NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3049 8.3149 119.9966 56.2155 33.2761 175.6104 2 P 4.0951 0.0000 0.0000 61.8170 31.9480 170.2922 3 V 3.0907 8.0089 118.5442 61.4158 29.4726 169.3937 4 S 4.5135 7.2695 108.1956 57.5766 65.1122 175.8651 5 L 4.6354 8.2725 130.2970 54.1656 41.8729 175.1076 6 S 3.5928 8.2724 117.6849 58.6660 59.9491 170.6850 7 Y 4.2444 7.9535 116.9263 57.0619 37.9585 177.0640 8 R 4.2293 8.5654 121.6158 56.5256 30.6503 177.0913 9 C 5.0927 7.8426 115.4751 54.3772 43.1777 171.9753 10 P 4.2478 0.0000 0.0000 65.4322 31.1236 177.6547 11 C 3.8544 8.3287 120.6811 55.3991 39.8398 173.7748 12 R 4.1446 7.9046 124.4945 55.9046 30.2860 175.7962 13 F 4.9826 6.3993 110.2799 55.8345 40.9514 173.6131 14 F 5.0869 8.5212 119.5720 55.9148 43.1714 173.8994 15 E 4.6521 10.1328 123.2232 55.6962 30.5220 175.7725 16 S 4.8160 8.7974 119.3319 57.6997 65.6915 172.5368 17 H 4.0030 9.0812 122.1674 56.4934 26.9540 173.5928 18 V 4.5650 8.0082 120.6442 60.2752 35.5338 174.1059 19 A 4.1862 8.2407 125.7899 49.6013 20.9506 177.9099 20 R 2.5100 7.1370 121.9133 58.6415 30.1559 177.5471 21 A 4.1149 7.4037 118.9482 53.4436 19.1547 177.4743 22 N 4.5156 7.6263 112.4742 53.4223 38.2674 175.0666 23 V 4.3839 7.3326 119.5158 61.8472 32.5534 175.3281 24 K 4.3147 8.9720 127.2869 59.3470 33.9690 177.0629 25 H 4.8913 7.9819 120.4520 54.6434 33.1808 171.9865 26 L 4.9483 8.5676 125.6671 53.1388 43.7357 176.4215 27 K 4.3607 9.2636 124.8823 55.3019 34.8624 174.6036 28 I 4.5340 8.3952 128.7608 60.3494 38.5791 175.2003 29 L 4.7644 9.4966 129.7668 53.2502 44.2565 174.4635 30 N 5.3431 8.8080 124.1897 51.7545 39.3010 174.4183 31 T 4.5397 8.3568 119.1469 61.9001 71.5595 173.5640 32 P 4.0317 0.0000 0.0000 65.2803 31.6786 176.5932 33 N 4.9349 7.9618 111.7800 53.2280 40.2701 175.8109 34 C 4.4721 8.2565 114.2080 56.0508 41.7654 174.7820 35 A 3.5390 7.7958 124.6187 51.0774 17.4380 175.5303 36 L 4.4837 8.3581 118.0987 55.2028 42.7824 177.3235 37 Q 4.9601 9.3136 125.7622 54.2698 32.1834 174.4730 38 I 4.6379 8.4384 124.6474 59.7723 39.6953 174.7070 39 V 4.8238 8.7029 126.3918 61.0953 33.9146 174.2296 40 A 5.1455 9.2987 128.8386 50.5460 23.0194 174.7616 41 R 5.1180 8.6234 120.1718 54.5311 33.0307 176.1680 42 L 4.4283 8.6005 122.6546 54.2656 41.6056 177.1909 43 K 4.1172 9.4372 120.7152 59.0459 32.7142 179.3039 44 N 4.5948 7.8832 119.2973 56.3387 39.8872 176.3309 45 N 4.3344 8.1443 116.1375 54.2396 39.3689 175.0640 46 N 4.8660 7.3991 112.0576 53.4747 38.3596 173.5375 47 R 4.4125 7.3520 113.9039 55.2329 31.9689 175.2858 48 Q 4.8067 8.5976 123.9700 55.4694 29.8966 175.1189 49 V 4.8498 9.3744 119.8288 59.8282 35.9986 173.7755 50 C 5.2899 9.3075 120.1723 55.7688 36.6968 172.9865 51 I 4.7157 8.9211 125.1367 59.5760 39.6668 174.6263 52 D 4.3064 8.2196 125.9038 52.9774 41.5649 175.1453 53 P 4.3904 0.0000 0.0000 63.5188 30.9819 176.6599 54 K 4.3851 7.6398 116.4658 56.1879 33.1125 177.1096 55 L 4.0474 7.3783 120.4583 54.1208 43.2348 177.6998 56 K 3.8916 8.5929 124.2950 59.5388 32.3658 179.3231 57 W 5.1727 8.0541 117.5803 59.0816 28.0511 178.1940 58 I 3.2955 6.6565 120.4894 63.8563 36.4705 178.0150 59 Q 3.9342 8.0646 119.2473 59.0992 28.5906 178.6539 60 E 4.0093 8.1487 119.4488 59.5983 29.5170 178.7292 61 Y 4.1558 8.0080 119.3067 61.0665 38.8350 178.4643 62 L 3.7482 8.2336 119.7816 57.2601 41.6628 179.2278 63 E 3.9005 8.5767 119.2827 59.9501 29.4134 178.6158 64 K 3.8433 8.2517 119.3453 59.4739 31.8866 178.2639 65 A 3.8374 7.9934 122.9738 55.0346 18.5411 178.9125 66 L 4.0818 7.8618 117.9299 57.4276 42.3848 177.9238 67 N 4.4610 8.0816 115.8610 55.1293 39.0194 174.5547 68 K 3.9817 7.9313 125.7020 56.9262 32.2446 175.8807 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 K 8.31 4.30 0.00 1.88 1.92 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.46 7.81 2 P 0.00 4.10 0.00 2.14 2.13 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 3 V 8.01 3.09 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 0.67 0.00 0.00 0.96 0.00 0.00 4 S 7.27 4.51 0.00 3.81 3.75 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 0.00 0.00 0.00 0.00 5 L 8.27 4.64 0.00 1.62 1.55 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.27 3.59 0.00 4.03 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 7 Y 7.95 4.24 0.00 3.09 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 8 R 8.57 4.23 0.00 1.92 2.07 0.00 2.98 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 9 C 7.84 5.09 0.00 2.97 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.25 0.00 1.97 2.09 0.00 3.84 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 2.02 2.13 0.00 11 C 8.33 3.85 0.00 2.56 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 4.14 0.00 1.72 1.99 0.00 3.26 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 13 F 6.40 4.98 0.00 3.05 2.84 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 14 F 8.52 5.09 0.00 2.86 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 E 10.13 4.65 0.00 2.09 2.00 0.00 