NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.2832 7.8827 121.0511 60.9648 39.9454 173.5424 2 V 4.4895 8.7819 129.4679 61.2832 33.1713 172.5594 3 C 5.2916 9.7984 126.0393 55.3063 44.4934 172.9066 4 H 5.0321 9.2860 119.3791 56.1521 29.4484 174.8714 5 T 4.7574 8.9624 115.2319 60.7868 70.4988 173.8546 6 T 4.6979 8.5754 117.0159 61.6659 69.7075 176.0759 7 A 4.0983 8.2832 125.3802 53.9215 18.7730 178.0014 8 T 4.6814 7.1477 105.6547 59.5252 71.5298 173.7344 9 S 4.4412 8.3074 116.4002 55.6577 64.5403 172.0381 10 P 4.5152 0.0000 0.0000 62.0692 31.9206 175.8262 11 I 4.2349 8.0575 119.5865 62.0786 37.6695 175.5477 12 S 4.8222 8.7432 118.8629 56.9658 67.2935 171.9968 13 A 5.1660 8.4926 121.1472 50.3528 20.7096 176.5301 14 V 4.5241 8.7344 114.6578 59.5401 36.6248 175.1394 15 T 4.3113 8.4684 120.1495 63.4121 68.7606 175.3572 16 C 4.4658 8.8853 125.4719 56.4365 39.6374 172.5182 17 P 4.5410 0.0000 0.0000 61.1670 31.9142 173.9646 18 P 4.5029 0.0000 0.0000 64.2683 31.7374 175.3143 19 G 4.0892 9.1990 110.4579 45.7576 0.0000 172.8590 20 E 4.6084 7.8554 120.0367 55.4855 28.9818 175.5851 21 N 5.0306 8.7271 120.2831 52.3194 38.8155 174.2172 22 L 5.0903 8.3581 119.9563 53.3697 45.5639 175.0348 23 C 5.4539 8.8038 118.9354 58.2943 31.4657 172.6407 24 Y 5.4018 8.5161 119.3643 55.5093 42.1392 174.0309 25 R 5.0570 9.1301 119.7368 54.8662 33.6411 173.6703 26 K 5.4861 9.7039 126.0432 55.1443 35.4577 175.2149 27 M 5.8315 9.6672 123.0148 53.0678 36.7945 174.0711 28 W 5.4331 7.9266 117.3265 55.8394 31.7751 173.6792 29 C 4.9945 9.0928 118.9256 56.3440 35.7439 172.9885 30 D 5.2181 8.2608 122.9555 51.4779 41.7333 176.4260 31 V 3.5116 8.3241 117.0806 64.6381 31.3785 176.5284 32 F 4.7918 8.5433 119.1192 57.3823 39.2529 176.5460 33 C 4.4731 8.5258 123.3736 59.0603 43.4159 176.1423 34 S 3.9937 8.2358 112.5002 60.6150 62.6792 174.9089 35 S 4.5587 8.1951 113.4492 59.7256 64.0288 175.2167 36 R 4.1018 8.3421 117.7606 55.2264 30.2978 177.3259 37 G 3.8602 8.1651 107.3145 44.1103 0.0000 172.8339 38 K 4.2969 8.0947 117.2653 55.9454 32.9418 177.8307 39 V 3.4659 8.5214 123.5510 62.8419 32.6375 174.8703 40 V 4.6412 7.9423 126.3151 60.9368 33.9286 174.0285 41 E 4.7977 9.3966 128.7711 54.4135 32.6767 174.3030 42 L 4.8259 8.7506 126.5843 53.1033 45.9468 176.5143 43 G 3.9763 6.7599 106.2015 46.7309 0.0000 171.8287 44 C 5.3857 8.7923 116.7139 58.8696 30.4274 173.3494 45 A 4.5962 8.5652 120.1371 51.4481 22.1365 177.7050 46 A 4.2977 9.0952 123.5314 53.9488 19.0585 178.4516 47 T 4.6497 7.3701 103.0718 59.3535 71.8682 174.0849 48 C 4.0102 8.9338 123.2857 56.3838 43.9080 171.8435 49 P 4.3279 0.0000 0.0000 62.3301 31.4979 176.3607 50 S 4.0693 8.4116 117.4236 58.8863 63.3236 173.7645 51 K 4.3255 8.2695 124.8931 54.8650 33.7319 175.4387 52 K 4.4797 7.3105 123.2172 53.5870 34.7097 175.7428 53 P 4.2572 0.0000 0.0000 65.4478 31.1976 177.3185 54 Y 4.7977 7.7082 113.2834 56.4577 38.2219 174.5963 55 E 4.8648 7.6020 118.8516 54.8783 33.0263 175.3531 56 E 4.5885 9.2039 122.8343 54.6178 32.4949 174.4431 57 V 5.1436 8.5398 126.9715 61.2322 34.3489 174.6296 58 T 4.8235 8.9816 117.1887 60.1560 71.8724 172.2231 59 C 5.7824 8.6583 120.5164 55.8440 44.6319 171.3885 60 C 4.8236 8.6698 114.0508 55.1519 45.1127 174.3000 61 S 4.6012 8.5949 111.7281 58.3687 63.7671 174.1710 62 T 4.6259 7.5204 117.1547 61.2800 70.3362 173.6946 63 D 4.5214 8.5472 123.4358 56.1316 41.4126 177.1658 64 K 3.4934 9.3548 124.6840 57.6150 30.2630 173.8148 65 C 4.7342 7.9124 110.7147 55.5856 42.4617 173.2560 66 N 