NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.3275 8.4444 120.2269 56.2134 30.1422 174.9969 9 L 3.9776 8.5678 127.1572 54.9681 42.5843 175.2827 10 T 4.6186 8.2441 107.9958 58.5807 71.9077 171.8640 11 P 4.0957 0.0000 0.0000 63.1221 31.7158 175.8102 12 A 4.4372 8.5464 126.1867 51.2302 19.3273 176.5214 13 V 4.6840 8.2088 116.1696 60.3448 34.2037 175.6652 14 T 4.6392 8.9052 120.2704 62.1290 71.7620 173.3011 15 T 4.9476 8.1739 120.7509 62.7980 69.8784 173.8566 16 Y 5.1137 9.5629 123.6037 56.2273 41.9712 174.7969 17 K 5.3582 9.5305 120.2588 54.7167 36.5234 175.0063 18 L 4.9923 8.8621 124.1585 53.2510 45.3419 175.0702 19 V 4.7402 8.8311 126.4483 61.2273 34.0861 174.1103 20 I 4.3778 8.9495 129.0390 59.5980 39.4269 174.5527 21 N 5.0085 9.0287 127.8743 51.4370 38.2680 173.1563 22 G 4.3408 8.2641 109.6876 43.5473 0.0000 171.3289 23 K 4.2068 10.4974 121.7585 59.0898 32.1518 177.7450 24 T 4.4489 7.7527 105.0905 61.1104 71.1240 173.4386 25 L 4.5511 7.6729 124.3971 53.3841 43.3226 175.1048 26 K 4.9898 8.7951 123.8322 55.1317 36.8128 176.4465 27 G 3.7309 6.9493 107.3651 44.6768 0.0000 171.8836 28 E 5.1589 8.2151 121.1334 55.1655 33.1514 175.3951 29 T 4.9046 8.7398 119.1871 60.9439 71.9015 171.7423 30 T 5.5095 8.2853 112.6363 60.8322 72.4886 172.5409 31 T 4.6913 8.9758 114.7417 60.9141 71.3131 172.0103 32 K 5.2578 8.5672 124.4870 54.7588 34.5195 175.3637 33 A 4.7059 8.9975 124.7792 50.5782 22.6864 177.6359 34 V 3.8164 8.5297 112.6230 64.1645 32.1822 176.5918 35 D 4.7895 7.5384 117.5901 51.1177 43.2870 175.8732 36 A 3.4080 8.5155 120.9534 54.9872 18.2398 179.6601 37 E 3.7760 7.9287 116.7040 59.8383 29.6102 179.4950 38 T 3.6918 8.1340 115.5035 66.4989 68.4948 176.6168 39 A 3.4334 7.3304 122.1641 54.6623 18.1619 179.2958 40 E 2.8507 7.7970 117.8073 59.0534 29.7225 179.1981 41 K 3.7396 7.6501 118.2231 59.3685 32.0774 179.2314 42 A 3.9181 7.6609 120.9809 55.0663 18.1554 179.7927 43 F 4.6849 7.9215 116.3288 60.7836 39.0063 178.1793 44 K 4.0092 8.2493 118.6336 59.2767 31.6861 179.2461 45 Q 3.9381 8.1451 119.8440 59.3186 29.0969 177.4043 46 Y 4.0773 8.2676 120.3372 60.7472 38.7336 178.0294 47 A 3.7561 8.4938 121.4875 55.1849 18.5368 178.9587 48 N 4.3035 8.2839 115.3326 57.1976 38.8370 176.5690 49 D 4.3726 8.1696 119.0853 57.1505 40.9175 177.7450 50 N 4.7166 7.4618 113.7689 52.2836 38.6687 175.3843 51 G 3.8016 7.9533 108.1110 46.2662 0.0000 173.5782 52 V 4.3843 7.9448 119.8370 60.8067 33.3935 174.7560 53 D 4.8702 8.3525 126.6671 52.8593 45.0265 174.8171 54 G 4.2095 8.3451 108.1460 46.9539 0.0000 172.4006 55 V 4.7842 7.9910 115.1916 59.7266 34.0989 175.5119 56 W 5.5144 8.9847 122.8444 55.2374 32.8316 174.5531 57 T 5.0161 9.2435 111.0430 60.4893 72.2863 172.0690 58 Y 5.0583 8.4203 122.1930 56.0220 42.8583 172.9008 59 D 4.5537 8.2578 126.0553 52.2222 42.9657 176.2946 60 D 4.1589 8.5814 125.1438 56.0490 41.7817 177.1109 61 A 4.0730 8.2465 122.2801 54.5915 18.3435 178.1442 62 T 4.3030 7.6058 102.3463 60.4965 69.9917 174.1399 63 K 4.0481 7.8894 121.4955 58.4113 30.4921 174.5799 64 T 5.2866 7.4417 113.1713 61.9546 72.2971 174.0380 65 F 5.5485 9.7425 124.9148 56.3874 42.0326 174.9472 66 T 5.2260 9.2744 118.1184 61.7127 72.5795 173.2686 67 V 4.0052 8.4257 124.5779 59.7898 34.5610 174.4340 68 T 4.7913 8.4138 120.9292 61.4725 70.8819 173.3265 69 E 4.4928 8.9440 128.6445 56.3898 30.6583 175.6558 70 M 4.6159 8.1266 125.2010 53.5122 33.5672 176.5968 71 V 3.6806 8.4668 117.6972 61.4907 32.4483 176.1286 72 T 4.3766 8.3662 121.0772 62.0471 68.5762 173.7078 73 E 4.6893 8.4335 123.9073 54.4484 32.1761 175.6667 74 V 4.4453 7.7630 112.1431 58.6741 34.2853 174.3165 75 P 4.4953 0.0000 0.0000 62.9750 32.2575 176.9601 76 V 4.4496 7.7722 117.0704 60.6037 31.2007 175.2988 77 A 4.1529 7.8235 125.8539 53.2105 18.2933 177.7192 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 8 E 8.44 4.33 0.00 1.98 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 2.22 2.31 0.00 9 L 8.57 3.98 0.00 1.67 1.68 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.24 4.62 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 1.21 0.00 0.00 11 P 0.00 4.10 0.00 2.06 2.06 0.00 3.67 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 2.03 2.10 0.00 12 A 8.55 4.44 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 0.00 0.00 0.00 0.00 0.00 13 V 8.21 4.68 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 0.76 0.00 0.00 0.94 0.00 0.00 14 T 8.91 4.64 4.17 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 0.62 0.00 0.00 15 T 8.17 4.95 4.20 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 0.00 0.00 0.00 1.25 0.00 0.00 16 Y 9.56 5.11 0.00 3.14 3.43 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 17 K 9.53 5.36 0.00 1.78 1.73 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.46 7.81 18 L 8.86 4.99 0.00 0.27 0.65 0.78 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.83 4.74 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 0.96 0.00 0.00 0.92 0.00 0.00 20 I 8.95 4.38 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.92 0.92 0.00 0.00 21 