NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2828 8.3049 120.3484 56.4619 33.5118 175.9531 2 P 4.0006 0.0000 0.0000 60.7601 31.3876 174.6476 3 R 4.8764 9.3998 125.9419 55.0300 32.2204 175.2585 4 L 4.6368 10.8200 123.9765 53.0843 44.5685 175.7553 5 K 4.9361 9.5550 124.8488 54.7879 34.1870 175.1557 6 V 5.4349 9.0521 126.9665 59.2878 34.4497 174.4624 7 K 5.8178 8.2408 121.3861 53.8237 36.7331 173.5360 8 L 4.8581 8.0457 122.6537 53.5894 43.9497 175.3871 9 V 4.3463 8.2008 117.3459 61.3624 36.2533 172.7078 10 K 3.5327 8.8468 123.3955 55.9420 29.6670 173.0416 11 S 3.9589 8.0931 115.1217 57.6804 62.9409 173.5369 12 P 4.4358 0.0000 0.0000 63.2017 30.5706 175.1047 13 I 3.8501 7.7878 120.7296 63.9215 36.5740 176.5618 14 G 3.8799 8.9495 113.9867 45.4899 0.0000 172.2650 15 Y 4.2719 8.4681 117.2923 57.2070 38.7072 173.0290 16 P 4.1239 0.0000 0.0000 60.0529 34.2923 174.4431 17 K 3.6767 9.7787 117.7601 59.4069 30.4982 179.6748 18 D 3.7758 8.8117 112.7939 53.6405 43.7025 178.5459 19 Q 3.5350 7.3472 116.0108 58.1929 29.4585 179.3259 20 K 3.6998 8.9146 119.6541 59.3998 31.6249 178.7401 21 A 3.9714 8.6620 120.6837 55.6952 17.8448 179.4238 22 A 4.1380 7.5291 118.9812 56.1357 18.3690 178.6513 23 L 4.1759 10.2103 118.1671 56.5890 41.3841 178.8047 24 K 3.9479 8.0164 124.0461 59.8477 32.6487 177.8662 25 A 4.0378 9.8791 122.7142 52.7857 17.7158 179.3790 26 L 3.8840 6.8052 121.9905 54.6288 43.4129 177.7937 27 G 4.0015 8.8440 107.3367 46.2650 0.0000 171.8112 28 L 4.7103 7.8138 120.8241 53.3036 44.0100 177.9452 29 R 4.5941 7.8879 133.2151 54.9450 28.7959 177.8443 30 R 3.8403 8.6154 125.3690 56.4601 29.9197 175.4814 31 L 4.0049 8.6226 119.4682 55.9315 43.6762 177.1973 32 Q 3.8603 7.0822 114.2480 57.5875 26.7740 173.3948 33 Q 4.7473 7.8146 121.2114 54.9894 33.5280 174.2957 34 E 5.2782 8.6248 120.2840 54.6238 32.1680 175.9440 35 R 4.8535 9.0981 122.2344 54.6079 34.9486 174.5583 36 V 5.6034 8.0491 112.0756 59.5240 35.8482 174.5645 37 L 4.5534 7.9827 121.1286 54.0095 46.4916 174.0673 38 E 4.3876 8.8758 119.3253 56.3926 29.9691 176.9967 39 D 3.9007 9.9443 121.4420 55.2097 39.4964 178.1471 40 T 3.2693 8.2193 115.3116 61.4408 65.2283 170.8810 41 P 4.1882 0.0000 0.0000 65.5459 33.1189 178.4112 42 A 4.0855 8.6009 110.6957 54.6227 17.7387 179.7539 43 I 3.5018 8.3709 122.8144 64.8599 37.2117 176.2558 44 R 3.8215 8.4063 117.3412 57.6785 29.8167 180.4146 45 G 3.6739 10.9873 95.2302 46.3949 0.0000 176.8033 46 N 3.3136 9.0496 116.4152 52.5635 41.9363 174.1853 47 V 3.4128 7.2041 120.9272 66.6114 32.5048 177.4099 48 E 3.7549 8.9668 116.5722 59.7707 28.8445 179.4402 49 K 4.1503 7.8723 122.3036 58.6700 32.9451 178.7191 50 V 3.3560 8.3413 111.6218 63.5936 31.9127 178.4122 51 A 3.8041 12.0000 115.2157 51.8842 21.2693 181.4245 52 H 3.8851 8.2919 115.9920 60.3657 29.7223 175.7924 53 L 4.0148 10.1118 122.1372 56.5857 43.2300 176.5567 54 V 4.4963 6.7951 112.9353 60.8262 40.0518 176.6768 55 R 4.5944 8.6447 130.3194 55.5701 33.1047 172.1913 56 V 4.6334 8.4657 125.7061 61.3274 33.6868 174.3481 57 E 4.6311 8.5122 126.5219 54.3285 33.1795 174.5119 58 V 4.0457 8.5224 127.0065 61.9471 31.5485 174.4187 59 V 4.3815 9.8114 134.7511 61.3105 34.4139 175.2302 60 E 4.7205 8.7926 117.8033 57.1193 30.3659 176.2155 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 8.30 4.28 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 2 P 0.00 4.00 0.00 2.20 2.00 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 2.17 0.00 3 R 9.40 4.88 0.00 1.92 1.84 0.00 3.10 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 4 L 10.82 4.64 0.00 1.59 1.55 0.91 0.55 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 5 K 9.56 4.94 0.00 1.74 1.72 0.00 1.60 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.34 7.81 6 V 9.05 5.43 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 0.83 0.00 0.00 0.90 0.00 0.00 7 K 8.24 5.82 0.00 1.80 1.66 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.36 7.81 8 L 8.05 4.86 0.00 1.86 1.50 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.20 4.35 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 0.56 0.00 0.00 0.95 0.00 0.00 10 K 8.85 3.53 0.00 1.77 1.66 0.00 1.72 0.00 0.00 1.41 0.00 0.00 2.63 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.03 1.30 7.81 11 S 8.09 3.96 0.00 3.89 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 12 P 0.00 4.44 