NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9095 8.3393 109.7352 44.2560 0.0000 174.7705 2 S 4.4377 7.9520 114.6442 55.5916 67.1988 172.1697 3 M 3.0249 8.7181 118.7628 55.6829 29.1155 178.8579 4 S 4.1838 8.3781 117.4601 60.7659 63.0022 175.5782 5 T 3.9176 7.9374 109.5787 64.3834 67.8354 174.4859 6 S 4.0061 7.2358 116.4987 60.2110 63.1870 174.5320 7 E 4.3355 7.6918 122.7294 53.5803 28.0433 175.9835 8 L 4.1671 7.1130 118.1438 54.3541 44.7932 173.5233 9 K 4.6005 8.1468 126.5942 55.1291 35.6426 174.3161 10 K 4.5029 8.0455 119.1938 56.3095 34.6205 175.9872 11 V 5.0846 7.9519 111.1986 61.4634 36.8201 174.6703 12 V 4.2294 8.1331 122.5372 61.7120 34.4369 173.7179 13 A 4.9343 8.5776 122.8792 50.4865 21.0120 176.1522 14 L 4.0393 9.5123 123.6544 55.4781 42.0840 177.5302 15 Y 4.6841 7.4456 116.8996 56.4920 40.7461 174.5348 16 D 4.7178 8.8860 120.0340 55.1162 42.3340 176.7126 17 Y 4.7985 8.1854 117.6096 57.7424 40.5816 173.3442 18 M 4.6360 8.5696 125.7244 53.3091 33.5280 174.1915 19 P 4.3033 0.0000 0.0000 63.2282 32.4202 175.6403 20 M 4.5156 8.5422 116.4624 56.6641 33.9706 176.0286 21 N 4.7819 7.7647 110.6678 53.6058 41.0860 173.6971 22 A 4.4490 7.6596 120.6356 53.1929 24.8200 177.2252 23 N 4.5606 8.0476 113.2800 56.6201 38.9383 174.5251 24 D 4.9049 8.0441 116.4100 55.2611 41.4158 175.6962 25 L 4.3289 7.9867 123.6419 53.8120 43.6459 177.0762 26 Q 4.1557 8.4132 126.7463 56.1817 27.4048 175.6934 27 L 4.4287 8.1516 124.9239 55.1489 44.1273 174.6071 28 R 4.4532 8.7740 118.1460 56.9268 33.9740 173.3352 29 K 4.6535 8.6265 117.6148 55.4082 34.0247 176.6036 30 G 3.9592 9.0437 115.7800 45.2558 0.0000 172.9099 31 D 4.6061 7.6529 118.6113 53.9860 42.8290 174.5328 32 E 4.5120 8.0874 119.7141 54.9356 34.1021 174.5117 33 Y 5.1604 8.7133 117.8067 56.7669 42.7390 173.5778 34 F 4.9178 9.6981 118.2992 56.3779 42.0341 174.8585 35 I 4.5439 8.1305 124.8107 60.6666 37.3311 175.9557 36 L 4.6137 8.2825 125.2571 54.5081 43.9988 175.4664 37 E 4.8818 7.5160 118.4336 56.8884 32.2189 173.8786 38 E 4.8659 8.2120 111.4532 56.1939 30.5753 176.4908 39 S 4.4250 7.6174 116.4667 60.3081 63.2939 174.8143 40 N 4.8765 8.6973 118.6913 53.8295 38.3916 174.8773 41 L 5.0642 7.6110 117.1402 52.9197 43.9209 174.4750 42 P 4.2099 0.0000 0.0000 65.6997 32.2271 176.3070 43 W 4.4972 8.1258 120.1488 56.2515 29.7871 176.0859 44 W 5.3294 8.5203 126.4465 55.1407 31.9267 174.4756 45 R 5.6363 8.8181 113.9606 54.1047 29.2019 175.0954 46 A 5.2389 8.0247 123.9128 50.2973 22.8678 176.3695 47 R 5.4939 9.3038 118.3525 54.1646 33.3510 175.8718 48 D 5.3829 8.4365 121.2384 53.3154 40.6887 176.8188 49 K 4.6539 8.6475 115.0525 57.3692 32.7044 176.4851 50 N 4.9590 7.9731 112.2757 52.5461 40.2932 174.7591 51 G 3.9763 8.4070 104.4281 46.6776 0.0000 173.9055 52 Q 4.6731 7.8388 116.2473 53.4332 31.7539 174.8117 53 E 5.0810 8.2433 119.0844 54.9812 32.7498 176.1262 54 G 4.4918 8.0757 105.7706 46.9068 0.0000 171.5330 55 Y 5.8387 8.5239 118.2416 56.0502 41.3250 175.5634 56 I 4.7657 8.4821 122.1867 58.6812 41.1599 172.9984 57 P 3.4615 0.0000 0.0000 62.1168 31.4586 177.1174 58 S 2.7900 7.7195 118.9994 60.7878 62.4053 175.1626 59 N 4.3979 7.7204 115.9305 56.0216 37.4874 175.7455 60 Y 3.8284 7.6202 115.8011 60.0710 38.0406 176.3000 61 V 5.3084 7.3701 111.0989 58.9032 34.3286 176.4187 62 T 4.5419 8.1034 119.3848 61.8653 71.5015 173.7212 63 E 4.6682 8.9458 119.0111 54.7302 29.9887 175.5548 64 A 4.1315 8.8353 126.9915 54.9891 18.5818 177.6039 65 E 4.6895 7.6709 111.6988 54.7962 33.5722 174.7779 66 D 4.6052 8.3447 120.2323 52.7577 43.7680 175.7627 67 S 4.2919 8.6891 117.9312 58.3833 62.4208 173.6013 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 G 8.34 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 2 S 7.95 4.44 0.00 4.01 3.84 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 3 M 8.72 3.02 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 4 S 8.38 4.18 0.00 3.82 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 5 T 7.94 3.92 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 6 S 7.24 4.01 0.00 3.88 3.95 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 0.00 0.00 0.00 7 E 7.69 4.34 0.00 2.06 1.85 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 2.26 2.35 0.00 8 L 7.11 4.17 0.00 1.59 1.54 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.15 4.60 0.00 1.72 1.60 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.38 7.81 10 K 8.05 4.50 0.00 1.26 1.44 0.00 1.21 0.00 0.00 1.39 0.00 0.00 2.64 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.27 7.81 11 V 7.95 5.08 2.38 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 0.90 0.00 0.00 1.26 0.00 0.00 12 V 8.13 4.23 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 1.01 0.00 0.00 0.87 0.00 0.00 13 A 8.58 4.93 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 