NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5579 8.0433 122.7593 54.8760 43.9865 175.1721 2 K 5.0870 8.9388 124.1049 54.4768 35.6851 173.2168 3 C 5.3643 9.8419 121.2989 55.1992 45.0938 173.2523 4 N 5.1941 9.3371 119.4304 53.4334 39.3578 174.9578 5 K 4.4311 8.4039 120.9981 54.6451 34.3621 176.1303 6 L 3.8735 8.6811 122.0554 58.3896 41.8183 177.7234 7 V 4.1304 7.6311 122.0094 60.3129 30.3734 174.1246 8 P 4.3728 0.0000 0.0000 64.7098 31.1405 177.5576 9 L 4.0979 7.8633 117.9073 56.4368 42.2252 176.5077 10 F 4.9520 8.5197 118.3848 55.9917 41.4468 174.5475 11 Y 5.5192 7.8833 119.1568 55.8386 41.7689 173.1464 12 K 4.7681 9.4521 118.0447 55.9986 36.9356 174.8993 13 T 5.1299 8.3116 116.7997 61.9041 69.9223 175.7718 14 C 4.6830 8.8952 124.8163 56.2688 35.4685 172.1773 15 P 4.5484 0.0000 0.0000 61.4817 32.2222 175.3668 16 A 4.1411 8.2520 121.7570 54.0152 18.5229 178.1963 17 G 3.9527 9.1103 110.2302 44.9705 0.0000 173.9208 18 K 4.5236 7.4788 118.4994 54.9111 31.6156 175.6233 19 N 5.0779 8.3317 123.7842 52.5337 39.6357 174.9727 20 L 5.0547 7.6678 115.5393 53.4926 46.5765 175.2790 21 C 5.5776 9.4200 120.0980 55.9007 37.6570 172.2447 22 Y 5.5413 8.5149 117.7291 55.8649 41.8274 173.5824 23 K 4.9285 9.3229 120.8900 54.9997 35.8715 174.5450 24 M 4.9909 8.9157 126.9818 53.9568 35.4755 174.1115 25 F 5.0719 7.5422 116.9861 55.9429 42.0169 172.7084 26 M 4.5053 8.6073 120.6722 55.3628 32.6395 177.1470 27 V 3.6369 9.1242 126.7947 66.0913 31.7433 176.7595 28 A 4.3280 7.9542 119.9377 53.5066 19.6328 177.2693 29 T 4.6996 7.9820 106.3229 59.6298 68.5522 173.1700 30 P 3.9047 0.0000 0.0000 64.5854 31.7361 177.6539 31 K 4.1635 7.6726 117.2253 56.4310 32.6933 176.8460 32 V 4.2069 7.0714 119.5108 59.7044 30.9640 172.1941 33 P 4.6225 0.0000 0.0000 62.5074 31.8598 176.8738 34 V 4.3050 8.2527 115.1152 61.7191 32.7924 175.9192 35 K 4.6796 7.7715 120.5499 55.6122 35.4996 174.3459 36 R 4.3728 7.8701 123.3488 54.2981 34.3014 176.2390 37 G 3.8468 6.5378 107.2381 46.6418 0.0000 170.5515 38 C 5.4020 8.4481 118.2821 55.8984 41.6586 172.5571 39 I 4.6281 8.5095 121.6603 60.1597 40.9764 174.9549 40 D 4.5697 8.5492 122.6799 54.2531 40.3490 177.0799 41 V 4.3501 7.2022 116.9312 60.3976 34.5207 174.9942 42 C 4.3335 8.6059 126.1155 55.3081 43.9170 171.6810 43 P 4.0372 0.0000 0.0000 62.0165 31.3334 175.9212 44 K 3.9982 8.0092 122.4351 56.1334 32.4788 176.9991 45 S 4.6187 8.6262 123.3058 58.5173 63.4865 173.5097 46 S 4.9116 8.4610 119.2121 55.9371 65.6829 173.2254 47 L 4.0750 8.7107 120.9493 58.1187 41.7218 178.0177 48 L 4.4685 7.8788 116.3847 54.6238 43.1864 175.7610 49 V 4.6017 7.5116 119.2037 60.6714 34.0797 174.3648 50 K 4.7569 8.5307 129.0250 54.6519 35.1940 174.1013 51 Y 4.9902 8.5130 122.6128 56.0417 41.3540 175.1151 52 V 4.5017 9.1370 123.7866 61.4629 33.9315 173.6553 53 C 5.8523 8.9133 124.9440 55.7388 40.5013 171.7952 54 C 5.0731 8.8829 115.0974 54.1869 45.4406 173.1160 55 N 5.2781 8.5347 115.0801 52.8612 37.4751 174.1461 56 T 4.6824 7.6375 106.7112 60.3037 72.1600 172.4458 57 D 4.4263 8.8701 121.4410 56.6482 41.1607 177.3831 58 R 3.7662 8.9579 124.8146 57.2250 28.3448 175.1059 59 C 4.4488 7.8591 112.9626 57.2341 42.6400 173.3506 60 N 4.5320 8.0317 121.8933 52.9399 37.2274 174.7027 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 L 8.04 4.56 0.00 1.81 1.63 0.97 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.94 5.09 0.00 1.63 1.63 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.51 7.81 3 C 9.84 5.36 0.00 2.88 2.92 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 4 N 9.34 5.19 0.00 2.61 2.79 0.00 0.00 6.88 8.20 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 5 K 8.40 4.43 0.00 1.72 1.79 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.43 7.81 6 L 8.68 3.87 0.00 1.58 1.74 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.63 4.13 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 1.19 0.00 0.00 0.98 0.00 0.00 8 P 0.00 4.37 0.00 2.22 2.21 0.00 3.86 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 9 L 7.86 4.10 0.00 1.41 1.25 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.52 4.95 0.00 3.06 2.89 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 11 Y 7.88 5.52 0.00 3.10 3.06 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 0.00 0.00 0.00 0.00 12 K 9.45 4.77 0.00 1.81 1.93 0.00 1.33 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.48 7.81 