NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3606 8.2993 120.1348 55.5680 33.8437 175.0118 3 S 4.4876 7.7845 111.1246 56.5262 65.3442 172.8769 4 L 4.0812 8.8852 123.0937 57.6202 42.4796 178.5241 5 G 4.2486 7.6408 104.1519 44.0019 0.0000 171.4977 6 R 4.5598 8.4290 117.6972 54.3018 32.5614 174.9246 7 H 4.8747 8.8471 122.0882 54.1779 32.1042 172.2184 8 L 4.5194 8.6743 126.8117 53.0174 42.9869 175.8471 9 V 4.1309 8.3159 123.5262 61.0194 32.2979 174.5176 10 A 4.7111 8.3729 129.7099 50.2477 21.4915 174.6183 11 E 4.3160 8.7922 122.0070 54.6468 30.4807 175.4522 12 F 4.7476 8.4454 123.2339 55.9210 40.4914 175.0523 13 Y 4.9136 8.1644 122.4447 56.8607 41.0207 174.7010 14 E 3.8066 8.8810 118.2716 57.7457 27.1525 174.6508 15 C 4.4081 7.8450 114.4714 58.8263 29.8817 173.8423 16 D 4.4891 8.4400 119.7625 54.1817 41.1385 176.7943 17 R 4.0110 8.5955 127.1070 59.0357 30.4005 178.6606 18 E 4.1077 8.5323 118.8766 59.3013 29.4945 179.1980 19 V 3.5807 8.0351 117.7605 66.2017 31.3991 177.8614 20 L 4.0833 7.7048 116.6917 56.9493 41.3798 178.0188 21 D 5.1413 7.6336 115.8166 53.0945 41.8997 175.9363 22 N 4.7861 7.9880 118.1004 51.4879 39.7659 175.1193 23 V 3.6400 8.1715 129.2359 64.8826 31.5852 177.8996 24 Q 3.8951 8.0565 119.6239 58.4781 28.9145 177.6205 25 L 3.9384 8.0617 121.4469 57.8828 42.0820 178.8176 26 I 3.5892 7.7908 119.8866 64.3576 36.9771 177.9985 27 E 2.5400 7.4926 119.6547 58.6034 29.4231 178.5081 28 Q 3.8255 7.7384 119.5089 59.3559 29.0457 178.3592 29 E 3.9419 8.6935 119.8317 59.5695 29.4843 179.2337 30 M 4.0181 8.5900 119.2335 58.4236 32.0971 179.0188 31 K 3.7077 8.0739 118.7551 59.1152 32.0606 179.3140 32 Q 3.6220 7.6291 119.3921 59.0083 29.0315 177.8478 33 A 4.0229 8.1820 121.9244 55.1577 18.0779 179.4925 34 A 3.8758 7.4431 118.3194 55.4333 18.6676 179.0963 35 Y 4.4887 7.2708 115.0912 61.6019 37.8069 178.8661 36 E 4.0227 8.5355 118.5168 59.3126 29.6056 179.1355 37 S 4.3718 8.0094 113.0160 59.4818 63.4972 175.1804 38 G 3.9735 8.5043 110.8414 44.9716 0.0000 173.8624 39 A 3.9199 7.1617 122.2070 52.8949 18.6881 177.1318 40 T 4.3665 8.2956 112.5108 60.0153 69.1888 174.8193 41 I 3.8598 8.3198 128.4177 61.4232 37.8047 175.9418 42 V 4.0478 8.8989 126.3099 65.0702 32.1871 175.7179 43 T 4.6066 7.4084 112.1587 61.3267 70.7157 171.6481 44 S 5.1624 8.5132 119.5340 56.9971 65.9054 173.0365 45 T 4.7164 8.7387 120.8369 60.7170 70.6667 172.3344 46 F 5.1569 8.8439 126.3082 55.9711 42.9747 173.9503 47 H 5.0079 9.7682 118.9683 54.0325 32.9476 172.6306 48 R 4.8013 8.7791 122.5597 54.9386 30.7765 174.9831 49 F 5.0013 8.8844 129.4565 57.1316 40.8428 174.9120 50 L 4.4444 7.1425 123.3690 52.0213 43.9054 175.2421 51 P 4.0112 0.0000 0.0000 64.6960 31.7475 175.8252 52 Y 5.0452 7.4405 114.4386 56.6043 42.0995 174.4978 53 G 4.3492 8.7428 109.7010 44.7631 0.0000 173.3468 54 V 5.0595 8.2163 120.6146 61.2390 34.7140 174.2187 55 S 4.8691 9.1208 123.8277 56.7783 65.5992 173.4179 56 G 3.6704 8.3389 110.1168 44.6059 0.0000 172.4052 57 V 4.4088 7.4619 121.3318 59.5730 35.2641 174.1078 58 V 4.6599 8.2410 123.1390 61.0898 33.7023 174.7284 59 V 4.0581 8.8637 129.9200 62.0104 32.7138 176.1728 60 I 4.2653 8.2211 120.4014 61.0513 37.5917 175.1577 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 2 K 8.30 4.36 0.00 1.75 1.90 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.50 7.81 3 S 7.78 4.49 0.00 4.02 3.79 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 0.00 0.00 0.00 0.00 4 L 8.89 4.08 0.00 1.66 1.79 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 5 G 7.64 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 0.00 0.00 0.00 0.00 6 R 8.43 4.56 0.00 1.78 1.84 0.00 3.16 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 7 H 8.85 4.87 0.00 3.02 3.12 0.00 5.72 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.67 4.52 0.00 1.69 1.61 0.96 0.94 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 9 V 8.32 4.13 2.03 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 0.77 0.00 0.00 0.73 0.00 0.00 10 A 8.37 4.71 1.26 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 0.00 0.00 11 E 8.79 4.32 0.00 1.79 1.25 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 2.22 2.31 0.00 