14 L 9.51 4.04 0.00 1.43 0.87 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.45 4.68 0.00 2.95 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 16 D 8.89 4.72 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.19 4.80 0.00 2.73 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 18 M 8.57 4.64 0.00 1.90 1.97 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 2.62 2.52 0.00 19 P 0.00 4.30 0.00 2.09 2.21 0.00 3.36 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 20 M 8.54 4.52 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.54 0.00 21 N 7.76 4.78 0.00 2.62 2.78 0.00 0.00 6.64 7.31 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 22 A 7.66 4.45 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.05 4.56 0.00 2.82 3.19 0.00 0.00 7.11 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.04 4.90 0.00 2.55 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.33 0.00 1.57 1.52 1.05 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.41 4.16 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 27 L 8.15 4.43 0.00 1.78 1.85 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.77 4.45 0.00 1.82 1.88 0.00 3.26 0.00 0.00 3.21 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 29 K 8.63 4.65 0.00 1.90 1.70 0.00 1.70 0.00 0.00 0.69 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.43 7.81 30 G 9.04 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.65 4.61 0.00 2.82 2.46 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 32 E 8.09 4.51 0.00 1.62 1.76 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 2.27 2.18 0.00 33 Y 8.71 5.16 0.00 2.99 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 34 F 9.70 4.92 0.00 3.16 3.03 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 35 I 8.13 4.54 1.98 0.00 0.00 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 1.28 0.67 0.64 0.00 0.00 36 L 8.28 4.61 0.00 1.80 1.69 1.11 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.52 4.88 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 38 E 8.21 4.87 0.00 1.86 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.06 0.00 39 S 7.62 4.42 0.00 4.11 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 40 N 8.70 4.88 0.00 2.78 2.89 0.00 0.00 6.59 7.89 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 41 L 7.61 5.06 0.00 1.91 1.73 1.25 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.21 0.00 1.44 2.06 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 43 W 8.13 4.50 0.00 3.26 3.41 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 44 W 8.52 5.33 0.00 3.45 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 45 R 8.82 5.64 0.00 1.78 1.72 0.00 3.11 0.00 0.00 3.25 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.03 0.00 46 A 8.02 5.24 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.30 5.49 0.00 1.82 1.92 0.00 3.14 0.00 0.00 3.32 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.41 0.00 48 D 8.44 5.38 0.00 3.03 2.80 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 49 K 8.65 4.65 0.00 1.83 1.91 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.53 1.54 7.81 50 N 7.97 4.96 0.00 3.05 2.75 0.00 0.00 7.12 7.68 0.00 0.00 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 G 8.41 3.98 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 0.00 0.00 0.00 52 Q 7.84 4.67 0.00 2.28 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 53 E 8.24 5.08 0.00 2.01 1.90 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 2.16 2.24 0.00 54 G 8.08 4.49 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 0.00 0.00 0.00 55 Y 8.52 5.84 0.00 3.15 3.30 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 56 I 8.48 4.77 2.06 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 1.31 0.69 0.98 0.00 0.00 57 P 0.00 3.46 0.00 1.70 0.49 0.00 3.55 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.44 0.00 58 S 7.72 2.79 0.00 3.22 3.63 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 0.00 0.00 0.00 0.00 59 N 7.72 4.40 0.00 2.72 2.79 0.00 0.00 5.66 7.31 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 60 Y 7.62 3.83 0.00 3.12 3.05 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 61 V 7.37 5.31 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.05 0.00 0.00 62 T 8.10 4.54 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 1.20 0.00 0.00 63 E 8.95 4.67 0.00 1.97 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 0.00 2.26 2.32 0.00 64 A 8.84 4.13 1.13 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 0.00 0.00 0.00 0.00 0.00 65 E 7.67 4.69 0.00 1.85 1.76 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 2.15 2.25 0.00 66 D 8.34 4.61 0.00 2.55 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.69 4.29 0.00 3.81 3.72 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 0.00 0.00 0.00 0.00