NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0724 8.0544 120.3303 61.5034 32.6627 174.0949 7 D 4.6523 8.7420 123.9887 52.5000 42.7103 174.7898 8 C 4.7532 8.4929 123.0978 56.6822 41.5507 175.2629 9 S 4.0338 8.1293 116.8464 61.3092 62.5351 175.0833 10 E 4.2005 8.3013 117.9538 57.3809 29.7942 176.0661 11 Y 4.1609 7.9690 117.5772 55.8457 39.3148 173.2617 12 P 5.0564 0.0000 0.0000 62.4225 32.2193 175.6252 13 K 4.5212 8.9602 118.9436 53.5861 34.5094 176.0320 14 P 3.9730 0.0000 0.0000 65.4116 31.3234 176.0110 15 A 4.7561 7.3057 118.9081 50.7954 22.3009 174.4086 16 C 5.1021 8.4057 116.2965 54.9252 43.8463 174.8437 17 T 4.2255 8.5158 113.6834 62.1287 69.2114 173.7522 18 D 4.9558 8.3616 121.4994 53.9445 41.2620 176.5451 19 E 4.4896 7.9876 115.9558 55.3245 31.5692 174.7438 20 Y 5.1261 8.3598 121.2994 56.5388 40.0784 176.5576 21 R 4.6210 8.7509 126.6365 54.1985 33.0655 172.7299 22 P 4.6519 0.0000 0.0000 62.9298 33.0719 175.8049 23 L 4.8902 8.9997 120.2855 53.0999 46.3736 174.8136 24 C 4.8577 8.9697 122.9046 54.9133 40.0389 173.7648 25 G 4.5873 8.9379 114.7816 45.5596 0.0000 173.9368 26 S 4.4772 8.9740 114.4338 59.9107 63.2442 174.7040 27 D 4.6256 8.1444 119.8275 53.1124 39.3814 176.3402 28 N 4.3091 8.0740 114.9473 54.0126 36.8163 173.5138 29 K 4.3546 7.8970 119.7258 54.8899 33.5176 175.6883 30 T 4.5060 8.2178 122.8972 63.1716 68.8677 173.8285 31 Y 4.2489 8.9987 125.9433 56.9586 38.7478 177.0989 32 G 3.9962 9.0582 114.0886 47.1872 0.0000 172.3499 33 N 4.8376 7.7528 117.2868 51.2638 40.4364 174.9348 34 K 3.8426 8.3109 122.9560 60.1192 32.3310 179.3746 35 C 4.7219 8.2863 119.2225 59.2671 38.6625 175.0624 36 N 4.3790 8.5408 117.9312 56.4283 38.2400 176.8965 37 F 3.3709 8.7509 122.2165 61.6593 39.3780 176.6512 38 C 3.8268 8.5537 115.9058 59.5402 40.9333 175.8118 39 N 4.2978 7.9521 117.7968 55.9466 38.0982 177.3271 40 A 3.9058 7.6502 122.3136 54.8500 18.4482 179.6954 41 V 3.1672 6.9491 116.7982 65.9189 31.3447 178.5031 42 V 3.4785 7.5875 117.7653 66.0847 31.2866 177.6834 43 E 3.3810 8.0572 117.5529 58.5872 29.4581 177.8357 44 S 4.4266 7.6768 111.9645 57.5586 63.5453 173.6324 45 N 4.1170 9.5515 120.9278 54.9965 37.5704 174.3600 46 G 3.9919 8.2963 102.8305 45.1809 0.0000 174.8738 47 T 4.1659 7.7544 114.9801 62.6679 68.0462 174.9998 48 L 4.1903 7.6383 123.3542 54.7146 42.8716 175.2964 49 T 4.8704 8.6867 115.1329 59.5568 72.9740 172.2230 50 L 4.2082 8.4512 124.0427 54.8445 42.1196 176.1241 51 S 4.4303 9.0320 122.4820 60.4799 63.2022 173.4413 52 H 4.2474 7.0002 112.4224 55.0992 30.7510 173.6633 53 F 4.3530 8.8870 118.2053 58.2515 39.5486 175.8204 54 G 3.8727 8.3807 109.7402 44.3713 0.0000 173.2513 55 K 4.2735 7.9994 117.6524 55.8849 32.8215 178.3280 56 C 4.5306 8.8979 117.6410 57.5141 41.0778 173.9680 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 6 V 8.05 4.07 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 0.73 0.00 0.00 0.97 0.00 0.00 7 D 8.74 4.65 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.49 4.75 0.00 2.94 2.90 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 9 S 8.13 4.03 0.00 4.01 4.04 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 10 E 8.30 4.20 0.00 1.95 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 2.36 2.45 0.00 11 Y 7.97 4.16 0.00 3.34 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 12 P 0.00 5.06 0.00 2.19 2.09 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 13 K 8.96 4.52 0.00 1.65 1.59 0.00 0.76 0.00 0.00 1.49 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.03 0.61 7.81 14 P 0.00 3.97 0.00 2.16 2.18 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 15 A 7.31 4.76 1.17 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 