NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7144 8.2833 119.2044 53.4153 40.5125 176.4271 2 Q 3.6151 8.1255 118.7318 58.0335 28.8621 176.2548 3 K 3.8916 8.3386 119.5997 59.8346 32.4964 178.4748 4 Q 3.9804 7.9559 118.3104 59.0508 29.0145 177.8710 5 I 3.6704 7.4518 120.3054 64.5193 37.2085 177.9788 6 A 3.9667 8.7505 122.5624 55.5496 18.2063 179.1675 7 N 4.3156 8.2011 115.0882 57.0106 39.1322 177.0733 8 Q 4.0612 8.8063 119.7802 58.8394 28.7771 178.6424 9 F 4.1664 8.8426 122.0160 61.3439 39.4304 176.9669 10 N 4.2318 8.8075 116.5129 56.2177 38.2343 177.2864 11 K 3.8094 8.4343 120.0575 59.5632 32.1050 179.1167 12 A 3.9072 7.7756 120.4202 55.2359 18.2521 179.5946 13 I 3.4059 7.3614 118.2370 64.6578 37.2307 178.6055 14 S 4.3305 7.9920 117.2128 61.2017 62.6603 176.9148 15 Q 4.0456 7.7029 120.4041 58.7211 28.5588 178.6008 16 I 3.7606 8.0597 121.3577 64.2574 36.6909 178.4381 17 Q 3.9683 8.4018 119.4558 58.9554 28.5725 178.4435 18 E 4.0112 8.1094 120.2411 59.2235 29.5812 179.0600 19 S 4.1566 8.0786 114.4761 61.2262 63.0860 176.5805 20 L 3.9761 8.0602 122.8915 57.8275 41.3275 179.5794 21 T 4.0742 7.7007 110.6435 64.4086 68.6828 176.7575 22 T 3.8328 7.8619 118.5009 66.7489 68.4663 176.7061 23 T 3.8716 8.2977 118.1958 66.6291 68.0494 176.8510 24 S 4.1179 8.5020 116.5966 61.8595 62.8866 176.6776 25 T 3.8498 8.2871 119.3825 66.2336 68.1522 176.4358 26 A 3.9867 8.0414 122.6455 55.1829 18.3310 179.6687 27 L 4.0317 8.2127 117.7321 57.8145 41.6592 179.9228 28 G 3.6411 8.1919 105.6547 47.8915 0.0000 175.9247 29 K 4.0577 7.9302 120.9579 58.9825 32.0856 179.5988 30 L 4.0134 8.1262 119.4778 57.7685 41.5421 179.2774 31 Q 3.9597 8.4470 119.9191 59.0773 28.9213 177.9450 32 D 4.3298 8.0522 119.9996 57.5793 40.8551 179.1277 33 V 3.7853 7.6670 118.1685 65.8889 31.6121 178.1626 34 V 3.5717 7.9730 118.1577 66.1384 31.3573 177.7649 35 N 4.4533 8.2696 116.1493 56.0914 38.4425 177.5168 36 Q 4.3188 8.4442 121.4215 58.4960 28.9093 178.3542 37 N 4.4919 8.5172 117.0922 55.4039 38.6299 177.2353 38 A 4.1427 7.7810 122.4162 54.5373 18.4332 179.5287 39 Q 3.9120 8.1849 116.1957 59.3493 28.6325 178.5818 40 A 3.9939 7.9821 122.8960 54.9254 18.3258 179.1117 41 L 3.8395 7.7857 118.1993 58.4456 42.3124 178.6999 42 N 4.2473 8.3376 116.6628 56.7405 38.5316 177.5070 43 T 3.9856 8.2772 111.4504 64.4915 68.9264 176.7111 44 L 3.9642 7.8661 123.3086 57.7903 42.1098 179.1240 45 V 3.5504 8.0900 118.5965 65.7564 31.2625 177.8438 46 K 3.9043 7.6508 117.7632 59.7411 32.1089 178.2738 47 Q 4.1417 7.9168 116.9905 58.9976 28.6677 178.8226 48 L 4.1438 7.9569 119.1119 57.7608 41.9049 177.8438 49 S 4.4275 7.9449 118.1081 59.0465 63.0150 174.2091 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 N 8.28 4.71 0.00 2.74 2.84 0.00 0.00 7.09 6.24 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 2 Q 8.13 3.62 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 3 K 8.34 3.89 0.00 1.79 1.89 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.53 7.81 4 Q 7.96 3.98 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 5 I 7.45 3.67 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.44 0.91 0.00 0.00 6 A 8.75 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.20 4.32 0.00 3.11 2.92 0.00 0.00 7.33 7.28 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 8 Q 8.81 4.06 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 9 F 8.84 4.17 0.00 3.00 3.26 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 10 N 8.81 4.23 0.00 2.95 2.86 0.00 0.00 7.06 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 11 K 8.43 3.81 0.00 1.74 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.56 7.81 12 A 7.78 3.91 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 13 I 7.36 3.41 1.68 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 -0.06 0.77 0.00 0.00 14 S 7.99 4.33 0.00 4.08 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 15 Q 7.70 4.05 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.67 0.00 16 I 8.06 3.76 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 0.87 0.00 0.00 17 Q 8.40 3.97 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 18 E 8.11 4.01 0.00 2.10 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 0.00 2.29 2.35 0.00 19 S 8.08 4.16 0.00 4.09 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 20 L 8.06 3.98 0.00 1.86 1.74 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.70 4.07 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 22 T 7.86 3.83 4.48 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 1.20 0.00 0.00 23 T 8.30 3.87 4.41 0.00 0.00 0.00 0.00 0.00 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 24 S 8.50 4.12 0.00 3.99 4.12 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 25 T 8.29 3.85 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 26 A 8.04 3.99 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.21 4.03 0.00 1.88 1.73 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.19 3.64 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 0.00 0.00 0.00 29 K 7.93 4.06 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.69 7.81 30 L 8.13 4.01 0.00 1.85 1.71 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.45 3.96 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 32 D 8.05 4.33 0.00 2.95 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 33 V 7.67 3.79 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 1.08 0.00 0.00 0.93 0.00 0.00 34 V 7.97 3.57 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 0.97 0.00 0.00 0.99 0.00 0.00 35 N 8.27 4.45 0.00 2.89 2.84 0.00 0.00 7.03 7.62 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 36 Q 8.44 4.32 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.49 2.26 0.00 37 N 8.52 4.49 0.00 2.79 2.86 0.00 0.00 6.88 8.66 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 38 A 7.78 4.14 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.18 3.91 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 40 A 7.98 3.99 1.37 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 0.00 0.00 41 L 7.79 3.84 0.00 1.85 1.80 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.34 4.25 0.00 2.85 2.88 0.00 0.00 6.92 7.18 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 43 T 8.28 3.99 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 1.24 0.00 0.00 44 L 7.87 3.96 0.00 1.80 2.00 0.92 0.90 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 45 V 8.09 3.55 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 0.94 0.00 0.00 0.97 0.00 0.00 46 K 7.65 3.90 0.00 1.81 1.94 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 47 Q 7.92 4.14 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 48 L 7.96 4.14 0.00 1.61 1.72 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.94 4.43 0.00 3.84 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