NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2892 8.2493 123.5826 51.9549 19.7460 176.1885 3 K 3.9152 8.3008 120.8536 56.7934 34.6771 171.4088 4 H 3.7941 9.2351 113.9631 59.9450 29.9793 174.7729 5 P 4.6489 0.0000 0.0000 62.4804 32.7475 176.0316 6 V 4.4708 7.7126 118.6875 60.8207 34.3429 172.0213 7 P 4.4083 0.0000 0.0000 62.6500 31.9173 176.3883 8 K 4.0766 8.6453 122.9500 58.8128 32.5618 176.8206 9 K 4.6009 7.5514 116.3501 53.6181 35.1022 176.0411 10 K 3.8211 8.7850 123.9587 56.7532 32.4044 176.4870 11 T 3.9521 8.4466 116.7969 61.8058 69.3182 174.7192 12 S 4.4905 8.3810 119.5128 57.6127 65.7975 175.2674 13 K 3.7105 8.6332 121.6326 59.6314 31.8177 179.2707 14 A 3.9508 7.9000 120.3781 55.4046 18.3393 179.5976 15 R 3.8781 7.5942 116.5775 59.1445 29.9068 178.4091 16 R 3.8501 8.5057 118.5565 59.8393 30.3098 177.9571 17 D 4.4505 8.0259 117.7139 57.2561 40.6010 178.6670 18 A 3.9537 7.7113 119.8715 54.8200 18.3727 179.1999 19 R 4.0572 7.6475 116.1480 58.4682 30.3175 177.0819 20 R 3.9237 7.7561 117.4543 55.7881 30.1078 178.2926 21 S 4.0822 7.9883 114.3890 60.8759 62.9881 174.6067 22 H 4.8044 8.0420 115.9650 55.9199 28.8518 174.8650 23 H 4.3996 8.3863 118.0299 57.0122 28.9492 174.9649 24 A 3.9133 8.1212 121.7541 52.1708 18.0174 177.2608 25 L 4.0935 8.4575 122.2315 55.7354 42.3265 176.8037 26 T 4.4942 8.0887 114.7767 59.3323 68.9680 172.2252 27 P 4.2968 0.0000 0.0000 62.0217 31.9070 174.5618 28 P 4.3037 0.0000 0.0000 63.3174 31.6136 175.9922 29 T 4.4511 8.2567 110.0807 60.5231 69.3421 173.4557 30 L 5.0323 8.3732 125.7432 53.1445 45.1490 176.3814 31 V 4.5577 8.9923 112.7457 58.9932 36.3189 173.2765 32 P 4.3462 0.0000 0.0000 63.1519 31.9346 175.8944 33 C 4.3664 9.0342 126.2036 57.5145 31.3660 171.2938 34 P 4.0988 0.0000 0.0000 64.3843 31.3791 175.7668 35 E 3.5164 8.1995 121.8684 54.5982 25.4328 173.1297 36 C 3.9661 8.4988 112.9571 58.1097 28.8295 175.2851 37 K 3.7588 8.8354 124.5332 59.3102 32.3011 176.3774 38 A 3.9918 7.3352 120.9964 50.9469 20.0704 176.1511 39 M 4.9638 8.5298 119.7856 53.5045 33.9504 175.5417 40 K 4.8615 8.5399 122.0340 54.2617 37.0138 173.5769 41 P 5.0462 0.0000 0.0000 61.3676 32.4177 174.2911 42 P 4.1315 0.0000 0.0000 64.3302 31.7108 175.4386 43 H 4.0953 8.7552 118.2021 57.7857 25.4994 174.3224 44 T 4.7794 7.8878 114.9267 62.1493 71.6645 175.3890 45 V 4.7760 7.7972 119.2864 62.0507 31.3592 173.3301 46 C 4.4314 7.9481 123.5708 57.9365 32.6726 173.2714 47 P 5.2856 0.0000 0.0000 62.6539 30.2239 175.9482 48 E 4.7323 8.5407 114.7290 55.5122 30.5798 174.8061 49 C 4.7675 9.8963 118.1827 56.9106 30.9041 176.0487 50 G 3.8856 7.7400 112.1473 46.6121 0.0000 174.9409 51 Y 4.4511 8.4423 125.7404 57.8432 42.5856 171.1474 52 Y 5.2687 9.2301 119.0930 54.3916 37.0968 175.6183 53 A 5.4048 8.8295 135.0000 51.6721 20.6760 177.2041 54 G 3.9136 8.0723 104.2212 46.3679 0.0000 174.1484 55 R 4.2202 7.7246 119.1505 57.1304 29.9905 175.7895 56 K 4.1545 9.5103 129.1277 56.8421 35.1778 175.7021 57 V 2.9764 7.9314 113.1946 63.8303 30.6400 173.1823 58 L 4.5575 7.8924 131.0821 55.9785 43.1326 175.9905 59 E 4.2563 8.1995 118.6855 56.3330 29.6413 176.9001 60 V 3.8940 8.3096 120.5129 64.0410 31.6079 176.6943 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 A 8.25 4.29 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 3 K 8.30 3.92 0.00 1.94 1.83 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.16 1.68 7.81 4 H 9.24 3.79 0.00 3.16 3.25 0.00 5.71 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 5 P 0.00 4.65 0.00 2.05 1.97 0.00 3.73 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 2.01 2.05 0.00 6 V 7.71 4.47 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 0.75 0.00 0.00 1.01 0.00 0.00 7 P 0.00 4.41 0.00 2.22 2.04 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 8 K 8.65 4.08 0.00 1.72 1.87 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.55 4.60 0.00 1.73 1.65 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.32 7.81 10 K 8.79 3.82 0.00 1.71 1.75 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.45 7.81 11 T 8.45 3.95 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 1.21 0.00 0.00 12 S 8.38 4.49 0.00 4.07 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.63 3.71 0.00 1.81 1.91 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.52 7.81 14 A 7.90 3.95 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 15 R 7.59 3.88 0.00 2.01 1.93 0.00 3.11 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 16 R 8.51 3.85 0.00 1.80 2.02 0.00 3.32 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 17 D 8.03 4.45 0.00 2.75 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 18 A 7.71 3.