NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4274 8.1933 116.7919 58.5478 63.2163 172.4635 2 N 4.9939 8.2665 122.6681 49.5440 40.1307 173.2963 3 P 5.5059 0.0000 0.0000 62.6078 32.9299 177.4547 4 K 3.8395 8.2193 120.8952 60.1917 31.7189 177.3497 5 D 4.8949 8.7333 117.9572 54.7786 41.1377 178.6432 6 D 4.2828 8.1999 123.3977 57.3779 40.7106 177.8451 7 Y 4.3961 8.2497 117.8382 60.0559 37.6281 178.5143 8 K 3.5790 6.6283 119.3967 58.6301 31.8441 178.6363 9 I 3.3102 7.3432 119.4032 63.6086 37.4946 177.0762 10 W 5.1247 7.1621 118.2740 57.4261 29.0427 177.3014 11 L 4.4263 7.9703 119.0388 55.5844 41.5537 177.9897 12 V 4.0471 7.4577 117.1172 62.8908 32.9001 175.4256 13 I 4.4955 7.4853 112.3089 58.7170 39.6012 174.0238 14 N 4.9502 8.9856 123.1448 52.0934 39.0497 173.7068 15 P 4.3456 0.0000 0.0000 65.9260 30.8579 178.4097 16 S 4.0887 8.0225 113.8875 60.9496 62.7834 175.7285 17 T 3.9792 7.6590 117.4800 65.5490 69.1601 176.8587 18 W 4.6195 7.8004 119.5361 58.6406 29.2151 178.4393 19 L 3.6752 7.7713 120.9363 57.6315 41.4213 177.2848 20 P 3.8333 0.0000 0.0000 65.1972 31.1731 178.8082 21 V 3.6756 7.6396 117.1410 65.9029 31.7123 177.9592 22 I 3.8572 8.1116 112.7543 63.4117 37.4075 178.3502 23 W 4.5419 7.7899 121.4506 59.6980 28.9937 178.5232 24 I 3.7940 8.1838 119.9110 64.4233 36.6172 178.5486 25 V 3.6457 8.2073 119.0565 66.1534 31.3779 177.9424 26 A 4.1132 8.0806 119.8992 55.4297 18.1426 179.8243 27 T 3.9044 8.0341 114.4607 66.6694 68.4456 177.2171 28 V 3.6089 7.9621 120.2667 65.9011 31.5025 178.1809 29 V 3.5791 7.9590 117.7674 66.0868 31.3792 177.8074 30 A 4.0837 8.1144 120.3952 55.2592 18.1559 179.7652 31 I 3.6943 7.9791 118.1496 64.3702 37.1762 178.4544 32 A 4.0062 8.3367 121.9986 55.2713 18.3802 179.8846 33 V 3.5532 8.2368 117.1492 66.4545 31.5909 177.9446 34 H 4.2540 8.4651 115.8396 58.8129 28.6690 177.6387 35 A 4.0355 8.2469 122.4267 55.0542 17.9969 179.4556 36 A 3.9713 7.9822 118.2984 55.6013 18.8171 180.0668 37 V 3.7569 7.8267 110.4070 64.3463 31.4003 178.8278 38 L 3.9305 8.0344 117.7777 57.0477 41.4746 178.5282 39 A 4.3073 7.6907 118.5441 51.9194 19.1210 176.9211 40 A 4.3594 7.8722 121.6452 51.6630 19.3724 176.4435 41 P 3.4177 0.0000 0.0000 64.3938 32.5066 176.8441 42 G 3.9875 8.5265 110.0415 46.6874 0.0000 173.9077 43 F 4.6217 8.2073 117.1894 57.1275 39.8040 176.6003 44 N 4.4182 7.7598 120.6361 52.4777 38.1396 174.8680 45 W 4.3054 8.6774 126.3543 59.2030 28.2077 178.2556 46 I 3.6069 6.5984 120.1987 64.0746 36.5962 177.9475 47 A 3.9044 7.6193 121.0863 55.0839 18.2803 179.2769 48 L 4.0039 8.0881 117.7559 58.1668 41.5913 180.1893 49 G 3.6075 8.1626 105.1136 47.6249 0.0000 175.7122 50 A 4.0099 8.0194 122.9493 54.7016 18.3783 179.6045 51 A 3.8653 8.2409 119.5481 55.3435 18.3319 179.6403 52 K 3.9345 7.9508 116.7027 59.9738 31.8902 178.7748 53 S 4.2696 7.9691 115.2857 61.4173 62.5458 176.4743 54 A 4.0468 7.8247 122.5197 54.9575 18.1932 179.3018 55 A 4.0841 8.3682 118.7872 54.6145 18.4881 178.2340 56 K 4.2407 7.4471 120.2392 56.8197 32.3648 176.7417 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 S 8.19 4.43 0.00 3.91 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 2 N 8.27 4.99 0.00 2.75 2.88 0.00 0.00 7.12 7.45 0.00 0.00 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 P 0.00 5.51 0.00 2.25 2.28 0.00 3.89 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 2.09 1.92 0.00 4 K 8.22 3.84 0.00 1.77 2.21 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.54 7.81 5 D 8.73 4.89 0.00 2.65 2.52 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 0.00 6 D 8.20 4.28 0.00 2.95 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 7 Y 8.25 4.40 0.00 3.37 3.37 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 8 K 6.63 3.58 0.00 1.59 1.61 0.00 1.45 0.00 0.00 1.39 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.88 0.40 7.81 9 I 7.34 3.31 1.38 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.73 -0.60 0.00 0.00 10 W 7.16 5.12 0.00 3.43 