13 T 8.31 5.13 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 1.25 0.00 0.00 14 C 8.90 4.68 0.00 2.90 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 15 P 0.00 4.55 0.00 2.23 2.20 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 16 A 8.25 4.14 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.11 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 18 K 7.48 4.52 0.00 1.93 1.81 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.39 7.81 19 N 8.33 5.08 0.00 2.70 2.82 0.00 0.00 6.94 7.85 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 20 L 7.67 5.05 0.00 1.83 1.56 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 21 C 9.42 5.58 0.00 2.86 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 22 Y 8.51 5.54 0.00 3.12 3.07 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 0.00 0.00 0.00 23 K 9.32 4.93 0.00 1.86 1.79 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.66 1.46 7.81 24 M 8.92 4.99 0.00 2.16 1.91 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 2.11 0.00 25 F 7.54 5.07 0.00 3.14 3.06 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 0.00 0.00 0.00 0.00 26 M 8.61 4.51 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 27 V 9.12 3.64 2.11 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 0.84 0.00 0.00 1.05 0.00 0.00 28 A 7.95 4.33 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 T 7.98 4.70 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 1.22 0.00 0.00 30 P 0.00 3.90 0.00 1.86 2.21 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 31 K 7.67 4.16 0.00 1.68 1.80 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.26 1.28 7.81 32 V 7.07 4.21 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 0.80 0.00 0.00 0.91 0.00 0.00 33 P 0.00 4.62 0.00 2.10 2.04 0.00 3.69 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 2.00 2.03 0.00 34 V 8.25 4.31 2.11 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 0.66 0.00 0.00 1.02 0.00 0.00 35 K 7.77 4.68 0.00 1.89 1.78 0.00 1.85 0.00 0.00 2.07 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.56 7.81 36 R 7.87 4.37 0.00 1.60 1.80 0.00 3.37 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 37 G 6.54 3.85 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 0.00 0.00 0.00 38 C 8.45 5.40 0.00 3.06 3.09 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 39 I 8.51 4.63 1.78 0.00 0.00 0.40 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 1.09 0.96 0.00 0.00 40 D 8.55 4.57 0.00 2.80 2.83 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 0.00 0.00 0.00 0.00 41 V 7.20 4.35 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 0.75 0.00 0.00 0.89 0.00 0.00 42 C 8.61 4.33 0.00 2.95 2.93 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 43 P 0.00 4.04 0.00 0.49 1.07 0.00 3.33 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.57 0.00 44 K 8.01 4.00 0.00 1.63 1.62 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.43 7.81 45 S 8.63 4.62 0.00 3.94 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 46 S 8.46 4.91 0.00 3.93 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 47 L 8.71 4.08 0.00 1.61 1.76 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.88 4.47 0.00 1.73 1.67 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.51 4.60 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 0.61 0.00 0.00 0.90 0.00 0.00 50 K 8.53 4.76 0.00 1.62 0.83 0.00 1.73 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.99 1.29 7.81 51 Y 8.51 4.99 0.00 2.80 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 52 V 9.14 4.50 2.30 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 1.09 0.00 0.00 1.21 0.00 0.00 53 C 8.91 5.85 0.00 2.92 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 54 C 8.88 5.07 0.00 3.00 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 55 N 8.53 5.28 0.00 2.79 2.89 0.00 0.00 5.80 7.71 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 56 T 7.64 4.68 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 1.21 0.00 0.00 57 D 8.87 4.43 0.00 2.63 2.61 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 58 R 8.96 3.77 0.00 1.76 2.05 0.00 2.33 0.00 0.00 2.97 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.31 0.00 59 C 7.86 4.45 0.00 3.05 3.29 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 60 N 8.03 4.53 0.00 2.92 2.85 0.00 0.00 5.88 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