4.9620 7.6752 116.3492 51.6243 36.7854 171.7229 67 P 4.2177 0.0000 0.0000 62.5813 33.1191 175.7086 68 H 4.0953 8.4122 118.1819 55.5117 30.0706 174.0627 69 P 4.2491 0.0000 0.0000 65.5159 30.8603 176.9608 70 K 4.4165 8.1662 115.8959 56.2813 32.3611 176.0195 71 Q 4.7034 8.1107 118.0691 53.5270 32.1277 175.5969 72 R 4.0620 8.3780 119.9025 55.5961 30.7238 175.2094 73 P 4.5494 0.0000 0.0000 62.7322 32.5493 176.5168 74 G 4.0276 8.9878 107.6817 45.9150 0.0000 173.5399 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 I 7.88 4.28 1.88 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 1.23 1.67 0.94 0.00 0.00 2 V 8.78 4.49 2.05 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 0.82 0.00 0.00 0.91 0.00 0.00 3 C 9.80 5.29 0.00 2.82 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.29 5.03 0.00 3.24 3.18 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.96 4.76 4.21 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 1.24 0.00 0.00 6 T 8.58 4.70 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 1.20 0.00 0.00 7 A 8.28 4.10 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.15 4.68 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 1.21 0.00 0.00 9 S 8.31 4.44 0.00 3.78 3.74 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 0.00 0.00 0.00 0.00 10 P 0.00 4.52 0.00 2.20 2.04 0.00 3.82 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 11 I 8.06 4.23 1.85 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 1.39 0.52 0.95 0.00 0.00 12 S 8.74 4.82 0.00 3.78 3.92 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 0.00 0.00 0.00 13 A 8.49 5.17 1.14 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 0.00 0.00 14 V 8.73 4.52 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 0.73 0.00 0.00 0.92 0.00 0.00 15 T 8.47 4.31 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 1.21 0.00 0.00 16 C 8.89 4.47 0.00 3.19 3.18 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 17 P 0.00 4.54 0.00 2.19 1.99 0.00 3.83 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 2.13 2.11 0.00 18 P 0.00 4.50 0.00 2.04 2.00 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 19 G 9.20 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 20 E 7.86 4.61 0.00 2.14 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 2.34 2.26 0.00 21 N 8.73 5.03 0.00 2.69 2.89 0.00 0.00 6.10 7.79 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 22 L 8.36 5.09 0.00 1.76 1.63 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.80 5.45 0.00 2.87 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 24 Y 8.52 5.40 0.00 3.14 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 25 R 9.13 5.06 0.00 1.86 1.80 0.00 3.00 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 26 K 9.70 5.49 0.00 2.12 2.12 0.00 1.55 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.45 1.65 7.81 27 M 9.67 5.83 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.26 0.00 28 W 7.93 5.43 0.00 3.75 3.36 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 29 C 9.09 4.99 0.00 3.00 3.12 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 0.00 30 D 8.26 5.22 0.00 2.91 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 31 V 8.32 3.51 1.83 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 -0.22 0.00 0.00 0.61 0.00 0.00 32 F 8.54 4.79 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 33 C 8.53 4.47 0.00 3.19 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 34 S 8.24 3.99 0.00 4.03 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 