NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4567 8.3349 116.7957 58.7583 64.1406 173.2203 2 I 4.2978 8.2855 122.0426 60.9129 37.9404 175.1833 3 S 4.6903 7.3404 116.6313 56.5137 64.0403 172.5701 4 P 4.1382 0.0000 0.0000 64.2347 32.2763 178.2708 5 R 4.3195 7.0147 121.3202 55.1892 28.3132 175.1919 6 T 4.2425 7.5420 115.0592 60.1354 68.7575 172.2900 7 P 4.4711 0.0000 0.0000 61.6676 32.1967 174.4690 8 P 4.3020 0.0000 0.0000 63.4993 32.0733 175.2509 9 N 3.9161 8.5121 119.8074 52.8620 37.5557 172.8724 10 C 4.3712 8.0906 117.2998 58.6901 32.1859 174.1843 11 A 4.2237 8.4737 128.7962 54.1459 19.1040 179.4965 12 R 3.9457 8.2331 115.8523 59.6150 30.3894 177.4108 13 C 3.1365 8.0164 111.8484 59.6016 30.5918 175.6838 14 R 4.3480 7.3584 115.7456 58.2753 29.2500 178.2746 15 N 4.1919 7.3050 115.0235 56.2111 38.5444 175.2927 16 H 4.4801 7.3462 112.0007 54.9494 29.7261 175.0614 17 G 4.1775 7.7746 110.0337 45.7994 0.0000 173.5474 18 L 4.6171 7.8191 120.7081 53.1066 43.9219 175.6874 19 K 4.4964 8.1394 124.4249 55.4841 32.9595 175.3170 20 I 4.1206 8.0456 116.8217 60.0761 38.6322 177.9088 21 T 3.4529 7.8157 117.4525 62.8302 66.0547 171.8669 22 L 3.6964 7.2335 119.5620 55.4035 41.3295 173.9237 23 K 4.0382 7.8579 116.4526 56.7089 32.3454 177.6647 24 G 4.1581 8.6800 114.6500 47.0041 0.0000 170.5315 25 H 4.8933 8.1986 116.6517 55.5912 31.2420 177.5712 26 K 3.5548 9.8700 116.5598 57.2189 32.8677 175.8723 27 R 3.5676 8.6786 126.9478 59.8592 30.6698 176.2068 28 Y 4.1647 7.9720 113.3220 58.4766 37.6924 174.9781 29 C 4.2605 9.1042 122.2561 58.7345 31.4595 173.8972 30 K 4.4295 8.8872 129.3900 58.9156 31.8439 176.9772 31 F 4.5575 8.1214 115.6957 56.7991 39.2387 177.1900 32 R 3.7060 8.9486 119.7545 59.0335 28.7531 176.8254 33 Y 5.0093 7.4114 111.4538 57.0870 39.6403 174.4423 34 C 4.0917 7.9829 121.4713 60.1645 31.9111 173.5459 35 T 4.6545 8.2087 107.6869 59.8461 70.1488 173.8903 36 C 4.0542 8.2047 118.6822 58.7257 30.6980 173.5441 37 E 4.3023 8.5945 118.3148 57.2367 28.7683 177.2308 38 K 4.3647 7.8527 116.8161 58.2321 33.1564 177.7839 39 C 4.2984 7.9248 116.6882 62.1523 28.5008 176.0009 40 R 3.9703 7.8393 119.7432 59.1059 29.5053 178.7543 41 L 4.0116 7.4345 117.9889 58.6957 42.2878 178.6363 42 T 3.9702 7.6969 115.1967 65.9232 68.4245 176.1831 43 A 4.2184 8.3177 122.9502 55.6622 18.1847 179.2984 44 D 4.2749 7.9712 115.8363 57.3304 41.3676 177.9078 45 R 4.0275 8.2341 118.8256 59.4953 30.0823 178.3823 46 Q 4.0766 7.8592 116.2143 58.0898 29.4328 176.8735 47 R 4.0693 7.2489 119.0237 56.0928 30.7177 176.1037 48 V 4.3714 8.1287 122.1007 60.3479 33.4258 174.6897 49 M 4.5180 8.7881 123.0311 55.0812 34.0618 175.2078 50 A 4.7074 7.7225 119.6524 50.6757 22.3362 174.9912 51 L 4.8229 8.3876 121.1711 52.8744 44.7732 176.5436 52 Q 4.1997 8.4918 120.9679 56.2938 29.2096 175.2184 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 S 8.33 4.46 0.00 3.88 3.87 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 0.00 0.00 0.00 2 I 8.29 4.30 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.47 0.91 0.00 0.00 3 S 7.34 4.69 0.00 3.82 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 4 P 0.00 4.14 0.00 2.18 2.17 0.00 3.75 0.00 0.00 3.52 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 5 R 7.01 4.32 0.00 1.73 1.89 0.00 3.42 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 6 T 7.54 4.24 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 1.21 0.00 0.00 7 P 0.00 4.47 0.00 2.22 2.03 0.00 3.83 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 1.96 0.00 8 P 0.00 4.30 0.00 2.19 2.08 0.00 3.91 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 1.97 1.94 0.00 9 N 8.51 3.92 0.00 2.91 2.87 0.00 0.00 6.01 7.66 0.00 0.00 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 C 8.09 4.37 0.00 3.03 2.82 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 