0.00 0.00 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 2.40 0.00 16 S 8.80 4.82 0.00 3.92 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 17 H 9.08 4.00 0.00 3.32 3.40 0.00 5.86 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 18 V 8.01 4.56 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.12 0.00 0.00 19 A 8.24 4.19 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.14 2.51 0.00 1.07 1.54 0.00 3.26 0.00 0.00 3.53 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 21 A 7.40 4.11 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.63 4.52 0.00 2.87 2.98 0.00 0.00 6.38 7.08 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 23 V 7.33 4.38 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 0.98 0.00 0.00 1.09 0.00 0.00 24 K 8.97 4.31 0.00 1.79 1.92 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.63 1.44 7.81 25 H 7.98 4.89 0.00 3.23 3.16 0.00 5.84 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.57 4.95 0.00 1.39 1.32 0.16 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.26 4.36 0.00 1.52 1.58 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.59 7.81 28 I 8.40 4.53 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.79 0.94 0.00 0.00 29 L 9.50 4.76 0.00 1.70 1.63 0.93 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.81 5.34 0.00 2.74 2.80 0.00 0.00 6.08 7.72 0.00 0.00 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 T 8.36 4.54 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 32 P 0.00 4.03 0.00 2.05 2.08 0.00 3.62 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 2.17 0.00 33 N 7.96 4.93 0.00 2.67 2.81 0.00 0.00 6.87 7.67 0.00 0.00 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 C 8.26 4.47 0.00 2.99 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 3.54 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 4.48 0.00 1.63 1.55 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 9.31 4.96 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.60 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 38 I 8.44 4.64 2.02 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.86 0.83 0.00 0.00 39 V 8.70 4.82 2.22 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 1.03 0.00 0.00 0.90 0.00 0.00 40 A 9.30 5.15 1.22 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 0.00 0.00 0.00 41 R 8.62 5.12 0.00 1.83 1.86 0.00 3.15 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 42 L 8.60 4.43 0.00 1.71 1.67 0.94 0.58 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 43 K 9.44 4.12 0.00 1.75 1.74 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 44 N 7.88 4.59 0.00 2.67 2.82 0.00 0.00 6.90 7.79 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 45 N 8.14 4.33 0.00 2.84 2.79 0.00 0.00 6.85 6.72 0.00 0.00 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 N 7.40 4.87 0.00 2.87 2.85 0.00 0.00 7.17 7.54 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 47 R 7.35 4.41 0.00 1.89 1.84 0.00 3.16 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 48 Q 8.60 4.81 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 49 V 9.37 4.85 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.08 0.00 0.00 50 C 9.31 5.29 0.00 2.58 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 51 I 8.92 4.72 1.83 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.56 0.75 0.00 0.00 52 D 8.22 4.31 0.00 2.74 2.44 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 53 P 0.00 4.39 0.00 2.11 2.03 0.00 3.33 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.00 0.00 54 K 7.64 4.39 0.00 1.81 1.77 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.29 7.81 55 L 7.38 4.05 0.00 1.25 1.22 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.59 3.89 0.00 1.85 1.89 0.00 1.76 0.00 0.00 1.94 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.53 7.81 57 W 8.05 5.17 0.00 3.67 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 6.66 3.30 1.59 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 0.29 0.70 0.00 0.00 59 Q 8.06 3.93 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.97 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 60 E 8.15 4.01 0.00 2.38 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 0.00 2.39 2.63 0.00 61 Y 8.01 4.16 0.00 3.14 3.06 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 0.00 0.00 0.00 0.00 62 L 8.23 3.75 0.00 1.71 1.61 1.08 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.58 3.90 0.00 2.09 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 0.00 2.53 2.47 0.00 64 K 8.25 3.84 0.00 1.91 1.90 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 65 A 7.99 3.84 0.97 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 0.00 0.00 0.00 0.00 0.00 66 L 7.86 4.08 0.00 1.52 1.83 0.88 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.08 4.46 0.00 2.76 2.88 0.00 0.00 7.11 6.28 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 68 K 7.93 3.98 0.00 1.88 1.86 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.39 7.81