 4.23 0.00 3.97 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 0.00 1 M 8.23 4.84 0.00 2.05 1.77 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.18 0.00 2 W 7.70 5.81 0.00 3.54 3.24 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 3 I 9.10 4.97 2.06 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 1.30 1.20 0.86 0.00 0.00 4 Q 9.14 5.20 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 5 V 9.15 4.86 2.35 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 0.67 0.00 0.00 0.99 0.00 0.00 6 R 8.76 5.21 0.00 1.98 1.75 0.00 3.18 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 7 T 8.91 4.52 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 1.39 0.00 0.00 8 M 8.99 4.11 0.00 1.89 2.12 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.69 0.00 9 D 8.21 4.32 0.00 2.75 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 10 G 8.24 4.09 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 0.00 0.00 0.00 11 R 7.51 4.17 0.00 1.86 2.03 0.00 3.27 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 12 Q 7.95 4.60 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 13 T 8.35 5.33 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 1.27 0.00 0.00 14 H 9.53 4.92 0.00 2.96 3.04 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.80 4.52 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 1.27 0.00 0.00 16 V 9.30 4.48 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 1.16 0.00 0.00 1.16 0.00 0.00 17 D 8.48 5.59 0.00 2.94 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 18 S 8.77 3.75 0.00 4.07 4.01 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 19 L 7.98 4.75 0.00 1.88 1.61 0.97 0.59 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 20 S 9.05 4.95 0.00 3.75 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 21 R 8.64 3.97 0.00 2.00 2.19 0.00 3.19 0.00 0.00 3.42 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 22 L 7.89 4.44 0.00 1.61 1.66 0.84 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.99 3.94 4.30 0.00 0.00 0.00 0.00 0.00 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 24 K 8.50 4.72 0.00 1.81 1.91 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.50 7.81 25 V 8.69 3.60 2.25 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 1.09 0.00 0.00 1.20 0.00 0.00 26 E 8.22 3.97 0.00 2.20 2.36 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 2.37 2.32 0.00 27 E 7.99 3.96 0.00 2.11 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 2.39 2.44 0.00 28 L 8.19 3.96 0.00 1.79 1.84 0.94 1.23 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 29 R 8.17 3.87 0.00 2.03 1.95 0.00 3.18 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.90 0.00 30 R 7.62 3.94 0.00 2.07 2.02 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 1.67 1.71 0.00 31 K 8.09 4.04 0.00 1.99 1.90 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.48 1.64 7.81 32 I 8.36 4.04 1.78 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.95 0.98 0.00 0.00 33 Q 8.42 4.24 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 34 E 7.89 3.95 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 2.36 2.55 0.00 35 L 7.39 4.16 0.00 1.66 1.20 0.76 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.67 4.63 0.00 3.08 3.13 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 0.00 0.00 0.00 0.00 37 H 8.16 4.20 0.00 3.33 3.36 0.00 5.59 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.27 4.50 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 1.05 0.00 0.00 1.00 0.00 0.00 39 E 8.53 4.25 0.00 2.13 1.86 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 2.41 2.41 0.00 40 P 0.00 4.49 0.00 2.15 2.11 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 41 G 8.10 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.94 4.56 0.00 1.82 1.72 0.93 0.80 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 43 Q 7.39 4.35 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.54 0.00 44 R 8.54 4.49 0.00 1.82 1.56 0.00 3.11 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 45 L 7.94 5.06 0.00 1.31 1.37 0.82 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 46 F 9.28 5.13 0.00 2.88 2.88 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 47 Y 9.10 4.94 0.00 2.86 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 48 R 9.55 3.66 0.00 1.52 1.72 0.00 2.69 0.00 0.00 2.96 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.00 49 G 8.47 4.10 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 0.00 0.00 0.00 50 K 7.70 4.17 0.00 1.98 1.81 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.59 7.81 51 Q 8.63 4.05 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.89 0.00 0.00 0.00 0.00 0.00 2.07 1.88 0.00 52 M 8.28 3.79 0.00 1.46 1.65 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.46 0.00 53 E 9.28 4.79 0.00 1.81 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 2.24 2.41 0.00 54 D 8.68 4.54 0.00 2.73 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 G 9.37 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 56 H 7.72 4.96 0.00 3.67 3.01 0.00 5.77 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.35 5.11 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 58 L 8.56 4.09 0.00 1.88 1.72 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.62 4.00 0.00 3.21 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 60 D 7.93 4.28 0.00 2.63 2.37 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 61 Y 7.37 4.46 0.00 2.90 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 62 E 7.97 3.60 0.00 2.20 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 0.00 1.97 2.12 0.00 63 V 7.42 2.97 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 0.43 0.00 0.00 0.27 0.00 0.00 64 R 8.99 4.47 0.00 2.16 1.78 0.00 3.38 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 65 L 8.00 3.81 0.00 1.27 1.33 -0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.63 4.28 0.00 2.79 2.91 0.00 0.00 7.26 8.02 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 67 D 7.90 4.75 0.00 2.78 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 68 T 8.49 5.19 4.32 0.00 0.00 0.00 0.00 0.00 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 69 I 8.65 4.81 1.89 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 1.28 1.05 0.93 0.00 0.00 70 Q 9.26 5.03 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 71 L 9.07 4.91 0.00 1.43 1.41 0.79 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.93 4.43 0.00 1.89 1.72 0.93 1.19 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