NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3023 8.2644 123.5813 51.2787 20.4184 176.9937 2 K 3.8749 8.6088 121.5981 54.2651 33.7317 173.2312 3 T 3.4374 7.9120 114.5988 62.2066 68.5846 170.1345 4 I 4.7332 8.7271 119.5420 59.5970 41.5844 173.8092 5 K 5.0866 9.0599 123.1081 55.3423 34.7700 175.7894 6 I 4.9888 8.4931 123.1642 60.2902 41.6633 174.4250 7 T 4.9343 8.8292 122.6761 61.8435 72.4907 175.4957 8 Q 3.7646 8.8059 122.7083 58.7597 29.1098 178.7406 9 T 3.7316 9.0846 112.2459 62.6442 67.5243 171.5473 10 R 4.5829 8.1009 118.4665 54.5657 33.3607 174.2922 11 S 4.2149 8.7088 118.5444 59.0164 62.7911 173.6327 12 A 4.8086 8.2288 126.2306 52.0194 19.0512 178.3655 13 I 3.9838 6.7536 122.2155 65.0001 37.7849 177.9392 14 G 3.9545 7.9094 108.8204 46.3600 0.0000 173.6026 15 R 4.3915 8.0797 119.1574 54.7687 31.3220 177.1811 16 L 4.1818 8.2003 119.5027 54.1922 43.5305 176.8219 17 P 4.3060 0.0000 0.0000 65.5115 31.3242 179.1786 18 K 3.9283 8.0232 116.9217 59.8510 32.0204 178.6006 19 H 4.2834 8.1424 115.7354 59.2052 28.7110 177.3522 20 K 3.8913 8.2711 119.6936 59.5900 31.4715 178.9815 21 A 4.0244 8.5598 121.3613 55.4458 18.1158 179.9015 22 T 3.9393 7.7560 114.1569 66.7117 68.7335 176.9109 23 L 3.8893 7.9674 120.8573 57.9525 41.4889 179.6720 24 L 4.0238 8.0497 120.1366 58.2280 41.9294 179.3859 25 G 3.5834 7.5774 103.2197 47.4162 0.0000 175.3503 26 L 4.2032 8.0525 120.7084 55.5897 41.6229 178.3166 27 G 3.8824 8.0266 106.0004 45.4754 0.0000 173.2539 28 L 4.2151 7.5505 120.2118 54.6523 41.8166 177.1565 29 R 4.2050 8.5660 123.0928 58.2094 30.8242 176.5329 30 R 4.6035 7.3572 113.3227 54.3763 34.1765 174.4166 31 I 3.5989 8.3204 112.9699 62.6047 38.1956 176.1296 32 G 3.9304 8.5337 110.0930 47.0914 0.0000 172.3776 33 H 4.5161 8.1650 118.0697 57.1649 31.3596 171.6339 34 T 3.8150 8.2589 121.3416 62.2843 68.7558 171.2981 35 V 4.3373 7.5715 121.6468 60.9840 34.5018 171.3561 36 E 5.2467 8.7533 121.5639 54.8851 31.5434 175.6461 37 R 4.7723 8.8699 122.4084 54.1236 35.0304 174.6802 38 E 4.3947 8.7388 120.8854 55.9231 30.4426 176.3217 39 D 4.6311 8.3703 121.2997 54.7587 41.7635 177.1276 40 T 4.0881 7.6806 112.1230 61.0689 69.5993 171.4871 41 P 4.2562 0.0000 0.0000 65.8198 31.0615 178.7829 42 A 3.9797 7.9527 119.1614 55.2130 18.4419 179.5014 43 I 3.7905 7.6745 110.8721 63.6837 37.9996 178.0811 44 R 4.0394 8.5183 121.1301 58.8567 29.8013 178.8395 45 G 3.5434 7.9986 105.9873 47.9975 0.0000 175.5309 46 M 4.0738 7.4751 120.0398 58.1483 32.3783 178.7018 47 I 3.7713 7.6674 119.6396 64.5396 37.2329 177.9758 48 N 4.2880 8.1995 117.4738 56.6637 38.3985 176.6443 49 A 4.1495 7.8777 121.5943 54.1273 18.7250 178.5157 50 V 4.0153 7.4108 110.0005 60.7894 32.9832 178.1744 51 S 4.0133 7.7480 116.9754 61.5794 62.4601 176.6273 52 F 4.4414 8.1957 114.2433 58.2924 37.4591 174.6972 53 M 4.8991 7.2580 119.3154 54.6413 31.3854 175.4887 54 V 4.6641 7.7684 110.1085 60.9856 36.4723 174.0126 55 K 4.7072 8.6541 124.2843 54.5837 34.7537 175.1001 56 V 4.7968 8.3380 125.7877 59.9615 33.6995 174.3750 57 E 4.7626 9.1460 125.3613 54.1948 31.8998 176.2309 58 E 4.2378 8.6879 121.4136 56.3787 29.8354 175.6890 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 A 8.26 4.30 1.23 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 0.00 0.00 0.00 2 K 8.61 3.87 0.00 1.78 1.83 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.54 7.81 3 T 7.91 3.44 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 4 I 8.73 4.73 1.86 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 1.21 0.46 0.93 0.00 0.00 5 K 9.06 5.09 0.00 1.71 1.72 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.43 7.81 6 I 8.49 4.99 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.83 0.87 0.00 0.00 7 T 8.83 4.93 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 1.23 0.00 0.00 8 Q 8.81 3.76 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 5.77 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 9 T 9.08 3.73 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 1.21 0.00 0.00 10 R 8.10 4.58 0.00 1.76 1.78 0.00 3.49 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 11 S 8.71 4.21 0.00 3.88 