NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4361 8.2893 120.3260 54.4793 33.8420 176.0009 2 P 4.4335 0.0000 0.0000 65.8412 29.7941 174.6990 3 R 3.8087 7.3915 118.0720 52.8907 33.3840 177.9533 4 L 4.9691 8.7187 123.4264 53.1784 44.3279 175.6380 5 K 4.7848 8.7513 125.9495 54.9118 32.7215 174.6050 6 V 4.4552 8.3389 119.4247 60.0166 33.4656 175.3164 7 K 4.8306 8.7843 124.8127 52.9039 34.9348 174.6596 8 L 4.1429 8.5639 130.1120 55.8191 42.7944 177.1008 9 V 4.5761 8.7282 118.3786 60.6472 33.4324 175.6785 10 K 4.3993 7.8010 121.6356 54.3335 34.6947 175.6832 11 S 4.1001 8.8894 121.1226 58.5149 62.6633 172.1696 12 P 4.3234 0.0000 0.0000 63.5241 31.7882 175.2253 13 I 3.9678 7.7269 119.9052 65.8416 36.1784 174.0610 14 G 3.4614 8.5739 116.7384 45.4593 0.0000 172.3602 15 Y 4.3034 8.2797 118.5753 56.1400 38.7200 174.0390 16 P 4.3985 0.0000 0.0000 62.6208 33.4720 177.7236 17 K 3.9810 8.6105 118.9216 59.9371 32.1267 179.0407 18 D 4.4260 8.2761 118.7222 57.1624 38.7442 178.7801 19 Q 4.0675 7.9154 117.9075 58.3816 28.5662 178.2790 20 K 4.1250 8.0531 117.9122 58.1341 32.3491 179.0173 21 A 4.1221 7.7632 121.1836 55.0227 18.6617 178.8915 22 A 3.9157 7.9560 119.2756 55.6691 18.2834 179.7393 23 L 3.8730 7.6777 117.1885 57.9811 41.6829 179.7887 24 K 3.9995 8.2822 119.3125 59.0687 31.8434 178.8972 25 A 3.9890 7.7153 120.2144 55.0057 18.5849 178.7942 26 L 4.2494 8.0314 114.2302 54.5458 41.7219 177.4228 27 G 3.8510 7.6087 106.8601 46.3777 0.0000 173.7958 28 L 4.5653 8.1722 120.8127 53.3087 41.2389 176.1646 29 R 4.2093 8.2528 123.9081 57.4038 31.2985 178.5972 30 R 4.3509 7.3868 118.1874 55.1489 32.1051 176.2452 31 L 4.2204 8.0695 118.3389 55.7224 42.3281 178.8861 32 Q 3.7536 9.1828 118.9671 56.2893 28.2092 173.8373 33 Q 4.0929 7.7458 120.6969 56.2810 29.7442 175.2594 34 E 4.8820 8.6849 125.9069 55.8781 32.0490 176.2385 35 R 4.4734 8.8547 120.0162 55.6436 35.0654 174.4811 36 V 4.6515 8.4545 118.2864 60.4358 33.0801 175.3367 37 L 4.8501 9.0661 124.8327 52.6320 46.0033 176.7655 38 E 4.5268 8.5280 119.8717 56.7791 29.2119 177.8861 39 D 4.6559 8.4741 123.6561 54.3538 43.6640 176.3612 40 T 3.9654 7.9395 112.0541 62.2384 69.2720 172.6326 41 P 4.2920 0.0000 0.0000 65.3112 30.9573 178.5531 42 A 4.1930 7.9146 119.1024 54.2326 17.4191 178.9245 43 I 3.7336 7.6317 116.5935 62.7602 37.4347 177.7119 44 R 4.3478 7.8836 119.9640 58.5405 30.2404 178.1570 45 G 3.6887 7.9065 105.1739 48.1438 0.0000 175.3679 46 N 4.4464 7.8124 118.1572 55.6606 38.3042 177.4850 47 V 3.7012 6.9550 116.6323 65.2481 31.7905 177.5878 48 E 4.1211 8.3461 119.0477 58.8588 29.0819 178.9029 49 K 3.9796 7.9151 119.0131 59.0147 32.6075 178.9278 50 V 4.1003 7.3053 111.2940 60.5747 32.7053 178.0340 51 A 3.9438 7.5501 124.6690 55.7798 18.2194 180.4000 52 H 4.3548 7.9732 107.7229 57.0042 28.9528 175.6444 53 L 4.3851 7.9139 120.2325 54.8879 43.5820 176.4830 54 V 4.4943 6.9420 116.2157 60.8563 33.6715 174.3767 55 R 4.6026 8.1186 123.7305 54.5181 32.3531 174.4726 56 V 4.8348 8.4558 125.7820 61.3186 34.2400 173.6606 57 E 4.8075 8.6567 125.4832 54.4530 34.1079 173.9687 58 V 4.7289 8.2743 119.7885 61.0587 33.9464 175.3086 59 V 4.0899 8.4443 127.4514 63.0663 31.3456 175.0303 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 M 8.29 4.44 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 P 0.00 4.43 0.00 2.25 2.11 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 3 R 7.39 3.81 0.00 2.04 2.00 0.00 3.09 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 4 L 8.72 4.97 0.00 1.60 1.55 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.75 4.78 0.00 1.82 1.67 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.37 7.81 6 V 8.34 4.46 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 0.61 0.00 0.00 0.95 0.00 0.00 7 K 8.78 4.83 0.00 1.77 1.63 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.35 7.81 8 L 8.56 4.14 0.00 1.69 1.54 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.73 4.58 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 0.80 0.00 0.00 1.04 0.00 0.00 10 K 7.80 4.40 0.00 1.61 1.55 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.43 7.81 11 S 8.89 4.10 0.00 3.89 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 