N 9.03 5.01 0.00 2.69 2.71 0.00 0.00 6.49 8.39 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 22 G 8.26 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 10.50 4.21 0.00 1.74 1.87 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.36 7.81 24 T 7.75 4.45 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 1.20 0.00 0.00 25 L 7.67 4.55 0.00 1.66 1.53 0.82 0.41 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 26 K 8.80 4.99 0.00 1.71 1.62 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.40 7.81 27 G 6.95 3.73 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 0.00 0.00 0.00 28 E 8.22 5.16 0.00 1.92 1.76 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 2.18 2.47 0.00 29 T 8.74 4.90 4.14 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 0.00 0.00 0.00 0.80 0.00 0.00 30 T 8.29 5.51 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 1.28 0.00 0.00 31 T 8.98 4.69 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 0.53 0.00 0.00 32 K 8.57 5.26 0.00 1.66 1.72 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.43 7.81 33 A 9.00 4.71 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.53 3.82 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 0.76 0.00 0.00 0.92 0.00 0.00 35 D 7.54 4.79 0.00 2.92 2.77 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 0.00 0.00 0.00 36 A 8.52 3.41 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 37 E 7.93 3.78 0.00 1.89 1.91 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 2.34 2.29 0.00 38 T 8.13 3.69 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 1.09 0.00 0.00 39 A 7.33 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 7.80 2.85 0.00 2.01 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 0.00 1.91 2.05 0.00 41 K 7.65 3.74 0.00 1.88 1.71 0.00 1.43 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.38 7.81 42 A 7.66 3.92 1.06 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 0.00 0.00 43 F 7.92 4.68 0.00 2.77 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 44 K 8.25 4.01 0.00 1.56 1.65 0.00 1.15 0.00 0.00 1.09 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.38 7.81 45 Q 8.15 3.94 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.54 2.37 0.00 46 Y 8.27 4.08 0.00 3.31 3.44 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 0.00 47 A 8.49 3.76 1.65 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 0.00 0.00 48 N 8.28 4.30 0.00 2.95 2.93 0.00 0.00 7.30 7.84 0.00 0.00 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 D 8.17 4.37 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.46 4.72 0.00 2.48 2.63 0.00 0.00 7.04 8.02 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 51 G 7.95 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.38 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 0.71 0.00 0.00 0.86 0.00 0.00 53 D 8.35 4.87 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 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 0.00 0.00 0.00 0.00 55 V 7.99 4.78 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 0.77 0.00 0.00 0.98 0.00 0.00 56 W 8.98 5.51 0.00 3.18 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 57 T 9.24 5.02 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 1.26 0.00 0.00 58 Y 8.42 5.06 0.00 2.78 2.72 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 59 D 8.26 4.55 0.00 2.47 2.22 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.58 4.16 0.00 2.68 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 61 A 8.25 4.07 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 0.00 0.00 0.00 0.00 0.00 62 T 7.61 4.30 4.20 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 0.00 0.00 0.00 1.15 0.00 0.00 63 K 7.89 4.05 0.00 1.92 1.80 0.00 1.48 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.36 7.81 64 T 7.44 5.29 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 65 F 9.74 5.55 0.00 3.09 3.38 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 66 T 9.27 5.23 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 1.20 0.00 0.00 67 V 8.43 4.01 0.67 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 0.39 0.00 0.00 -0.07 0.00 0.00 68 T 8.41 4.79 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 1.21 0.00 0.00 69 E 8.94 4.49 0.00 1.89 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 0.00 2.29 2.44 0.00 70 M 8.13 4.62 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 71 V 8.47 3.68 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 0.69 0.00 0.00 0.92 0.00 0.00 72 T 8.37 4.38 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 1.21 0.00 0.00 73 E 8.43 4.69 0.00 2.04 1.92 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 2.18 2.29 0.00 74 V 7.76 4.45 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 0.76 0.00 0.00 0.93 0.00 0.00 75 P 0.00 4.50 0.00 2.04 1.98 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 76 V 7.77 4.45 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 0.74 0.00 0.00 0.93 0.00 0.00 77 A 7.82 4.15 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 0.00 0.00 0.00 0.00 0.00