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 12 A 8.23 4.81 1.28 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 0.00 0.00 0.00 13 I 6.75 3.98 1.89 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 1.24 0.53 0.92 0.00 0.00 14 G 7.91 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.08 4.39 0.00 1.84 2.01 0.00 3.31 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.84 0.00 16 L 8.20 4.18 0.00 1.51 1.51 0.81 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.31 0.00 2.15 2.10 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 18 K 8.02 3.93 0.00 1.76 1.89 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.54 7.81 19 H 8.14 4.28 0.00 3.52 3.48 0.00 5.63 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 20 K 8.27 3.89 0.00 2.00 1.87 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.52 7.81 21 A 8.56 4.02 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 22 T 7.76 3.94 4.50 0.00 0.00 0.00 0.00 0.00 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 L 7.97 3.89 0.00 1.84 1.74 0.85 0.47 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 24 L 8.05 4.02 0.00 1.73 1.85 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.58 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 4.20 0.00 1.77 1.73 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.03 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.55 4.22 0.00 1.60 1.64 0.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.57 4.20 0.00 1.43 1.84 0.00 3.33 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 30 R 7.36 4.60 0.00 1.72 1.77 0.00 3.19 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 31 I 8.32 3.60 1.87 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 1.35 0.53 0.94 0.00 0.00 32 G 8.53 3.93 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 0.00 0.00 0.00 33 H 8.16 4.52 0.00 3.26 3.32 0.00 6.07 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.26 3.81 4.18 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 1.18 0.00 0.00 35 V 7.57 4.34 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 0.74 0.00 0.00 0.89 0.00 0.00 36 E 8.75 5.25 0.00 1.83 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 0.00 2.18 2.27 0.00 37 R 8.87 4.77 0.00 1.73 1.73 0.00 3.16 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 38 E 8.74 4.39 0.00 1.83 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 0.00 2.31 2.36 0.00 39 D 8.37 4.63 0.00 2.63 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 40 T 7.68 4.09 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 1.22 0.00 0.00 41 P 0.00 4.26 0.00 2.19 2.11 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 42 A 7.95 3.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.67 3.79 1.86 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 1.75 0.64 0.90 0.00 0.00 44 R 8.52 4.04 0.00 2.00 2.12 0.00 3.13 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 45 G 8.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.48 4.07 0.00 1.98 2.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.59 0.00 47 I 7.67 3.77 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.38 0.86 0.00 0.00 48 N 8.20 4.29 0.00 2.85 2.97 0.00 0.00 7.19 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 49 A 7.88 4.15 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.41 4.02 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.83 0.00 0.00 51 S 7.75 4.01 0.00 3.93 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 52 F 8.20 4.44 0.00 3.17 3.25 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 53 M 7.26 4.90 0.00 1.75 2.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.29 0.00 54 V 7.77 4.66 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 0.56 0.00 0.00 0.88 0.00 0.00 55 K 8.65 4.71 0.00 1.83 1.60 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.34 7.81 56 V 8.34 4.80 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 0.84 0.00 0.00 0.99 0.00 0.00 57 E 9.15 4.76 0.00 1.90 1.87 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 2.22 2.21 0.00 58 E 8.69 4.24 0.00 2.02 1.87 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 2.14 2.25 0.00