NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2662 8.4444 120.2318 56.2210 30.9566 175.1852 3 S 4.3469 8.4786 118.8998 56.2114 63.6309 173.2160 4 F 4.0756 9.0593 131.5529 61.4192 39.7896 176.1032 5 L 3.8342 8.1563 119.4233 58.1880 41.8684 178.4951 6 L 3.9858 7.9306 120.3558 58.1456 41.9750 179.1367 7 S 4.8718 7.7694 115.1931 60.7844 62.9410 176.7041 8 K 3.7796 7.5442 121.6262 59.0751 31.7245 179.4457 9 V 3.6504 7.8881 118.7627 66.1644 31.4594 178.3116 10 S 4.1596 8.3217 114.0564 61.1221 62.8450 176.0193 11 F 3.9041 8.2507 124.4632 61.3332 39.1343 177.3813 12 V 3.5713 7.9557 117.7358 65.6889 31.2069 177.9606 13 I 3.8168 8.0006 119.8588 64.3358 36.9607 178.1639 14 K 4.0293 8.0317 121.7272 58.7615 31.9897 178.6630 15 K 3.7019 7.7880 119.7541 59.5939 32.1270 178.9127 16 I 3.7136 7.7982 120.0955 64.0353 36.9972 178.1781 17 R 3.8429 8.0434 119.7130 59.6990 29.9148 178.5943 18 L 3.9907 8.0257 118.5849 57.7499 41.3421 179.3262 19 E 3.9841 8.0288 117.6845 59.3114 29.5573 178.9337 20 K 4.2972 8.4847 115.6147 56.2487 32.1975 177.5182 21 G 3.8883 7.7879 107.2685 46.6060 0.0000 173.5067 22 M 4.6580 7.8464 118.4555 53.6971 33.8796 176.9027 23 T 4.3861 9.1354 113.4306 60.8113 71.7913 176.0966 24 Q 4.0245 8.4423 119.4957 59.1289 28.5560 178.9414 25 E 4.0449 8.1383 119.2097 59.4413 29.5801 178.8531 26 D 4.4225 8.0445 119.0076 57.3816 40.8893 178.6998 27 L 4.0083 7.9597 120.6123 57.8615 42.2008 178.6600 28 A 4.0296 8.4625 121.3020 55.4224 18.4919 179.0226 29 Y 4.0332 8.2761 118.0251 60.8661 38.7414 178.2438 30 K 3.9056 8.1219 117.4835 58.3292 32.2756 178.5071 31 S 4.4588 7.5621 113.2420 57.3476 63.5745 173.7543 32 N 4.1489 7.4492 116.4907 54.3071 36.3322 173.7778 33 L 4.7571 7.4536 115.7763 52.4836 45.1826 176.5669 34 D 4.6072 8.2651 118.7520 53.8202 43.1293 176.9340 35 R 3.9922 8.6936 125.3681 59.9577 30.1140 179.4555 36 T 3.8857 8.1101 108.7460 64.8860 68.5707 175.7473 37 Y 4.0911 7.9985 121.9307 60.4472 38.9561 177.7039 38 I 3.6292 7.7552 120.3760 64.4152 36.8066 178.0066 39 S 4.2758 8.3430 114.4210 61.7340 62.0692 176.6895 40 G 3.5519 8.3227 108.3185 47.7538 0.0000 175.7373 41 I 3.5534 7.6779 122.2974 64.1888 37.1697 178.3231 42 E 4.1035 8.3025 118.7699 58.4053 29.0308 178.3800 43 R 4.4113 7.3096 115.7742 54.8154 31.2775 175.6655 44 N 4.2011 8.0807 116.2188 54.7908 36.5800 175.2230 45 S 4.5831 8.3759 106.7035 57.6365 64.3918 173.9735 46 R 4.6207 7.6190 117.9247 54.9382 33.7111 174.3899 47 N 4.7198 8.5934 119.8654 52.6905 40.1624 173.9738 48 L 4.9003 8.3361 122.3767 51.6537 44.8739 176.9017 49 T 4.4279 8.4033 116.5809 60.8921 71.6068 175.7107 50 I 3.7521 8.1519 121.7568 64.4533 37.1634 178.8549 51 K 4.0135 8.0200 118.9482 59.5466 31.8289 179.4491 52 S 4.1629 8.1953 115.5961 61.3294 62.7205 176.3005 53 L 3.8373 8.1165 123.2332 58.1888 41.8112 178.7419 54 E 3.8914 8.2653 119.1717 59.1174 29.5555 178.8117 55 L 3.9573 7.7727 118.9965 57.6680 41.5766 179.4814 56 I 3.6679 7.9341 120.0632 64.8006 37.1046 178.4213 57 M 3.8871 8.2021 119.7936 58.0529 31.7231 178.8523 58 K 3.9976 8.0207 119.9811 59.5047 32.2094 179.2331 59 G 3.6210 7.9359 104.6868 47.4655 0.0000 174.9759 60 L 4.1955 8.1185 119.2497 54.3033 42.6500 176.3197 61 E 3.8147 7.8893 117.7487 57.6458 27.3812 174.7923 62 V 4.5094 7.6613 116.2628 59.2743 34.6897 176.5747 63 S 4.4920 8.3474 117.0785 57.7709 65.3932 175.1378 64 D 4.3870 8.5723 122.3016 57.6860 40.6019 179.1251 65 V 3.7790 7.9558 118.0741 66.1801 31.5167 177.9805 66 V 3.5934 7.7970 117.6507 65.9135 31.3986 177.4935 67 F 3.8206 8.2271 120.3231 61.5991 39.1316 177.1746 68 F 4.4209 8.4302 116.7784 60.0064 38.8365 177.5187 69 E 3.9862 8.6477 119.8922 59.5323 29.4427 178.7493 70 M 4.0512 8.0358 