NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.3338 8.4449 117.8292 55.4040 29.5267 174.6433 3 Y 4.6532 8.6793 122.8688 55.5559 41.8563 171.7073 4 E 4.1263 9.5902 121.5872 57.0344 30.8992 176.4302 5 E 4.6258 8.7567 120.7718 55.2730 33.1095 175.7995 6 G 3.8420 8.8263 106.3492 43.6481 0.0000 170.8754 7 P 4.1707 0.0000 0.0000 64.3667 31.3141 176.9949 8 G 3.8336 8.9192 110.2571 45.8083 0.0000 173.7498 9 K 4.4221 8.0892 118.1139 55.8488 34.2109 176.5062 10 N 4.8114 8.0749 115.3050 52.1801 37.5249 174.4063 11 I 4.4098 7.0434 111.8773 58.7563 39.9210 174.0892 12 P 4.5151 0.0000 0.0000 63.4004 31.1061 175.4446 13 F 4.9602 7.0738 113.1009 55.1935 40.9466 173.8050 14 S 4.5388 8.5696 115.5985 57.3356 63.2405 174.0473 15 V 4.4306 7.9867 118.9007 61.1199 32.1844 176.3752 16 E 3.9705 8.0089 123.8586 58.0940 29.8099 177.0834 17 N 4.9249 7.8568 117.1269 50.9619 41.6567 174.8697 18 K 3.9216 8.3932 128.0196 59.5427 32.5711 179.1654 19 W 4.4733 7.9963 120.2787 59.6013 29.0787 178.5707 20 R 3.9892 8.3249 118.2651 59.1773 29.5085 177.9341 21 L 3.9458 8.5436 120.6087 58.0771 42.0457 178.7296 22 L 3.9395 7.9488 119.8106 58.1839 42.0626 178.7413 23 A 4.0537 8.1758 120.5902 55.4662 18.2739 179.4711 24 M 3.9676 8.3356 117.3819 58.9587 32.0952 178.9927 25 M 3.8746 8.2530 119.0163 58.5353 31.9912 178.9903 26 T 3.9946 8.4878 116.3233 66.5612 68.6525 176.7415 27 L 3.9801 8.1226 120.8488 58.1994 41.6011 178.6352 28 F 4.0485 8.4988 120.5961 62.2009 39.1756 177.2155 29 F 4.4629 8.5040 116.8629 60.3964 38.9181 178.0736 30 G 3.8080 8.5720 106.1590 47.7202 0.0000 175.8672 31 S 4.2199 8.6709 117.2287 61.3335 62.8634 176.9147 32 G 3.6231 7.5552 108.5508 47.0934 0.0000 175.1078 33 F 4.6343 8.1739 121.8899 61.1748 39.6856 176.9767 34 A 4.3988 8.4221 119.6942 54.1167 18.1579 179.1538 35 A 4.0589 7.8191 120.1847 55.1286 18.3511 177.8561 36 P 4.0645 0.0000 0.0000 65.9086 31.5224 178.6622 37 F 3.8091 7.9109 115.7806 60.4684 38.6867 177.2721 38 F 4.2278 8.1040 116.7705 59.5521 39.0811 178.2573 39 I 3.8336 8.0639 119.9015 64.1014 36.8481 178.6490 40 V 3.4886 8.0516 119.4856 66.0956 31.5876 177.9662 41 R 3.8565 7.7263 117.9682 59.6312 29.8470 177.8696 42 H 4.1822 8.7207 118.2169 59.5769 29.7738 177.4343 43 Q 3.9993 8.2799 118.3412 58.4655 28.5137 178.2343 44 L 4.2304 7.7078 119.1546 56.4753 41.9652 178.0595 45 L 4.3915 7.4051 116.1120 55.1424 41.9745 178.1292 46 K 4.1761 7.4066 118.3294 56.9031 32.4350 176.5639 47 K 3.9392 7.7843 123.4108 57.2751 32.5615 173.7096 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 H 8.44 4.33 0.00 3.00 2.74 0.00 5.80 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.68 4.65 0.00 3.06 2.85 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 4 E 9.59 4.13 0.00 1.98 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 2.35 2.29 0.00 5 E 8.76 4.63 0.00 1.91 1.81 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 2.22 2.48 0.00 6 G 8.83 3.84 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 0.00 0.00 0.00 7 P 0.00 4.17 0.00 2.02 2.02 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 8 G 8.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.09 4.42 0.00 1.83 1.79 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.45 7.81 10 N 8.07 4.81 0.00 2.78 2.86 0.00 0.00 5.83 7.81 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 11 I 7.04 4.41 0.89 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.48 0.71 0.00 0.00 12 P 0.00 4.52 0.00 2.22 2.18 0.00 3.70 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 2.26 2.01 0.00 13 F 7.07 4.96 0.00 2.98 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.57 4.54 0.00 3.84 3.81 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 15 V 7.99 4.43 2.04 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 0.78 0.00 0.00 0.81 0.00 0.00 16 E 8.01 3.97 0.00 1.83 1.97 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 2.31 2.29 0.00 17 N 7.86 4.92 0.00 2.78 2.66 0.00 0.00 6.97 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.39 3.92 0.00 1.51 1.71 0.00 0.68 0.00 0.00 1.04 0.00 0.00 2.71 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.68 0.21 7.81 19 W 8.00 4.47 0.00 3.68 3.27 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 20 R 8.32 3.99 0.00 1.95 1.97 0.00 3.22 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 21 L 8.54 3.95 0.00 1.82 1.72 1.12 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.95 3.94 0.00 2.04 2.04 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.18 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 M 8.34 3.97 0.00 1.89 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.87 0.00 25 M 8.25 3.87 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.29 0.00 26 T 8.49 3.99 4.56 0.00 0.00 0.00 0.00 0.00 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 27 L 8.12 3.98 0.00 1.90 1.73 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.50 4.05 0.00 2.79 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 29 F 8.50 4.46 0.00 3.36 2.99 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 30 G 8.57 3.81 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 0.00 0.00 0.00 31 S 8.67 4.22 0.00 3.98 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 32 G 7.56 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 33 F 8.17 4.63 0.00 3.10 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 34 A 8.42 4.40 1.55 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 35 A 7.82 4.06 1.38 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 0.00 0.00 36 P 0.00 4.06 0.00 1.61 1.85 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 37 F 7.91 3.81 0.00 3.29 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 38 F 8.10 4.23 0.00 3.23 3.14 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 0.00 39 I 8.06 3.83 1.99 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 1.42 0.84 0.92 0.00 0.00 40 V 8.05 3.49 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 0.93 0.00 0.00 0.81 0.00 0.00 41 R 7.73 3.86 0.00 1.79 1.95 0.00 2.99 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 42 H 8.72 4.18 0.00 3.33 3.50 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.28 4.00 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 44 L 7.71 4.23 0.00 1.77 1.70 0.89 0.72 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 45 L 7.41 4.39 0.00 1.72 1.70 0.94 0.68 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 46 K 7.41 4.18 0.00 1.78 1.81 0.00 1.48 0.00 0.00 1.48 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.39 7.81 47 K 7.78 3.94 0.00 1.74 1.66 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.16 1.17 7.81