0.00 0.00 16 C 8.41 5.10 0.00 2.99 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 17 T 8.52 4.23 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 1.24 0.00 0.00 18 D 8.36 4.96 0.00 2.71 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 19 E 7.99 4.49 0.00 2.13 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 0.00 2.30 2.28 0.00 20 Y 8.36 5.13 0.00 2.73 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 21 R 8.75 4.62 0.00 1.68 1.73 0.00 3.21 0.00 0.00 3.23 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 22 P 0.00 4.65 0.00 1.95 1.76 0.00 3.25 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.40 0.00 23 L 9.00 4.89 0.00 1.19 1.04 0.59 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.97 4.86 0.00 2.80 2.39 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 25 G 8.94 4.59 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 0.00 0.00 0.00 26 S 8.97 4.48 0.00 4.02 4.11 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 27 D 8.14 4.63 0.00 2.86 2.86 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 28 N 8.07 4.31 0.00 2.97 3.00 0.00 0.00 6.75 7.30 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 29 K 7.90 4.35 0.00 1.71 1.74 0.00 1.45 0.00 0.00 1.02 0.00 0.00 2.67 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.66 1.13 7.81 30 T 8.22 4.51 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 1.30 0.00 0.00 31 Y 9.00 4.25 0.00 3.26 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 32 G 9.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.75 4.84 0.00 3.01 3.08 0.00 0.00 6.34 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 34 K 8.31 3.84 0.00 1.84 1.92 0.00 1.84 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.52 1.50 7.81 35 C 8.29 4.72 0.00 3.23 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 36 N 8.54 4.38 0.00 3.23 3.08 0.00 0.00 6.68 8.29 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 37 F 8.75 3.37 0.00 2.91 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 38 C 8.55 3.83 0.00 1.74 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 0.00 0.00 0.00 39 N 7.95 4.30 0.00 2.92 2.90 0.00 0.00 6.77 6.37 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 40 A 7.65 3.91 1.17 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 0.00 0.00 41 V 6.95 3.17 1.79 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 0.80 0.00 0.00 0.03 0.00 0.00 42 V 7.59 3.48 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 0.94 0.00 0.00 1.01 0.00 0.00 43 E 8.06 3.38 0.00 2.08 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 0.00 2.31 2.32 0.00 44 S 7.68 4.43 0.00 4.03 3.96 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 N 9.55 4.12 0.00 2.73 2.91 0.00 0.00 7.41 7.86 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 46 G 8.30 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 47 T 7.75 4.17 4.44 0.00 0.00 0.00 0.00 0.00 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 48 L 7.64 4.19 0.00 1.49 1.28 0.98 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.69 4.87 4.26 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 1.21 0.00 0.00 50 L 8.45 4.21 0.00 1.19 1.30 -0.24 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.03 4.43 0.00 3.84 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 52 H 7.00 4.25 0.00 3.24 3.32 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.89 4.35 0.00 2.97 3.01 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 54 G 8.38 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.00 4.27 0.00 1.80 1.79 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.47 7.81 56 C 8.90 4.53 0.00 2.93 3.01 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