NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.0189 8.4449 120.3542 56.0957 30.9409 172.0194 3 Y 4.6732 7.3589 120.1762 55.3052 39.9842 172.6000 4 E 4.1416 9.4815 122.2200 56.8213 30.9486 176.3779 5 E 4.6488 8.7384 121.4105 55.1060 33.4075 175.4804 6 G 3.9011 8.7975 106.2242 43.7749 0.0000 171.1802 7 P 4.2516 0.0000 0.0000 64.3050 31.4689 177.4043 8 G 3.8904 8.9116 109.7014 45.6622 0.0000 173.7814 9 K 4.4714 7.8162 116.5375 55.6018 34.0959 176.1181 10 N 4.8578 7.9796 115.7249 52.4364 37.8719 174.6355 11 I 4.5225 7.0868 110.2932 59.5141 40.5585 172.8027 12 P 4.5259 0.0000 0.0000 62.7209 31.6201 175.4120 13 F 4.9492 7.0087 113.0828 55.0126 40.6343 174.3181 14 S 4.4956 8.4655 115.9855 57.6613 63.1567 174.1703 15 V 4.4897 7.9330 119.0281 61.1448 32.4331 176.6973 16 E 3.9817 8.2006 123.3601 58.2819 29.7239 177.0965 17 N 4.9444 7.8845 117.2395 51.2054 41.6902 174.8656 18 K 3.8588 8.3432 127.4194 58.8701 32.9062 179.0167 19 W 4.5113 7.7552 120.3245 59.4231 29.3996 178.2709 20 R 3.9840 8.5283 118.7552 59.2930 29.5171 178.1470 21 L 3.9772 8.2602 120.5435 58.0516 41.9283 178.6180 22 L 3.9430 7.8432 119.7694 58.3433 42.1197 178.5939 23 A 4.0432 8.1788 120.5171 55.7284 18.1496 179.6225 24 M 4.0062 8.1530 116.8220 58.9235 32.0724 178.9834 25 M 4.0504 8.2404 118.8904 58.4717 32.0038 179.0446 26 T 3.9734 8.2984 116.1932 66.6667 68.6546 176.5287 27 L 3.9956 7.8649 120.8069 57.9148 41.4091 179.3945 28 F 3.9727 8.5259 120.6653 61.4597 39.3919 177.2834 29 F 4.3088 8.6699 117.9200 60.2975 38.7930 178.0281 30 G 3.8133 8.5707 105.9614 47.9307 0.0000 175.8719 31 S 4.2654 8.5077 117.4815 60.9971 62.7734 176.7971 32 G 3.5302 7.4717 108.2579 47.6028 0.0000 175.2997 33 F 4.4892 8.3222 121.7311 60.5363 39.7205 176.6551 34 A 4.4683 8.4057 120.4926 54.3904 18.4192 179.0104 35 A 4.0284 7.9967 119.6748 55.3587 18.3541 178.1140 36 P 4.0973 0.0000 0.0000 65.6767 31.3684 178.7687 37 F 3.9067 7.8975 116.0767 60.5701 38.8334 177.3686 38 F 4.1090 8.3299 116.3481 59.7328 38.7299 178.0734 39 I 3.8526 7.7956 120.1405 63.9976 36.8792 178.3231 40 V 3.5028 7.8858 119.2809 65.9230 31.3767 177.7932 41 R 3.8069 7.8525 118.3534 59.8650 29.6393 177.7082 42 H 4.1502 7.9351 116.2278 59.6160 29.6082 176.8953 43 Q 4.0647 8.3424 119.8445 58.9121 28.3138 178.6853 44 L 4.1174 7.9992 119.1642 57.0112 41.6453 178.3868 45 L 4.4544 7.6072 117.0450 54.6558 41.7007 177.1969 46 K 4.2270 7.1707 119.0322 57.3443 33.2152 176.5832 47 K 3.9596 7.6770 122.7137 57.2135 32.2242 173.9010 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 4.02 0.00 3.01 3.19 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 7.36 4.67 0.00 3.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 9.48 4.14 0.00 1.96 1.89 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 2.33 2.28 0.00 5 E 8.74 4.65 0.00 1.93 1.83 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 2.25 2.50 0.00 6 G 8.80 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.25 0.00 2.02 2.00 0.00 3.72 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 2.09 0.00 8 G 8.91 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 9 K 7.82 4.47 0.00 1.94 1.76 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.45 7.81 10 N 7.98 4.86 0.00 2.78 2.86 0.00 0.00 5.82 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 7.09 4.52 0.95 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.27 0.73 0.00 0.00 12 P 0.00 4.53 0.00 2.21 2.15 0.00 3.72 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 2.10 1.97 0.00 13 F 7.01 4.95 0.00 3.04 2.87 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 0.00 0.00 0.00 14 S 8.47 4.50 0.00 3.83 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 15 V 7.93 4.49 2.06 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 0.82 0.00 0.00 0.84 0.00 0.00 16 E 8.20 3.98 0.00 1.93 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 2.32 2.29 0.00 17 N 7.88 4.94 0.00 2.78 2.66 0.00 0.00 6.95 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 8.34 3.86 0.00 1.56 1.73 0.00 0.69 0.00 0.00 1.11 0.00 0.00 2.72 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.72 0.21 7.81 19 W 7.76 4.51 0.00 3.61 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 8.53 3.98 0.00 1.96 1.97 0.00 3.14 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 21 L 8.26 3.98 0.00 1.84 1.83 1.11 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.84 3.94 0.00 2.08 2.04 1.00 1.37 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 23 A 8.18 4.04 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.01 0.00 1.96 2.22 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.88 0.00 25 M 8.24 4.05 0.00 2.29 2.37 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.48 0.00 26 T 8.30 3.97 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 27 L 7.86 4.00 0.00 1.93 1.76 0.94 1.01 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 28 F 8.53 3.97 0.00 2.91 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 29 F 8.67 4.31 0.00 3.33 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 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 8.51 4.27 0.00 3.97 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 0.00 32 G 7.47 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.49 0.00 3.08 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 34 A 8.41 4.47 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.03 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.10 0.00 1.60 1.86 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.05 0.00 37 F 7.90 3.91 0.00 3.20 2.87 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 0.00 0.00 0.00 38 F 8.33 4.11 0.00 3.22 3.17 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 39 I 7.80 3.85 1.98 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 1.41 0.75 0.91 0.00 0.00 40 V 7.89 3.50 2.18 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 1.02 0.00 0.00 0.80 0.00 0.00 41 R 7.85 3.81 0.00 1.84 2.05 0.00 2.99 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 42 H 7.94 4.15 0.00 3.29 3.62 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.34 4.06 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 44 L 8.00 4.12 0.00 1.70 1.71 0.89 0.88 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 45 L 7.61 4.45 0.00 1.61 1.67 0.94 0.67 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 46 K 7.17 4.23 0.00 1.87 1.80 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.32 7.81 47 K 7.68 3.96 0.00 1.64 1.59 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.16 1.25 7.81