NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5376 8.3649 120.1909 53.9398 43.0309 175.3980 3 S 4.3769 7.8477 114.1334 56.0753 63.8592 168.4844 4 V 3.9546 9.0841 127.0272 62.0996 32.6945 174.4091 5 E 4.7708 8.3047 125.2906 53.9417 33.5552 174.9320 6 K 4.1639 8.4541 121.5288 56.2914 32.7668 176.1729 7 I 4.5191 8.1850 126.0268 59.4568 40.2601 174.5789 8 V 4.2891 8.4475 124.9467 60.8990 32.9316 174.4411 9 L 4.6927 8.3268 126.8418 52.8029 43.6415 175.7318 10 E 4.2448 8.7382 123.5467 55.7799 30.1546 176.1162 11 L 4.7484 8.2809 123.5858 53.3548 43.8048 176.0608 12 S 4.6250 8.3650 115.9826 58.2411 66.6568 174.7003 13 G 4.0476 9.1774 111.3496 45.4204 0.0000 174.0397 14 L 4.5164 7.5805 117.7125 54.8091 42.4952 176.1345 15 S 4.5158 7.5233 111.5810 57.2074 65.1574 174.6427 16 C 4.7965 8.3531 121.6968 55.0836 38.0238 174.0065 17 H 4.0839 8.5830 125.3215 58.2288 28.8986 177.8370 18 H 4.3876 8.1719 115.4695 58.5274 28.4695 178.1063 19 C 4.2989 7.6266 118.1194 59.3277 40.9102 176.0971 20 V 3.3295 7.3725 119.7486 65.8661 31.0681 177.9334 21 A 3.9959 7.8969 120.0485 54.9484 18.2488 179.4465 22 R 3.8404 7.6772 117.4443 59.6553 30.2222 178.9908 23 V 3.6011 7.7959 118.1307 65.5468 31.4062 177.8448 24 K 3.8462 7.9962 119.4552 59.4645 32.1249 178.7834 25 K 4.1390 8.4461 119.7839 58.8761 32.1537 178.9704 26 A 4.0398 8.0647 120.8255 55.3906 18.2237 179.7407 27 L 3.9556 8.0368 117.2394 57.9042 41.1556 179.6165 28 E 4.7385 8.2098 119.8986 59.1731 29.2246 179.3430 29 E 4.0620 8.5901 117.3517 58.9229 29.5661 178.3747 30 A 4.4295 7.6001 118.1145 52.4187 18.8340 177.9947 31 G 3.9400 8.5446 106.4256 44.7648 0.0000 173.5596 32 A 4.3823 8.0353 121.7070 50.4229 21.4508 176.7207 33 K 4.4263 8.1937 121.4288 54.5560 33.7932 175.6889 34 V 3.9868 8.2881 128.7623 63.0811 31.3424 175.3190 35 E 4.4328 8.9688 128.0863 57.7798 30.8785 176.4402 36 K 4.4983 7.7199 117.2801 55.8914 35.6639 174.8743 37 V 4.7236 8.1057 124.1387 60.9956 34.1100 172.3325 38 D 4.8886 8.5495 125.8576 51.9803 41.5587 174.9710 39 L 4.0095 8.6678 116.8564 57.7520 41.7306 177.4866 40 N 4.8135 8.4120 113.9987 53.1313 39.8604 174.0399 41 E 4.6445 7.7108 114.5191 55.1764 32.1351 173.5199 42 A 4.9454 8.3003 120.5653 50.2226 22.0266 175.4046 43 V 4.3300 9.1884 123.4208 61.2289 33.6590 175.0224 44 V 4.9130 8.3886 119.6454 59.4754 36.0872 174.9472 45 A 4.5213 8.9975 124.8749 51.0209 20.3944 176.1426 46 G 4.3173 8.2103 111.7092 45.8892 0.0000 170.1412 47 N 4.8405 8.7726 117.5599 51.4159 39.4301 176.1132 48 K 4.0773 8.8746 124.8968 59.4249 32.3399 177.9568 49 E 4.0891 8.0870 114.6387 58.0299 30.0816 177.2915 50 D 4.4345 8.2020 119.8386 53.9159 40.8408 177.9244 51 V 3.5402 7.0753 120.5897 66.4330 31.4462 177.5388 52 D 4.2912 7.9786 116.9138 57.1663 41.0514 178.0014 53 K 3.8634 7.6454 119.6227 59.7400 32.3702 178.2864 54 Y 4.4071 7.8694 117.3303 61.1512 37.7746 178.4540 55 I 3.8054 8.0942 120.9032 64.4184 37.1864 178.6421 56 K 4.2778 8.6127 120.5163 58.8654 31.9121 179.2782 57 A 4.0785 8.0948 121.0704 55.0766 18.2762 179.9219 58 V 3.6520 7.8491 116.5088 66.1877 31.5552 178.1831 59 E 4.8335 8.5950 119.4949 59.0879 29.1224 179.2460 60 A 4.1052 8.3127 119.7563 54.8682 18.4924 178.9877 61 A 4.2436 7.7187 117.6961 52.8731 18.6057 178.1729 62 G 3.6904 7.8093 106.0136 45.2550 0.0000 172.8809 63 Y 4.8489 8.0004 117.5601 56.1245 41.6070 173.9188 64 Q 4.9205 8.7471 117.7198 54.6508 31.7270 175.0516 65 A 4.7844 8.2904 122.8088 50.4369 22.3786 175.4753 66 K 4.5884 8.2916 120.8283 54.1956 35.4117 175.8654 67 L 4.0241 8.5772 127.9497 54.9747 42.6439 175.8611 68 R 4.4715 8.2975 126.1612 54.9858 30.7190 174.9073 69 S 4.5549 8.0325 118.4803 57.3156 65.3547 174.1892 70 S 4.5022 8.4548 116.0594 57.5150 63.7859 174.0221 71 A 4.0090 8.2940 122.1485 53.9944 18.2478 178.0457 72 W 4.3676 7.8726 116.0471 56.2210 29.9263 176.6544 73 S 4.4208 8.7166 115.5677 58.6168 62.7995 173.9732 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 D 8.36 4.54 0.00 2.63 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 3 S 7.85 4.38 0.00 3.97 3.78 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 4 V 9.08 3.95 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 0.80 0.00 0.00 0.93 0.00 0.00 5 E 8.30 4.77 0.00 1.93 1.79 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 2.20 2.44 0.00 6 K 8.45 4.16 0.00 1.71 1.71 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 7 I 8.19 4.52 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 0.96 0.91 0.00 0.00 8 V 8.45 4.29 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 0.86 0.00 0.00 0.93 0.00 0.00 9 L 8.33 4.69 0.00 1.64 1.55 0.92 0.98 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 10 E 8.74 4.24 0.00 1.95 1.89 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 2.30 2.26 0.00 11 L 8.28 4.75 0.00 1.63 1.59 0.93 0.86 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 12 S 8.36 4.62 0.00 3.80 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 G 9.18 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 0.00 0.00 0.00 14 L 7.58 4.52 0.00 1.63 1.72 0.93 0.82 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 15 S 7.52 