12 F 8.45 4.75 0.00 2.74 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 13 Y 8.16 4.91 0.00 2.95 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 14 E 8.88 3.81 0.00 2.12 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 0.00 2.26 2.38 0.00 15 C 7.85 4.41 0.00 3.02 2.95 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 16 D 8.44 4.49 0.00 2.72 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 17 R 8.60 4.01 0.00 1.79 1.94 0.00 3.22 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 18 E 8.53 4.11 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 19 V 8.04 3.58 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 0.94 0.00 0.00 20 L 7.70 4.08 0.00 1.87 1.77 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.63 5.14 0.00 2.72 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.99 4.79 0.00 2.94 2.78 0.00 0.00 6.96 7.24 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 23 V 8.17 3.64 2.13 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 0.74 0.00 0.00 1.04 0.00 0.00 24 Q 8.06 3.90 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 25 L 8.06 3.94 0.00 1.90 1.75 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.79 3.59 1.81 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 1.71 1.00 1.00 0.00 0.00 27 E 7.49 2.54 0.00 1.16 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.59 0.00 28 Q 7.74 3.83 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 29 E 8.69 3.94 0.00 2.04 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 0.00 2.54 2.47 0.00 30 M 8.59 4.02 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.90 0.00 31 K 8.07 3.71 0.00 1.81 1.47 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.42 7.81 32 Q 7.63 3.62 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 33 A 8.18 4.02 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 34 A 7.44 3.88 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 35 Y 7.27 4.49 0.00 3.18 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.54 4.02 0.00 2.08 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 0.00 2.60 2.51 0.00 37 S 8.01 4.37 0.00 4.06 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 38 G 8.50 3.97 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 0.00 0.00 0.00 39 A 7.16 3.92 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 40 T 8.30 4.37 4.27 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 1.23 0.00 0.00 41 I 8.32 3.86 1.95 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 1.32 0.62 0.98 0.00 0.00 42 V 8.90 4.05 2.21 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 0.71 0.00 0.00 0.93 0.00 0.00 43 T 7.41 4.61 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 44 S 8.51 5.16 0.00 3.96 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.74 4.72 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 1.15 0.00 0.00 46 F 8.84 5.16 0.00 2.87 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 47 H 9.77 5.01 0.00 3.03 3.20 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.78 4.80 0.00 1.85 1.90 0.00 3.33 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 49 F 8.88 5.00 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.14 4.44 0.00 1.28 1.22 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.01 0.00 1.02 1.72 0.00 3.38 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 1.40 1.64 0.00 52 Y 7.44 5.05 0.00 2.99 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 53 G 8.74 4.35 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 0.00 54 V 8.22 5.06 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 0.99 0.00 0.00 1.02 0.00 0.00 55 S 9.12 4.87 0.00 3.81 3.67 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 56 G 8.34 3.67 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 0.00 0.00 0.00 57 V 7.46 4.41 1.90 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 0.53 0.00 0.00 0.82 0.00 0.00 58 V 8.24 4.66 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 0.82 0.00 0.00 1.09 0.00 0.00 59 V 8.86 4.06 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 0.72 0.00 0.00 0.89 0.00 0.00 60 I 8.22 4.27 1.87 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 1.25 0.84 0.91 0.00 0.00