12 P 0.00 4.32 0.00 2.27 2.18 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 13 I 7.73 3.97 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.58 0.94 0.00 0.00 14 G 8.57 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.28 4.30 0.00 3.08 2.97 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 16 P 0.00 4.40 0.00 2.37 2.01 0.00 3.96 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 17 K 8.61 3.98 0.00 1.78 1.87 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.46 7.81 18 D 8.28 4.43 0.00 2.88 2.98 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 0.00 0.00 0.00 19 Q 7.92 4.07 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 20 K 8.05 4.13 0.00 1.88 1.88 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.49 7.81 21 A 7.76 4.12 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 22 A 7.96 3.92 1.32 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 0.00 0.00 23 L 7.68 3.87 0.00 1.80 1.71 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.28 4.00 0.00 1.81 1.98 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 A 7.72 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 4.25 0.00 1.74 1.70 0.94 1.11 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 27 G 7.61 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.17 4.57 0.00 1.70 1.61 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.25 4.21 0.00 1.79 1.86 0.00 3.15 0.00 0.00 3.22 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 30 R 7.39 4.35 0.00 1.79 1.87 0.00 3.20 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 31 L 8.07 4.22 0.00 1.70 1.57 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 9.18 3.75 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 33 Q 7.75 4.09 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 34 E 8.68 4.88 0.00 1.88 1.84 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 2.25 2.42 0.00 35 R 8.85 4.47 0.00 1.68 1.77 0.00 3.10 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 36 V 8.45 4.65 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 0.69 0.00 0.00 0.92 0.00 0.00 37 L 9.07 4.85 0.00 1.49 1.54 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.53 4.53 0.00 1.95 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 39 D 8.47 4.66 0.00 2.54 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 3.97 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 4.29 0.00 2.19 2.09 0.00 3.63 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 2.11 2.16 0.00 42 A 7.91 4.19 1.32 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 0.00 0.00 43 I 7.63 3.73 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 1.52 1.11 0.90 0.00 0.00 44 R 7.88 4.35 0.00 2.07 2.03 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 45 G 7.91 3.69 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 0.00 0.00 0.00 46 N 7.81 4.45 0.00 2.78 2.86 0.00 0.00 6.66 7.56 0.00 0.00 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 V 6.95 3.70 2.16 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 0.81 0.00 0.00 0.95 0.00 0.00 48 E 8.35 4.12 0.00 2.16 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 2.53 2.45 0.00 49 K 7.92 3.98 0.00 1.92 2.01 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.50 7.81 50 V 7.31 4.10 1.91 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 0.72 0.00 0.00 0.95 0.00 0.00 51 A 7.55 3.94 1.32 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 0.00 0.00 52 H 7.97 4.35 0.00 3.27 3.47 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.91 4.39 0.00 1.50 1.64 0.53 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 54 V 6.94 4.49 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 0.76 0.00 0.00 0.91 0.00 0.00 55 R 8.12 4.60 0.00 1.89 1.71 0.00 3.10 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 56 V 8.46 4.83 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 0.82 0.00 0.00 0.91 0.00 0.00 57 E 8.66 4.81 0.00 2.05 1.74 0.00 0.00 0.00 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 2.21 0.00 58 V 8.27 4.73 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 0.96 0.00 0.00 0.93 0.00 0.00 59 V 8.44 4.09 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 0.79 0.00 0.00 0.93 0.00 0.00