4.52 0.00 3.85 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 16 C 8.35 4.80 0.00 2.93 2.95 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 17 H 8.58 4.08 0.00 3.30 3.34 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.17 4.39 0.00 3.34 3.58 0.00 5.46 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 C 7.63 4.30 0.00 2.98 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 20 V 7.37 3.33 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 0.99 0.00 0.00 0.86 0.00 0.00 21 A 7.90 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.68 3.84 0.00 1.92 2.18 0.00 3.51 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.74 0.00 23 V 7.80 3.60 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 0.87 0.00 0.00 0.54 0.00 0.00 24 K 8.00 3.85 0.00 1.93 1.98 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.45 7.81 25 K 8.45 4.14 0.00 1.85 1.86 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.57 7.81 26 A 8.06 4.04 1.49 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 27 L 8.04 3.96 0.00 1.81 1.56 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.21 4.74 0.00 2.14 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 0.00 2.29 2.48 0.00 29 E 8.59 4.06 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 30 A 7.60 4.43 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.54 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 32 A 8.04 4.38 0.52 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 0.00 0.00 33 K 8.19 4.43 0.00 1.89 1.86 0.00 1.49 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.52 7.81 34 V 8.29 3.99 2.03 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 0.81 0.00 0.00 0.85 0.00 0.00 35 E 8.97 4.43 0.00 1.94 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 2.24 2.36 0.00 36 K 7.72 4.50 0.00 1.76 1.55 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.35 7.81 37 V 8.11 4.72 2.03 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 0.67 0.00 0.00 0.86 0.00 0.00 38 D 8.55 4.89 0.00 2.69 2.66 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 0.00 0.00 0.00 0.00 39 L 8.67 4.01 0.00 1.61 1.71 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.41 4.81 0.00 2.65 2.83 0.00 0.00 6.83 7.46 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 41 E 7.71 4.64 0.00 2.09 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 0.00 2.32 2.27 0.00 42 A 8.30 4.95 1.15 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 0.00 0.00 43 V 9.19 4.33 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 1.03 0.00 0.00 0.92 0.00 0.00 44 V 8.39 4.91 1.94 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 0.60 0.00 0.00 0.73 0.00 0.00 45 A 9.00 4.52 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 46 G 8.21 4.32 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 0.00 47 N 8.77 4.84 0.00 2.95 3.24 0.00 0.00 7.06 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.87 4.08 0.00 1.81 1.84 0.00 1.74 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.48 7.81 49 E 8.09 4.09 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 50 D 8.20 4.43 0.00 2.26 1.68 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 0.00 0.00 0.00 0.00 51 V 7.08 3.54 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 1.02 0.00 0.00 1.05 0.00 0.00 52 D 7.98 4.29 0.00 2.71 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 53 K 7.65 3.86 0.00 1.71 1.57 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.49 1.51 7.81 54 Y 7.87 4.41 0.00 3.15 2.87 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 55 I 8.09 3.81 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.98 1.01 0.00 0.00 56 K 8.61 4.28 0.00 1.94 1.87 0.00 1.70 0.00 0.00 1.98 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.82 1.46 7.81 57 A 8.09 4.08 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 58 V 7.85 3.65 2.31 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 1.14 0.00 0.00 1.06 0.00 0.00 59 E 8.59 4.83 0.00 2.23 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 0.00 2.48 2.45 0.00 60 A 8.31 4.11 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.72 4.24 1.59 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 0.00 0.00 62 G 7.81 3.69 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 0.00 0.00 0.00 63 Y 8.00 4.85 0.00 3.11 2.89 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 64 Q 8.75 4.92 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 65 A 8.29 4.78 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 66 K 8.29 4.59 0.00 1.68 1.64 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.42 7.81 67 L 8.58 4.02 0.00 1.66 1.58 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.30 4.47 0.00 1.81 1.84 0.00 3.34 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 69 S 8.03 4.55 0.00 4.02 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 70 S 8.45 4.50 0.00 4.39 4.15 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 71 A 8.29 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 W 7.87 4.37 0.00 3.51 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.72 4.42 0.00 4.01 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