NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1356 8.2649 123.5817 52.5600 19.5440 177.8916 2 K 3.7155 8.7182 124.0833 56.5376 31.4981 172.6121 3 T 4.5969 9.0376 113.8699 65.1334 75.9237 172.6059 4 I 4.0432 7.7511 124.7625 60.3157 37.1518 172.3029 5 K 4.9397 8.1858 120.9545 54.8381 35.4728 175.6088 6 I 4.6559 8.9132 125.2086 60.8206 39.8832 174.8251 7 T 4.3816 7.8630 118.5044 62.8726 72.4037 173.5848 8 Q 3.9879 9.0168 127.9521 54.2195 29.7063 176.5378 9 T 3.7038 8.7968 112.6433 61.4800 68.6733 172.5628 10 R 4.6770 7.3792 119.4324 53.9666 34.3099 174.8404 11 S 4.1775 8.6769 116.9892 58.3826 63.5233 174.7535 12 A 4.2266 8.5667 124.2635 52.8764 18.2570 178.3158 13 I 3.5695 7.6992 118.2710 65.0073 36.9159 177.7492 14 G 3.8094 8.5333 118.2556 48.0672 0.0000 174.0698 15 R 4.1450 7.4637 118.2627 55.7266 30.7950 176.7843 16 L 4.2208 8.1615 119.7239 54.3954 43.5563 176.7860 17 P 4.4610 0.0000 0.0000 65.3611 31.1985 178.9635 18 K 4.0111 8.0149 118.1760 59.1801 32.2623 178.5372 19 H 4.2978 8.0570 116.3305 58.8225 29.1573 177.2607 20 K 3.8744 8.5377 120.4081 60.1606 31.9248 178.5252 21 A 4.0288 8.2400 121.2717 55.1648 18.1373 179.4482 22 T 3.9260 8.2936 108.7807 63.9770 69.0289 176.2098 23 L 4.1296 7.7507 121.9840 57.8546 41.9041 178.6726 24 L 4.1925 7.7832 118.6931 58.0940 41.3189 179.7770 25 G 3.7993 7.9471 103.9048 46.3869 0.0000 174.8731 26 L 4.6114 8.2075 119.3374 52.8803 43.2132 176.1480 27 G 3.7941 7.2613 107.4271 44.8550 0.0000 171.4855 28 L 4.0917 7.4633 117.8381 55.3402 41.0488 175.3162 29 R 3.9698 8.0169 125.6103 57.9842 30.4802 179.0942 30 R 4.1933 7.7221 120.9260 56.0770 31.3958 178.4747 31 I 3.9270 7.8463 112.9659 60.1795 34.9429 173.8191 32 G 3.7137 8.2027 115.1176 47.4541 0.0000 170.1659 33 H 4.3476 8.2780 122.7763 56.4913 30.7211 174.9063 34 T 4.2275 8.1022 113.3096 64.2087 65.7309 172.6829 35 V 3.6968 7.6592 120.0482 61.8494 32.1963 174.4799 36 E 4.8051 8.6611 123.5886 54.7503 29.9026 173.6250 37 R 4.3473 7.7073 125.3753 54.8330 32.7600 177.7112 38 E 4.8789 6.8479 118.4452 56.9815 34.6978 175.6096 39 D 4.7851 8.3791 113.7545 53.4844 41.4689 176.3276 40 T 4.3008 7.5475 117.4935 62.3500 69.8669 174.9080 41 P 4.3245 0.0000 0.0000 65.6317 31.6658 177.6940 42 A 4.0816 8.0929 120.6808 54.6685 18.0564 178.2568 43 I 3.8467 7.4664 110.7337 61.8257 38.2634 177.0309 44 R 4.4845 8.1416 120.5659 57.0512 30.6185 177.4362 45 G 3.6548 8.2224 104.4627 47.2070 0.0000 175.2842 46 M 4.2581 7.9170 120.1755 57.5938 32.0579 178.4497 47 I 3.6835 7.1670 120.3481 64.3205 37.1745 177.9221 48 N 4.3030 8.2409 115.9867 55.8543 36.8167 176.4144 49 A 4.1961 7.4087 122.0755 54.1647 19.2920 178.5981 50 V 4.0730 7.9152 111.2056 60.5680 33.0663 178.4156 51 S 4.0099 8.2797 116.4560 61.4573 63.0432 176.2647 52 F 4.3721 8.2378 114.1274 58.6048 38.0176 174.5501 53 M 4.8466 6.5718 119.3523 52.5976 31.0515 176.0961 54 V 4.9259 7.5542 105.8883 61.2316 37.2406 173.7559 55 K 4.4916 8.8735 127.3632 54.6129 33.7979 175.1663 56 V 4.3443 8.3959 127.5009 61.6690 33.4376 174.6011 57 E 4.4885 8.6084 128.6811 54.1773 31.3274 175.5024 58 E 4.1134 8.6586 126.9680 56.4342 29.7877 176.2587 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 4.14 1.27 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 0.00 0.00 2 K 8.72 3.72 0.00 1.99 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.52 7.81 3 T 9.04 4.60 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 1.25 0.00 0.00 4 I 7.75 4.04 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 1.42 2.09 0.93 0.00 0.00 5 K 8.19 4.94 0.00 1.65 1.64 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.41 7.81 6 I 8.91 4.66 1.85 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 1.21 0.85 0.87 0.00 0.00 7 T 7.86 4.38 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 1.20 0.00 0.00 8 Q 9.02 3.99 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 5.72 0.00 0.00 0.00 0.00 0.00 2.54 2.30 0.00 9 T 8.80 3.70 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 10 R 7.38 4.68 0.00 1.81 1.90 0.00 3.66 0.00 0.00 3.43 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 11 S 8.68 4.18 0.00 4.02 