NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3578 8.1744 110.9441 61.2409 70.5577 173.5333 6 N 4.7958 7.9182 120.1936 53.1842 39.3416 173.2784 7 S 4.5293 8.1438 112.3041 57.2667 65.2626 172.8984 8 D 4.8045 8.4536 121.9963 55.0003 42.4014 174.2784 9 F 5.2726 7.6763 114.7712 55.8234 41.1745 173.6435 10 V 4.6239 8.9734 112.0812 59.5126 35.7316 174.9178 11 V 4.7390 8.5688 122.9520 61.2730 33.9745 174.3699 12 I 5.0251 8.8118 128.4509 59.2967 40.6902 174.2566 13 K 5.0923 9.1304 128.3653 54.1568 34.7069 175.0109 14 A 4.3669 8.6394 130.4732 52.5714 18.9346 177.4541 15 L 4.6423 8.9556 122.7288 54.9397 42.5566 176.0554 16 E 4.6443 7.6605 115.4138 55.0338 32.2808 174.2754 17 D 4.5574 8.4619 119.2498 54.9198 41.4739 176.3340 18 G 3.9271 8.0320 108.0994 46.4417 0.0000 174.2224 19 V 3.8597 7.5686 119.6682 62.9046 32.7626 174.3696 20 N 5.2415 8.9521 124.9106 51.5905 41.1423 173.9478 21 V 4.4287 8.7603 124.6044 61.5008 33.2623 174.0750 22 I 4.4725 8.7523 130.2443 59.5967 39.4119 175.1875 23 G 4.1938 8.9041 114.7295 44.9833 0.0000 172.5850 24 L 5.3271 9.3772 126.6242 53.1474 44.0479 176.3038 25 T 4.4115 8.7373 114.1066 61.7386 69.3245 174.1823 26 R 4.1807 8.1700 126.8861 56.4141 30.1275 175.6268 27 G 3.7489 8.8501 110.7235 44.1120 0.0000 173.7100 28 A 4.1012 8.5648 121.8809 54.2909 18.6579 177.5406 29 D 4.9062 7.2625 111.7069 53.2293 42.7269 176.6285 30 T 4.5485 8.2336 122.0474 61.2404 68.4600 172.9722 31 R 4.6409 8.9382 122.9187 53.6372 32.5476 176.3360 32 F 5.0875 8.3489 116.6030 57.6884 39.5400 175.5437 33 H 5.0215 8.4730 115.8149 55.2814 30.1921 172.9564 34 H 4.6651 7.4177 118.2257 55.1865 33.2274 172.1818 35 S 4.7448 8.1623 119.4026 56.4791 64.6652 172.2921 36 E 4.4363 8.7373 129.6947 54.7642 30.9756 174.9340 37 K 4.7985 8.6129 126.9062 55.8504 33.4307 176.1591 38 L 4.9779 9.2134 125.0341 53.0978 44.9037 175.8900 39 D 5.0770 9.4266 122.9558 52.3752 43.3843 175.7461 40 K 3.8762 8.7327 121.5556 58.8981 32.0832 176.8374 41 G 3.9483 9.4168 114.8307 45.2738 0.0000 172.3920 42 E 4.3658 8.0986 120.0050 55.4946 31.0897 175.5420 43 V 4.7319 8.3457 123.8288 61.2221 33.3219 174.2535 44 L 4.6459 9.0217 130.8226 53.4246 44.1560 174.7918 45 I 4.8913 8.4056 126.9154 59.6672 38.8199 174.8516 46 A 4.7064 8.7386 128.8481 50.1587 22.1205 175.4332 47 Q 4.8903 8.6112 120.6857 54.9007 30.5638 175.6113 48 F 4.4495 8.4638 120.0419 57.9086 39.5700 175.5582 49 T 4.6756 8.7917 110.8807 60.3989 71.7298 173.8213 50 E 3.9921 8.9646 120.8946 59.3649 29.7589 177.5396 51 H 4.6341 7.8279 111.3717 56.0357 30.0958 174.1451 52 T 5.4604 8.1433 116.9233 60.8214 70.2294 174.6329 53 S 5.1264 8.5786 118.9942 57.4610 65.1209 173.0299 54 A 4.8860 7.7031 118.9308 51.6508 22.2262 175.5999 55 I 4.9724 8.7332 122.1717 59.2884 40.3337 174.7795 56 K 4.6006 9.1423 128.3687 54.4870 34.8151 174.6732 57 V 4.8047 8.3684 126.2111 61.1305 33.9366 174.5511 58 R 4.5456 9.2346 126.8228 55.6660 33.1316 176.3695 59 G 3.9918 8.9709 108.7118 44.1071 0.0000 172.2346 60 K 4.5320 8.4812 120.0581 56.1265 32.8772 175.6762 61 A 5.0839 8.7204 127.7301 51.1906 23.4931 173.6230 62 Y 4.9736 8.9141 120.4952 55.9811 41.5792 174.7263 63 I 5.5669 7.7840 125.7551 58.5750 41.6772 174.0193 64 Q 5.0120 8.5620 125.2886 54.2914 31.7828 174.7461 65 T 4.8361 8.7155 113.0417 59.5805 72.5656 174.7531 66 R 3.7581 8.5776 121.0864 59.2309 29.8950 176.4531 67 H 4.7222 9.1142 112.7097 55.5316 29.5635 175.8845 68 G 3.7506 6.5610 107.1724 44.6104 0.0000 172.3981 69 V 4.8332 7.4663 112.8608 59.9438 35.2111 175.0337 70 I 4.3546 7.8629 120.2223 60.3307 41.9075 172.6540 71 E 5.3667 8.6892 126.6091 54.5106 31.6649 176.1030 72 S 4.5537 8.9444 119.3261 58.1911 64.8462 172.9613 73 E 4.9156 8.6144 119.8612 54.8506 33.2121 176.1913 74 G 3.7159 8.4249 110.1788 46.1777 0.0000 172.8091 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 5 T 8.17 4.36 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 1.22 0.00 0.00 6 N 7.92 4.80 0.00 2.79 2.85 0.00 0.00 7.13 6.75 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 7 S 8.14 4.53 0.00 4.14 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 8 D 8.45 4.80 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 7.68 5.27 0.00 3.07 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 10 V 8.97 4.62 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 0.57 0.00 0.00 0.87 0.00 0.00 11 V 8.57 4.74 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 1.05 0.00 0.00 1.16 0.00 0.00 12 I 8.81 5.03 1.86 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 1.08 0.55 0.91 0.00 0.00 13 K 9.13 5.09 0.00 1.88 1.83 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.64 4.37 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.96 4.64 0.00 1.68 1.73 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.66 4.64 0.00 2.03 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 2.19 2.33 0.00 17 D 8.46 4.56 0.00 2.69 2.64 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 18 G 8.03 