35 S 8.20 4.56 0.00 4.01 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 36 R 8.34 4.10 0.00 1.81 1.97 0.00 3.08 0.00 0.00 3.05 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 37 G 8.17 3.86 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 0.00 0.00 0.00 38 K 8.09 4.30 0.00 1.57 1.83 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.43 7.81 39 V 8.52 3.47 0.67 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 0.17 0.00 0.00 0.64 0.00 0.00 40 V 7.94 4.64 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 0.72 0.00 0.00 0.76 0.00 0.00 41 E 9.40 4.80 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 42 L 8.75 4.83 0.00 1.46 1.43 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 43 G 6.76 3.98 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 0.00 0.00 0.00 44 C 8.79 5.39 0.00 3.01 2.96 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 45 A 8.57 4.60 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.10 4.30 1.35 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 47 T 7.37 4.65 4.22 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 1.20 0.00 0.00 48 C 8.93 4.01 0.00 2.94 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 49 P 0.00 4.33 0.00 1.94 1.61 0.00 3.70 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.17 0.00 50 S 8.41 4.07 0.00 3.78 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.27 4.33 0.00 1.65 1.63 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.39 7.81 52 K 7.31 4.48 0.00 1.10 1.20 0.00 0.86 0.00 0.00 1.48 0.00 0.00 2.73 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.15 1.19 7.81 53 P 0.00 4.26 0.00 2.16 2.16 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 54 Y 7.71 4.80 0.00 3.11 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 55 E 7.60 4.86 0.00 1.70 1.72 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 1.61 1.47 0.00 56 E 9.20 4.59 0.00 2.08 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 2.23 2.25 0.00 57 V 8.54 5.14 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 0.92 0.00 0.00 0.92 0.00 0.00 58 T 8.98 4.82 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 59 C 8.66 5.78 0.00 2.87 3.05 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 60 C 8.67 4.82 0.00 2.99 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 61 S 8.59 4.60 0.00 3.84 3.86 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 62 T 7.52 4.63 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 1.21 0.00 0.00 63 D 8.55 4.52 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.35 3.49 0.00 1.81 1.80 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.12 1.26 7.81 65 C 7.91 4.73 0.00 3.07 3.23 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 0.00 66 N 7.68 4.96 0.00 2.85 2.84 0.00 0.00 6.18 7.75 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 67 P 0.00 4.22 0.00 2.22 2.03 0.00 3.86 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 68 H 8.41 4.10 0.00 3.18 3.16 0.00 5.89 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.25 0.00 2.16 2.13 0.00 3.17 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 70 K 8.17 4.42 0.00 1.85 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.48 7.81 71 Q 8.11 4.70 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 72 R 8.38 4.06 0.00 1.80 1.87 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 73 P 0.00 4.55 0.00 2.19 2.06 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 74 G 8.99 4.03 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 0.00 0.00 0.00