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.23 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 13 I 7.70 3.57 1.90 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 1.25 0.91 0.93 0.00 0.00 14 G 8.53 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 15 R 7.46 4.15 0.00 2.09 2.04 0.00 3.31 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.97 0.00 16 L 8.16 4.22 0.00 1.58 1.57 0.86 0.73 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 17 P 0.00 4.46 0.00 2.16 2.10 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 18 K 8.01 4.01 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.56 7.81 19 H 8.06 4.30 0.00 3.50 3.39 0.00 5.90 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 8.54 3.87 0.00 1.92 1.91 0.00 1.93 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.73 7.81 21 A 8.24 4.03 1.44 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 0.00 0.00 0.00 22 T 8.29 3.93 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 1.29 0.00 0.00 23 L 7.75 4.13 0.00 1.89 1.72 0.86 0.36 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 24 L 7.78 4.19 0.00 1.95 1.75 0.96 0.88 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 25 G 7.95 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 0.00 0.00 0.00 26 L 8.21 4.61 0.00 1.65 1.69 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.26 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.46 4.09 0.00 1.71 1.64 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.02 3.97 0.00 1.80 1.85 0.00 3.24 0.00 0.00 3.21 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 30 R 7.72 4.19 0.00 1.81 1.91 0.00 3.22 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 31 I 7.85 3.93 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 0.92 0.00 0.00 32 G 8.20 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.35 0.00 3.09 3.34 0.00 6.08 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.10 4.23 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 1.22 0.00 0.00 35 V 7.66 3.70 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 0.78 0.00 0.00 0.96 0.00 0.00 36 E 8.66 4.81 0.00 1.93 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 2.20 2.41 0.00 37 R 7.71 4.35 0.00 1.86 1.78 0.00 3.48 0.00 0.00 3.14 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 38 E 6.85 4.88 0.00 2.01 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 2.04 1.98 0.00 39 D 8.38 4.79 0.00 2.58 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.55 4.30 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 1.23 0.00 0.00 41 P 0.00 4.32 0.00 2.01 2.13 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 42 A 8.09 4.08 1.27 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 0.00 0.00 43 I 7.47 3.85 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 1.52 0.55 0.90 0.00 0.00 44 R 8.14 4.48 0.00 1.89 1.95 0.00 3.19 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 45 G 8.22 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.26 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.61 0.00 47 I 7.17 3.68 2.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.94 0.88 0.00 0.00 48 N 8.24 4.30 0.00 2.87 2.98 0.00 0.00 5.98 7.26 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 49 A 7.41 4.20 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.07 1.70 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 0.70 0.00 0.00 0.85 0.00 0.00 51 S 8.28 4.01 0.00 4.01 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 52 F 8.24 4.37 0.00 3.19 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 6.57 4.85 0.00 1.78 1.76 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 2.01 0.00 54 V 7.55 4.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.94 0.00 0.00 55 K 8.87 4.49 0.00 1.72 1.67 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.70 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.33 7.81 56 V 8.40 4.34 2.07 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 0.86 0.00 0.00 0.91 0.00 0.00 57 E 8.61 4.49 0.00 2.08 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 58 E 8.66 4.11 0.00 1.94 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 2.28 2.36 0.00