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 0.00 0.00 0.00 19 V 7.57 3.86 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 0.96 0.00 0.00 0.95 0.00 0.00 20 N 8.95 5.24 0.00 2.65 2.58 0.00 0.00 6.26 7.20 0.00 0.00 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 8.76 4.43 2.02 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 0.89 0.00 0.00 0.89 0.00 0.00 22 I 8.75 4.47 1.43 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.13 -0.32 0.00 0.00 23 G 8.90 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 24 L 9.38 5.33 0.00 1.87 1.69 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.74 4.41 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 26 R 8.17 4.18 0.00 1.87 1.99 0.00 3.21 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.85 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 0.00 0.00 0.00 0.00 28 A 8.56 4.10 1.30 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 0.00 0.00 0.00 29 D 7.26 4.91 0.00 2.65 2.58 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 30 T 8.23 4.55 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 1.28 0.00 0.00 31 R 8.94 4.64 0.00 1.91 2.04 0.00 2.78 0.00 0.00 3.45 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 32 F 8.35 5.09 0.00 2.94 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 33 H 8.47 5.02 0.00 3.26 3.45 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.42 4.67 0.00 3.25 3.01 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.16 4.74 0.00 3.68 3.60 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 36 E 8.74 4.44 0.00 2.18 1.77 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 2.24 2.31 0.00 37 K 8.61 4.80 0.00 1.64 1.72 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.41 1.50 7.81 38 L 9.21 4.98 0.00 1.51 1.52 0.91 0.94 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 39 D 9.43 5.08 0.00 2.55 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 K 8.73 3.88 0.00 1.70 1.78 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.46 1.43 7.81 41 G 9.42 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 0.00 0.00 0.00 42 E 8.10 4.37 0.00 2.08 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 2.30 2.25 0.00 43 V 8.35 4.73 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 0.78 0.00 0.00 0.97 0.00 0.00 44 L 9.02 4.65 0.00 1.74 1.48 0.89 0.71 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 45 I 8.41 4.89 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.73 0.63 0.00 0.00 46 A 8.74 4.71 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 0.00 0.00 0.00 0.00 0.00 47 Q 8.61 4.89 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 48 F 8.46 4.45 0.00 3.06 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 T 8.79 4.68 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 1.29 0.00 0.00 50 E 8.96 3.99 0.00 1.93 2.01 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 1.95 2.23 0.00 51 H 7.83 4.63 0.00 3.29 3.19 0.00 5.81 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 52 T 8.14 5.46 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 1.25 0.00 0.00 53 S 8.58 5.13 0.00 3.87 4.08 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 54 A 7.70 4.89 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.73 4.97 1.80 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.60 0.84 0.00 0.00 56 K 9.14 4.60 0.00 1.74 1.50 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.35 7.81 57 V 8.37 4.80 2.06 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 0.90 0.00 0.00 0.89 0.00 0.00 58 R 9.23 4.55 0.00 1.72 1.76 0.00 3.13 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 59 G 8.97 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 0.00 0.00 0.00 60 K 8.48 4.53 0.00 1.84 1.72 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.41 7.81 61 A 8.72 5.08 1.24 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 62 Y 8.91 4.97 0.00 3.05 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 63 I 7.78 5.57 1.82 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 1.18 1.07 0.83 0.00 0.00 64 Q 8.56 5.01 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.06 0.00 65 T 8.72 4.84 4.16 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 1.17 0.00 0.00 66 R 8.58 3.76 0.00 1.59 1.75 0.00 3.09 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 67 H 9.11 4.72 0.00 3.19 3.25 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.56 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 0.00 0.00 0.00 0.00 69 V 7.47 4.83 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 0.73 0.00 0.00 0.98 0.00 0.00 70 I 7.86 4.35 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.08 0.85 0.00 0.00 71 E 8.69 5.37 0.00 1.92 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 2.54 2.47 0.00 72 S 8.94 4.55 0.00 3.89 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 73 E 8.61 4.92 0.00 1.83 1.85 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 2.21 2.29 0.00 74 G 8.42 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