0.00 0.00 0.00 11 A 8.47 4.22 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 12 R 8.23 3.95 0.00 1.81 2.06 0.00 3.34 0.00 0.00 3.46 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 13 C 8.02 3.14 0.00 3.17 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.36 4.35 0.00 2.02 2.16 0.00 3.19 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 15 N 7.30 4.19 0.00 2.81 2.80 0.00 0.00 7.13 8.01 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 16 H 7.35 4.48 0.00 2.54 3.41 0.00 5.67 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 17 G 7.77 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.82 4.62 0.00 1.55 1.35 0.97 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.14 4.50 0.00 1.65 1.63 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.46 7.81 20 I 8.05 4.12 1.77 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.32 0.86 0.00 0.00 21 T 7.82 3.45 4.20 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 1.19 0.00 0.00 22 L 7.23 3.70 0.00 1.92 1.68 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.86 4.04 0.00 1.72 1.73 0.00 1.89 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.38 7.81 24 G 8.68 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 25 H 8.20 4.89 0.00 3.17 2.97 0.00 6.01 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 9.87 3.55 0.00 1.96 1.55 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.44 7.81 27 R 8.68 3.57 0.00 1.56 1.58 0.00 3.01 0.00 0.00 2.74 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.41 0.00 28 Y 7.97 4.16 0.00 2.99 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 29 C 9.10 4.26 0.00 2.78 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 30 K 8.89 4.43 0.00 1.61 0.88 0.00 1.30 0.00 0.00 1.18 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.03 1.27 7.81 31 F 8.12 4.56 0.00 3.25 3.16 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 32 R 8.95 3.71 0.00 1.28 1.91 0.00 2.92 0.00 0.00 2.99 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.59 0.00 33 Y 7.41 5.01 0.00 2.95 2.85 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 34 C 7.98 4.09 0.00 3.08 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 35 T 8.21 4.65 4.28 0.00 0.00 0.00 0.00 0.00 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 36 C 8.20 4.05 0.00 3.22 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 37 E 8.59 4.30 0.00 2.04 1.96 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 2.38 2.34 0.00 38 K 7.85 4.36 0.00 1.81 1.94 0.00 1.57 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.53 7.81 39 C 7.92 4.30 0.00 3.18 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 40 R 7.84 3.97 0.00 1.83 1.99 0.00 3.15 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.05 0.00 41 L 7.43 4.01 0.00 1.63 1.93 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.70 3.97 4.40 0.00 0.00 0.00 0.00 0.00 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 43 A 8.32 4.22 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 44 D 7.97 4.27 0.00 2.88 2.85 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 45 R 8.23 4.03 0.00 1.93 2.01 0.00 3.31 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 46 Q 7.86 4.08 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 47 R 7.25 4.07 0.00 1.95 1.84 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 48 V 8.13 4.37 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 0.75 0.00 0.00 0.93 0.00 0.00 49 M 8.79 4.52 0.00 1.96 2.08 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 2.47 2.44 0.00 50 A 7.72 4.71 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 51 L 8.39 4.82 0.00 1.61 1.56 0.92 0.85 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 52 Q 8.49 4.20 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.65 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00