0.00 2.32 2.23 0.00 3.76 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 2.10 1.99 0.00 13 I 7.79 3.85 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.96 0.00 0.00 14 G 8.95 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.47 4.27 0.00 3.03 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 4.12 0.00 2.23 1.90 0.00 3.98 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 2.13 2.20 0.00 17 K 9.78 3.68 0.00 1.83 1.24 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.54 7.81 18 D 8.81 3.78 0.00 2.84 2.53 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 19 Q 7.35 3.54 0.00 2.44 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.63 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 20 K 8.91 3.70 0.00 1.89 1.88 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.37 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.66 7.81 21 A 8.66 3.97 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 22 A 7.53 4.14 1.46 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 23 L 10.21 4.18 0.00 1.64 1.59 0.92 0.64 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 24 K 8.02 3.95 0.00 1.75 1.86 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.52 7.81 25 A 9.88 4.04 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 26 L 6.81 3.88 0.00 1.67 1.73 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.84 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.71 0.00 1.65 1.56 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.89 4.59 0.00 1.79 1.46 0.00 3.42 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 30 R 8.62 3.84 0.00 1.91 2.01 0.00 3.20 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 31 L 8.62 4.00 0.00 1.70 1.62 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.08 3.86 0.00 2.24 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 33 Q 7.81 4.75 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 34 E 8.62 5.28 0.00 1.84 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 2.18 2.29 0.00 35 R 9.10 4.85 0.00 1.65 1.75 0.00 3.22 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 36 V 8.05 5.60 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 0.86 0.00 0.00 0.93 0.00 0.00 37 L 7.98 4.55 0.00 1.55 1.53 0.92 0.91 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 38 E 8.88 4.39 0.00 1.83 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 39 D 9.94 3.90 0.00 2.63 2.70 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 40 T 8.22 3.27 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 1.30 0.00 0.00 41 P 0.00 4.19 0.00 2.21 2.12 0.00 3.68 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 2.12 2.12 0.00 42 A 8.60 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.37 3.50 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 1.30 0.74 0.91 0.00 0.00 44 R 8.41 3.82 0.00 2.09 1.99 0.00 3.28 0.00 0.00 3.22 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 45 G 10.99 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 9.05 3.31 0.00 2.88 2.67 0.00 0.00 6.49 7.71 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 47 V 7.20 3.41 2.24 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 0.89 0.00 0.00 0.95 0.00 0.00 48 E 8.97 3.75 0.00 2.16 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 0.00 2.19 2.49 0.00 49 K 7.87 4.15 0.00 1.72 2.05 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.54 7.81 50 V 8.34 3.36 2.01 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 0.80 0.00 0.00 1.54 0.00 0.00 51 A 12.00 3.80 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 3.89 0.00 3.22 3.46 0.00 5.77 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 10.11 4.01 0.00 1.74 1.63 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 54 V 6.80 4.50 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 0.70 0.00 0.00 0.92 0.00 0.00 55 R 8.64 4.59 0.00 1.86 1.69 0.00 3.06 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 56 V 8.47 4.63 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 0.81 0.00 0.00 0.92 0.00 0.00 57 E 8.51 4.63 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 58 V 8.52 4.05 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 59 V 9.81 4.38 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 0.83 0.00 0.00 0.94 0.00 0.00 60 E 8.79 4.72 0.00 1.99 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 2.06 2.07 0.00