118.8773 57.8557 31.9111 178.4162 71 L 3.7860 7.6629 120.6005 58.1933 42.2945 178.9421 72 I 3.7016 7.9168 119.7799 64.4041 36.8663 178.1283 73 K 3.8546 7.6522 118.5766 59.5999 32.1411 178.0279 74 E 3.9820 8.1147 119.3556 59.4203 29.3728 178.8944 75 I 3.8514 7.9661 118.9804 64.0559 37.1062 177.9364 76 L 4.4521 7.5549 116.2684 53.9659 41.1563 176.4561 77 K 4.4782 7.2788 119.4661 54.7213 34.1748 175.8135 78 H 4.3410 8.8940 122.6471 56.3676 29.8202 174.6428 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 E 8.44 4.27 0.00 2.00 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 2.23 2.27 0.00 3 S 8.48 4.35 0.00 4.01 3.77 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 4 F 9.06 4.08 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 5 L 8.16 3.83 0.00 1.88 1.71 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.93 3.99 0.00 1.84 1.80 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.77 4.87 0.00 4.05 4.05 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 0.00 0.00 0.00 0.00 8 K 7.54 3.78 0.00 1.73 1.72 0.00 1.38 0.00 0.00 1.20 0.00 0.00 2.41 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.70 1.02 7.81 9 V 7.89 3.65 2.26 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 1.20 0.00 0.00 1.10 0.00 0.00 10 S 8.32 4.16 0.00 4.19 4.09 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 11 F 8.25 3.90 0.00 3.30 3.24 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 12 V 7.96 3.57 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 0.19 0.00 0.00 0.89 0.00 0.00 13 I 8.00 3.82 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.88 0.91 0.00 0.00 14 K 8.03 4.03 0.00 1.78 1.62 0.00 1.56 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.40 7.81 15 K 7.79 3.70 0.00 1.54 1.76 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.35 7.81 16 I 7.80 3.71 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.44 0.94 0.00 0.00 17 R 8.04 3.84 0.00 1.93 2.09 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 18 L 8.03 3.99 0.00 1.79 1.65 0.84 0.81 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 19 E 8.03 3.98 0.00 2.15 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 2.32 0.00 20 K 8.48 4.30 0.00 1.67 1.85 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.75 7.81 21 G 7.79 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 0.00 0.00 0.00 22 M 7.85 4.66 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.47 0.00 23 T 9.14 4.39 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 1.24 0.00 0.00 24 Q 8.44 4.02 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 25 E 8.14 4.04 0.00 2.06 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 2.40 2.48 0.00 26 D 8.04 4.42 0.00 3.02 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 27 L 7.96 4.01 0.00 1.79 1.82 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.46 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.28 4.03 0.00 3.02 3.24 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 30 K 8.12 3.91 0.00 1.97 1.82 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.79 1.68 7.81 31 S 7.56 4.46 0.00 3.85 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 32 N 7.45 4.15 0.00 2.88 2.84 0.00 0.00 6.78 7.73 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 33 L 7.45 4.76 0.00 1.70 1.66 1.08 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.27 4.61 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.69 3.99 0.00 1.92 2.01 0.00 3.20 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 36 T 8.11 3.89 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 37 Y 8.00 4.09 0.00 3.05 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 38 I 7.76 3.63 2.03 