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 11 L 7.97 4.43 0.00 1.69 1.73 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.46 4.05 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 0.84 0.00 0.00 0.82 0.00 0.00 13 I 7.49 4.50 1.87 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.84 0.66 0.00 0.00 14 N 8.99 4.95 0.00 2.89 2.88 0.00 0.00 6.95 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 15 P 0.00 4.35 0.00 1.97 1.62 0.00 3.89 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 16 S 8.02 4.09 0.00 3.97 3.90 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 17 T 7.66 3.98 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 0.11 0.00 0.00 18 W 7.80 4.62 0.00 3.53 3.26 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 0.00 19 L 7.77 3.68 0.00 1.54 1.18 0.68 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 3.83 0.00 2.09 2.06 0.00 3.63 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.83 0.00 21 V 7.64 3.68 2.50 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 1.45 0.00 0.00 0.89 0.00 0.00 22 I 8.11 3.86 1.97 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.42 1.07 0.00 0.00 23 W 7.79 4.54 0.00 3.64 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 24 I 8.18 3.79 2.11 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 1.51 1.25 0.98 0.00 0.00 25 V 8.21 3.65 2.17 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 1.06 0.00 0.00 1.05 0.00 0.00 26 A 8.08 4.11 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 3.90 4.45 0.00 0.00 0.00 0.00 0.00 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 V 7.96 3.61 2.27 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 1.12 0.00 0.00 1.01 0.00 0.00 29 V 7.96 3.58 2.27 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 1.05 0.00 0.00 1.00 0.00 0.00 30 A 8.11 4.08 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.69 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.76 0.94 0.00 0.00 32 A 8.34 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 3.55 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 0.98 0.00 0.00 0.97 0.00 0.00 34 H 8.47 4.25 0.00 3.52 3.59 0.00 5.87 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 35 A 8.25 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 3.97 1.37 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 37 V 7.83 3.76 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 0.87 0.00 0.00 1.25 0.00 0.00 38 L 8.03 3.93 0.00 1.72 1.56 0.75 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.69 4.31 1.38 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 40 A 7.87 4.36 1.38 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 41 P 0.00 3.42 0.00 2.25 1.84 0.00 3.64 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 42 G 8.53 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 43 F 8.21 4.62 0.00 3.16 3.28 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 0.00 44 N 7.76 4.42 0.00 2.80 2.66 0.00 0.00 6.44 7.56 0.00 0.00 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 W 8.68 4.31 0.00 3.67 3.58 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 46 I 6.60 3.61 1.50 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 -0.36 0.82 0.00 0.00 47 A 7.62 3.90 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 48 L 8.09 4.00 0.00 1.94 1.78 0.90 0.77 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 49 G 8.16 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.01 1.36 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 0.00 0.00 51 A 8.24 3.87 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 3.93 0.00 1.77 2.02 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 53 S 7.97 4.27 0.00 4.02 3.89 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 54 A 7.82 4.05 1.36 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 0.00 0.00 55 A 8.37 4.08 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 56 K 7.45 4.24 0.00 1.97 1.73 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.66 7.81