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.65 4.06 0.00 1.88 2.10 0.00 3.26 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 20 R 7.76 3.92 0.00 1.98 1.78 0.00 3.23 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.41 0.00 21 S 7.99 4.08 0.00 3.87 4.05 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 0.00 0.00 0.00 0.00 22 H 8.04 4.80 0.00 3.19 3.37 0.00 5.69 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.39 4.40 0.00 3.29 3.37 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.12 3.91 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 25 L 8.46 4.09 0.00 1.65 1.64 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.09 4.49 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 1.22 0.00 0.00 27 P 0.00 4.30 0.00 2.08 1.99 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 28 P 0.00 4.30 0.00 2.18 2.07 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 29 T 8.26 4.45 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 1.22 0.00 0.00 30 L 8.37 5.03 0.00 1.52 1.68 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.99 4.56 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 0.95 0.00 0.00 0.97 0.00 0.00 32 P 0.00 4.35 0.00 1.90 1.97 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 33 C 9.03 4.37 0.00 2.88 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.10 0.00 2.10 1.98 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.89 0.00 35 E 8.20 3.52 0.00 2.00 2.17 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 2.00 2.02 0.00 36 C 8.50 3.97 0.00 3.13 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.84 3.76 0.00 1.86 2.02 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.47 7.81 38 A 7.34 3.99 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 39 M 8.53 4.96 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 40 K 8.54 4.86 0.00 1.73 1.84 0.00 1.22 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.34 7.81 41 P 0.00 5.05 0.00 2.12 2.10 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 42 P 0.00 4.13 0.00 2.17 2.11 0.00 4.01 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 2.06 2.06 0.00 43 H 8.76 4.10 0.00 3.40 3.55 0.00 5.65 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.89 4.78 4.30 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 1.26 0.00 0.00 45 V 7.80 4.78 2.17 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 0.93 0.00 0.00 0.99 0.00 0.00 46 C 7.95 4.43 0.00 3.02 2.78 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 47 P 0.00 5.29 0.00 2.34 2.15 0.00 3.78 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 2.00 2.00 0.00 48 E 8.54 4.73 0.00 1.91 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 0.00 2.20 2.28 0.00 49 C 9.90 4.77 0.00 3.20 3.20 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 50 G 7.74 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 51 Y 8.44 4.45 0.00 3.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.23 5.27 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.83 5.40 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 54 G 8.07 3.91 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 0.00 0.00 0.00 55 R 7.72 4.22 0.00 1.81 1.86 0.00 3.50 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 56 K 9.51 4.15 0.00 1.89 1.76 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.25 1.24 7.81 57 V 7.93 2.98 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 0.86 0.00 0.00 0.98 0.00 0.00 58 L 7.89 4.56 0.00 1.74 1.71 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.20 4.26 0.00 1.99 1.95 0.00 0.00 0.00 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 2.31 0.00 60 V 8.31 3.89 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 0.77 0.00 0.00 0.93 0.00 0.00