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 1.68 1.07 0.90 0.00 0.00 39 S 8.34 4.28 0.00 3.97 4.06 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 40 G 8.32 3.55 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 0.00 0.00 0.00 41 I 7.68 3.55 1.79 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.48 0.81 0.00 0.00 42 E 8.30 4.10 0.00 1.98 1.95 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 2.28 2.46 0.00 43 R 7.31 4.41 0.00 1.90 1.94 0.00 3.31 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 44 N 8.08 4.20 0.00 2.91 2.84 0.00 0.00 6.47 7.32 0.00 0.00 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 S 8.38 4.58 0.00 3.91 3.86 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 46 R 7.62 4.62 0.00 1.50 1.73 0.00 3.39 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 47 N 8.59 4.72 0.00 2.71 2.75 0.00 0.00 6.74 7.78 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 48 L 8.34 4.90 0.00 1.56 1.50 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.40 4.43 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 1.24 0.00 0.00 50 I 8.15 3.75 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.16 0.95 0.00 0.00 51 K 8.02 4.01 0.00 1.79 1.84 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.53 7.81 52 S 8.20 4.16 0.00 4.13 4.09 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 53 L 8.12 3.84 0.00 1.82 1.81 0.56 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.27 3.89 0.00 2.22 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 0.00 2.27 2.32 0.00 55 L 7.77 3.96 0.00 1.93 1.80 0.88 0.78 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 56 I 7.93 3.67 1.91 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 1.53 0.83 0.86 0.00 0.00 57 M 8.20 3.89 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.75 0.00 58 K 8.02 4.00 0.00 1.93 1.94 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.42 7.81 59 G 7.94 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 4.20 0.00 1.76 1.74 0.97 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.89 3.81 0.00 2.14 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 2.25 2.32 0.00 62 V 7.66 4.51 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 0.82 0.00 0.00 1.00 0.00 0.00 63 S 8.35 4.49 0.00 4.11 4.06 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 64 D 8.57 4.39 0.00 2.88 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 65 V 7.96 3.78 2.16 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 1.19 0.00 0.00 1.01 0.00 0.00 66 V 7.80 3.59 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 0.96 0.00 0.00 0.96 0.00 0.00 67 F 8.23 3.82 0.00 3.14 2.84 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 0.00 0.00 0.00 0.00 68 F 8.43 4.42 0.00 3.24 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 69 E 8.65 3.99 0.00 2.31 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 2.33 2.40 0.00 70 M 8.04 4.05 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.49 0.00 71 L 7.66 3.79 0.00 1.64 1.92 0.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.92 3.70 2.04 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 1.46 0.61 0.94 0.00 0.00 73 K 7.65 3.85 0.00 1.96 1.90 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 74 E 8.11 3.98 0.00 2.27 1.95 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 2.27 2.06 0.00 75 I 7.97 3.85 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.72 1.06 0.00 0.00 76 L 7.55 4.45 0.00 1.79 1.69 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.28 4.48 0.00 1.58 1.65 0.00 1.55 0.00 0.00 1.60 0.00 0.00 3.19 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.30 7.81 78 H 8.89 4.34 0.00 3.12 3.13 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00