NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4290 8.2649 123.5823 51.1746 19.7240 179.4866 2 K 4.1753 6.4228 120.2237 53.8931 35.7939 173.3579 3 T 4.8943 8.6746 115.1757 62.0221 71.1976 173.4645 4 I 4.0810 7.7216 127.5248 63.8130 36.8649 173.0997 5 K 3.8987 9.7365 131.1457 56.4290 29.5358 173.3861 6 I 4.8908 8.6979 116.7692 59.3131 41.1325 175.1733 7 T 4.8023 8.6449 118.5895 60.7133 72.3464 173.2676 8 Q 4.2638 8.2889 118.7852 56.0659 29.7073 176.9656 9 T 3.4369 8.0360 120.2414 61.2533 69.6614 175.0691 10 R 4.5903 8.1835 121.5750 55.2027 31.3012 174.4775 11 S 4.3804 7.6516 122.4492 58.2498 66.5815 171.3686 12 A 4.9093 7.5409 127.3975 51.4093 17.9134 181.0140 13 I 3.7766 8.2780 112.1468 63.7496 38.0510 176.2296 14 G 4.0361 9.0201 110.0783 45.4143 0.0000 173.4203 15 R 4.6232 7.3585 117.3675 54.1329 32.6253 176.4511 16 L 4.3720 8.1300 119.8461 54.1937 43.8475 176.4521 17 P 4.5215 0.0000 0.0000 64.9487 31.3488 178.6869 18 K 3.8425 8.1353 116.1935 59.9323 32.0665 176.9889 19 H 4.5804 8.1992 116.2931 56.2197 28.8937 177.5313 20 K 4.2014 8.8017 120.3912 59.6450 32.2476 178.2474 21 A 4.0071 8.2562 121.4245 55.7527 17.9402 179.6231 22 T 3.9497 8.3663 107.3856 63.8270 67.0368 174.7347 23 L 4.7053 7.9977 122.5694 54.9495 42.0859 177.8419 24 L 4.8714 7.5744 120.0917 54.9233 44.0694 178.4373 25 G 3.8042 8.2684 105.9918 47.3971 0.0000 172.7205 26 L 4.6160 7.5553 120.4863 52.7300 43.6075 177.0848 27 G 4.2004 8.5656 115.3788 45.2176 0.0000 172.7009 28 L 4.5574 7.4465 120.7881 53.1905 41.4387 176.9378 29 R 4.0023 8.0031 121.1891 56.3064 31.0814 177.9405 30 R 3.3090 8.1163 115.5541 57.3164 30.2153 174.8907 31 I 4.4853 7.9797 109.1049 60.5272 39.7022 174.5864 32 G 4.0183 8.3415 113.7240 46.5423 0.0000 172.9758 33 H 3.9446 7.6064 121.9806 55.6218 29.5574 174.0508 34 T 4.6626 8.0270 121.2915 60.9015 69.9060 173.9525 35 V 4.1399 8.2680 126.7787 62.0884 32.7394 174.0793 36 E 5.3142 8.2953 115.9410 56.8679 31.6759 175.9829 37 R 4.3843 7.1823 117.6750 56.1284 33.9209 174.3230 38 E 4.2531 8.7289 122.7570 57.2264 29.8429 176.5449 39 D 4.9678 8.5603 125.7186 54.5473 38.9237 174.5603 40 T 4.6750 7.7289 115.5047 58.8007 70.2117 173.2118 41 P 4.3095 0.0000 0.0000 66.2335 31.4858 177.5838 42 A 3.8499 8.5140 119.5857 55.6701 18.0077 179.0544 43 I 3.5832 7.6874 114.9997 63.4755 38.6412 178.2202 44 R 4.0659 8.1795 119.6280 58.9524 29.7615 178.6389 45 G 3.5269 8.1643 105.6874 48.2048 0.0000 175.2519 46 M 4.0039 7.7408 120.9229 58.3061 32.3808 178.7448 47 I 3.7819 7.7813 118.8555 64.4550 37.1706 177.5810 48 N 4.3314 7.8746 116.5555 56.9798 38.7430 176.1212 49 A 4.3623 7.7800 120.3329 53.4141 19.2781 178.7573 50 V 4.3657 7.9179 110.8749 63.4244 32.4008 179.0921 51 S 3.2443 7.6967 106.9299 59.6632 64.2320 174.7667 52 F 4.1684 7.3559 124.2503 61.6828 41.0638 177.1915 53 M 3.1509 8.3148 111.7969 58.3656 31.6487 178.3711 54 V 3.5593 5.4500 119.7013 63.8958 33.1223 175.5153 55 K 4.3705 8.1970 123.2402 54.6500 33.6212 177.3548 56 V 4.0056 8.5182 123.7687 62.7534 32.8118 177.4150 57 E 4.3212 7.8401 115.2938 55.7263 28.3176 176.6899 58 E 4.4882 9.1093 115.4827 56.8298 29.1144 175.8739 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 4.43 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 2 K 6.42 4.18 0.00 1.87 1.62 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.44 7.81 3 T 8.67 4.89 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 1.20 0.00 0.00 4 I 7.72 4.08 1.90 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 1.27 1.31 0.90 0.00 0.00 5 K 9.74 3.90 0.00 1.93 2.00 0.00 1.71 0.00 0.00 1.85 0.00 0.00 3.52 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.48 1.36 7.81 6 I 8.70 4.89 1.85 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 1.26 0.80 0.93 0.00 0.00 7 T 8.64 4.80 4.26 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 1.22 0.00 0.00 8 Q 8.29 4.26 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 5.83 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 9 T 8.04 3.44 4.31 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 1.18 0.00 0.00 10 R 8.18 4.59 0.00 1.75 1.83 0.00 3.37 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 11 S 7.65 4.38 0.00 4.01 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.54 4.