NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9879 8.3393 109.7365 45.3601 0.0000 172.3513 2 S 4.4445 7.5961 114.1746 54.5347 66.2830 173.4889 3 S 4.2533 8.9429 120.0676 58.4252 64.6705 175.8367 4 G 4.1556 8.3245 113.6015 44.7585 0.0000 174.5495 5 S 4.4697 7.7369 113.3616 56.6510 61.5904 172.1215 6 S 4.5155 8.1024 119.1752 56.4954 63.5142 173.6939 7 G 4.0212 8.5102 114.7935 43.6517 0.0000 172.3163 8 S 4.6796 8.6881 119.8795 56.3908 66.6099 172.4213 9 G 4.2545 8.9182 115.6500 45.1499 0.0000 173.6486 10 E 4.6281 8.9043 119.4793 54.8585 32.7581 174.3612 11 K 4.2180 8.6190 123.2476 57.6166 32.5265 176.2511 12 S 4.8214 7.1875 111.7088 57.0799 64.5034 173.3581 13 H 4.3716 8.4764 122.9127 56.5109 29.4678 174.3333 14 T 5.5685 8.3920 119.6940 60.8990 71.1421 173.5330 15 C 4.4038 8.8160 126.6173 59.3504 32.1063 173.8595 16 D 4.5333 8.9173 126.5067 56.3140 41.0265 177.7172 17 E 4.0932 8.2121 118.9257 58.6346 29.7655 177.1466 18 C 4.6361 8.1991 110.0426 60.0876 31.6057 174.5971 19 G 4.1688 8.1679 108.8379 45.0976 0.0000 173.9489 20 K 4.2961 8.2000 120.2732 55.4222 34.2511 175.0119 21 N 5.2503 7.6188 118.1236 52.1929 42.2648 174.0811 22 F 4.3877 9.1244 123.8990 56.4358 42.4661 174.8108 23 C 4.0482 8.9841 122.9945 62.3138 28.3373 174.1412 24 Y 4.8104 6.9533 117.6023 54.8678 39.5002 175.7160 25 I 3.3216 8.5477 124.7892 64.3605 37.6769 177.3258 26 S 4.0975 8.3251 114.9475 61.8425 62.6732 176.5993 27 A 3.9485 8.2589 122.9906 55.0112 18.0984 179.1063 28 L 2.4400 7.4342 118.2363 58.0299 41.7260 179.1311 29 R 3.8247 7.4385 116.1925 59.5190 29.7908 178.7809 30 I 3.7970 7.3660 119.3933 64.5814 37.0647 178.0496 31 H 4.2133 7.9682 119.1262 59.2106 29.7065 177.0988 32 Q 4.2005 8.3798 120.3274 59.1851 28.3724 179.2559 33 R 4.0883 7.6041 117.8744 59.4890 29.8031 179.2701 34 V 3.7283 7.9113 111.5333 64.1826 31.5080 177.6819 35 H 4.5530 8.3699 115.5822 56.8417 28.8760 175.6794 36 M 3.9460 6.8907 118.9014 56.4908 32.2080 174.5890 37 G 4.0893 8.2894 116.0959 46.4826 0.0000 173.7338 38 E 4.4206 8.1410 119.1115 55.7229 29.6168 176.8756 39 K 4.7008 7.7316 116.6379 55.1098 36.3596 176.3091 40 C 4.8296 8.7409 115.7607 58.2785 31.5191 174.6298 41 S 4.5696 7.9300 114.6472 58.2673 63.9916 174.7372 42 G 3.9385 8.2930 104.0472 46.3206 0.0000 172.0839 43 P 4.3320 0.0000 0.0000 65.6366 32.0554 177.8101 44 S 4.7989 7.5362 112.5657 55.5009 65.9570 173.7315 45 S 4.2482 8.2201 116.3673 58.2521 62.9079 174.3359 46 G 3.4318 8.7392 112.3827 45.1968 0.0000 173.3950 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 3.99 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 0.00 0.00 0.00 2 S 7.60 4.44 0.00 4.00 3.79 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 0.00 0.00 0.00 0.00 3 S 8.94 4.25 0.00 4.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.32 4.16 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 0.00 5 S 7.74 4.47 0.00 3.83 3.80 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 6 S 8.10 4.52 0.00 3.86 3.73 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 7 G 8.51 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 0.00 0.00 0.00 8 S 8.69 4.68 0.00 3.92 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 9 G 8.92 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 0.00 0.00 0.00 0.00 10 E 8.90 4.63 0.00 1.95 1.72 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 2.26 2.26 0.00 11 K 8.62 4.22 0.00 1.73 1.80 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.42 1.48 7.81 12 S 7.19 4.82 0.00 3.93 3.71 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 0.00 0.00 0.00 0.00 13 H 8.48 4.37 0.00 3.37 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.39 5.57 4.27 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 1.29 0.00 0.00 15 C 8.82 4.40 0.00 3.33 3.09 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 0.00 0.00 0.00 0.00 16 D 8.92 4.53 0.00 2.69 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 17 E 8.21 4.09 0.00 1.42 1.37 0.00 0.00 0.00 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 2.01 0.00 18 C 8.20 4.64 0.00 3.11 3.17 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 0.00 0.00 0.00 19 G 8.17 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.20 4.30 0.00 1.78 1.22 0.00 1.40 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.32 7.81 21 N 7.62 5.25 0.00 2.49 2.36 0.00 0.00 6.61 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 22 F 9.12 4.39 0.00 2.88 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.98 4.05 0.00 3.19 3.25 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 0.00 24 Y 6.95 4.81 0.00 3.15 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 25 I 8.55 3.32 1.38 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.07 0.87 0.00 0.00 26 S 8.33 4.10 0.00 4.09 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 27 A 8.26 3.95 1.05 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 0.00 0.00 28 L 7.43 2.44 0.00 1.36 1.63 0.80 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.44 3.82 0.00 1.90 1.93 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 30 I 7.37 3.80 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.28 0.91 0.00 0.00 31 H 7.97 4.21 0.00 3.24 2.88 0.00 5.80 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.38 4.20 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.46 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 33 R 7.60 4.09 0.00 1.92 1.97 0.00 3.22 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 34 V 7.91 3.73 1.98 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 0.76 0.00 0.00 0.62 0.00 0.00 35 H 8.37 4.55 0.00 3.21 3.33 0.00 5.69 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 M 6.89 3.95 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.83 0.00 37 G 8.29 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.14 4.42 0.00 1.97 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 2.31 2.33 0.00 39 K 7.73 4.70 0.00 1.67 1.64 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.41 7.81 40 C 8.74 4.83 0.00 3.02 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 41 S 7.93 4.57 0.00 3.82 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 42 G 8.29 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.19 2.19 0.00 3.71 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 1.98 1.98 0.00 44 S 7.54 4.80 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.22 4.25 0.00 3.82 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 46 G 8.74 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00