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 3.78 1.88 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 0.91 0.92 0.00 0.00 14 G 9.02 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.36 4.62 0.00 1.81 1.84 0.00 3.39 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 16 L 8.13 4.37 0.00 1.89 1.62 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.52 0.00 2.16 2.09 0.00 3.62 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 2.09 2.17 0.00 18 K 8.14 3.84 0.00 1.56 1.81 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.58 7.81 19 H 8.20 4.58 0.00 3.47 3.19 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.80 4.20 0.00 1.78 1.87 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.77 7.81 21 A 8.26 4.01 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 8.37 3.95 4.25 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 1.28 0.00 0.00 23 L 8.00 4.71 0.00 1.87 1.71 0.93 0.46 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 24 L 7.57 4.87 0.00 1.66 1.66 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.27 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 7.56 4.62 0.00 1.81 1.58 0.95 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 27 G 8.57 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 4.56 0.00 1.68 1.63 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.00 4.00 0.00 1.71 1.82 0.00 3.49 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 30 R 8.12 3.31 0.00 1.99 1.98 0.00 3.14 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 31 I 7.98 4.49 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 0.97 0.97 0.00 0.00 32 G 8.34 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 0.00 0.00 0.00 33 H 7.61 3.94 0.00 3.14 3.25 0.00 5.72 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.03 4.66 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 35 V 8.27 4.14 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 1.03 0.00 0.00 0.96 0.00 0.00 36 E 8.30 5.31 0.00 2.25 2.09 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 2.09 2.10 0.00 37 R 7.18 4.38 0.00 1.88 1.74 0.00 3.29 0.00 0.00 3.34 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 38 E 8.73 4.25 0.00 2.03 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 2.40 2.29 0.00 39 D 8.56 4.97 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 4.67 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 1.36 0.00 0.00 41 P 0.00 4.31 0.00 2.06 2.11 0.00 3.75 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 2.03 2.16 0.00 42 A 8.51 3.85 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 7.69 3.58 1.98 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 1.45 1.94 1.04 0.00 0.00 44 R 8.18 4.07 0.00 2.03 2.11 0.00 3.15 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 45 G 8.16 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 46 M 7.74 4.00 0.00 2.00 2.32 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.67 0.00 47 I 7.78 3.78 1.87 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 1.52 0.69 0.90 0.00 0.00 48 N 7.87 4.33 0.00 2.87 3.00 0.00 0.00 7.32 8.02 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 49 A 7.78 4.36 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 50 V 7.92 4.37 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.05 0.00 0.00 51 S 7.70 3.24 0.00 4.02 3.70 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 52 F 7.36 4.17 0.00 3.04 3.07 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 0.00 0.00 0.00 0.00 53 M 8.31 3.15 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 54 V 5.45 3.56 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 0.72 0.00 0.00 0.99 0.00 0.00 55 K 8.20 4.37 0.00 1.66 1.59 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.72 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.10 1.20 7.81 56 V 8.52 4.01 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 0.78 0.00 0.00 0.94 0.00 0.00 57 E 7.84 4.32 0.00 2.07 1.98 0.00 0.00 0.00 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 2.29 0.00 58 E 9.11 4.49 0.00 2.15 2.26 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 2.07 2.10 0.00