NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4049 8.1633 120.2703 55.2191 34.6425 174.6402 2 Y 4.8528 7.7857 114.7337 55.6085 39.5577 173.5882 3 L 4.4568 9.7634 127.9084 54.9699 44.2541 175.9990 4 T 4.5116 8.5941 121.7851 63.2442 69.6725 175.0880 5 L 3.7406 8.5999 126.2342 58.7119 42.0579 179.4882 6 Q 3.9634 8.1462 118.4944 59.5104 29.0727 178.1663 7 E 4.0381 8.1949 118.9260 58.7126 29.5229 178.8981 8 W 3.8963 8.6655 129.0961 60.3704 30.4942 177.1885 9 N 4.1318 8.1807 115.3122 56.9404 38.4249 176.0672 10 A 4.0743 7.7517 120.2892 55.4338 18.4937 179.5645 11 R 4.0141 7.8033 115.2158 57.6099 30.2739 177.4460 12 Q 3.7165 7.1581 118.9217 55.0575 28.8651 175.5776 13 R 3.5982 8.5171 119.7932 57.3876 29.0226 173.9145 14 R 3.6574 8.5737 127.0122 55.0683 27.3470 172.1223 15 P 4.2828 0.0000 0.0000 62.3399 31.3626 176.2139 16 R 4.2514 7.8037 123.4054 56.6100 31.6388 176.5247 17 S 4.6043 7.0122 110.6034 56.1921 67.4088 175.3545 18 L 3.9505 8.3782 123.1425 58.0521 41.3588 179.6486 19 E 3.9196 8.0817 118.0924 59.4433 29.3819 179.2677 20 T 3.5788 7.8390 115.8627 66.5856 68.5402 176.6804 21 V 3.1308 7.0352 119.5899 65.8738 31.5168 177.9595 22 R 3.8523 8.0601 118.5012 59.2947 29.7821 178.3736 23 R 3.9168 8.2796 118.9214 59.3511 29.6069 178.4148 24 W 4.4477 8.3000 118.7197 59.8340 28.9945 178.6400 25 V 3.5541 8.0001 118.0594 66.1900 30.7735 178.2715 26 R 3.9491 7.7641 116.3018 59.4013 29.9704 178.6859 27 E 4.0449 8.5570 117.4403 56.9353 30.1684 176.8509 28 S 3.8037 7.8536 113.8774 60.3992 60.6751 172.1847 29 R 4.8069 7.7130 112.3393 56.0596 31.5862 176.9599 30 I 5.1539 8.0325 118.7365 59.6311 40.6916 174.9526 31 F 4.7811 9.4345 128.8717 55.4412 42.9025 172.2247 32 P 3.6042 0.0000 0.0000 61.4618 32.0130 174.3775 33 P 4.1374 0.0000 0.0000 61.8049 31.9913 174.4316 34 P 4.2728 0.0000 0.0000 62.6290 32.3833 175.7312 35 V 3.7292 8.2420 122.4459 62.0931 32.6271 174.9947 36 K 3.6030 8.3725 129.9366 56.0472 31.4267 175.8580 37 D 4.2634 7.9420 129.2892 55.6215 41.4202 176.3937 38 G 3.9237 7.5069 113.2089 46.0349 0.0000 174.1704 39 R 3.9743 7.5260 121.4548 57.9007 30.4209 175.9416 40 E 4.7383 7.5030 116.2257 54.2779 32.7628 173.1563 41 Y 4.3092 8.6151 120.3643 58.0547 39.3804 174.9231 42 L 4.8498 8.7985 124.6833 53.3069 43.4367 175.6185 43 F 4.7098 9.2422 123.9880 56.6632 40.7741 175.3248 44 H 4.7255 9.0281 123.0433 55.3923 31.0957 175.2012 45 E 4.7278 7.6752 123.5729 54.1990 27.1192 175.8753 46 S 5.1683 7.8275 126.6514 59.7195 64.0544 178.8344 47 A 4.5010 8.2118 123.3562 52.5509 18.4825 177.4930 48 V 4.9882 8.8648 114.8441 59.2067 37.0326 175.1508 49 K 4.6845 8.9792 121.8454 56.9672 32.3485 176.9356 50 V 4.0724 8.5562 125.9449 60.2477 32.6388 175.9877 51 D 4.2670 8.3499 125.8678 54.8040 39.1872 172.5773 52 L 4.4894 7.3400 118.5053 54.5910 42.9689 177.4047 53 N 4.6338 8.1151 120.5699 51.4381 37.2570 174.8921 54 R 4.5514 7.1993 118.1194 54.7657 31.0926 172.3018 55 P 4.4582 0.0000 0.0000 63.1718 32.5673 177.1520 56 V 4.5368 7.0459 119.8277 59.1641 34.5259 174.9522 57 T 3.7978 8.5147 112.9866 63.3277 68.8212 174.4955 58 G 3.7849 8.5161 110.0032 45.9583 0.0000 171.4535 59 S 4.4764 7.9533 118.3288 56.0137 63.6510 173.3491 60 L 4.4462 8.2222 127.4990 53.6825 42.6316 176.5322 61 L 4.7172 8.1760 122.7065 53.1792 44.8679 175.5470 62 K 4.5900 8.4411 125.9463 54.5958 35.3234 175.5032 63 R 4.4296 8.3868 121.6477 54.8598 31.2084 175.3575 64 I 4.3666 8.0957 118.4389 59.1621 39.7931 174.4229 65 R 4.5436 8.4361 127.7529 54.3704 31.9469 174.9345 66 N 4.6993 8.6088 123.2739 52.9051 40.3232 173.8727 67 G 4.4443 7.9970 110.0877 44.2302 0.0000 171.9429 68 K 4.4140 8.3121 118.8822 55.2339 35.0867 175.8625 69 K 4.4184 8.6900 125.6161 54.7360 33.3699 175.5260 70 A 4.7188 8.3908 126.6508 50.1065 21.1781 175.6484 71 K 4.3508 7.9541 120.8874 55.3136 34.5824 176.4405 72 S 4.1295 8.8400 121.3232 59.1855 62.7627 171.6422 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 8.16 4.40 0.00 1.67 1.97 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 2 Y 7.79 4.85 0.00 2.98 2.88 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 3 L 9.76 4.46 0.00 1.91 1.90 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.59 4.51 4.48 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 1.30 0.00 0.00 5 L 8.60 3.74 0.00 2.20 1.84 1.09 0.78 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 6 Q 8.15 3.96 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 7 E 8.19 4.04 0.00 2.16 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 2.43 2.44 0.00 8 W 8.67 3.90 0.00 3.08 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 9 N 8.18 4.13 0.00 2.76 2.99 0.00 0.00 7.24 7.41 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 10 A 7.75 4.07 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.80 4.01 0.00 1.74 1.82 0.00 3.33 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 12 Q 7.16 3.72 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.31 0.00 0.00 0.00 0.00 0.00 1.37 1.75 0.00 13 R 8.52 3.60 0.00 1.88 1.97 0.00 3.13 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 14 R 8.57 3.66 0.00 1.96 2.03 0.00 3.25 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 15 P 0.00 4.28 0.00 2.17 2.17 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 16 R 7.80 4.25 0.00 1.73 1.84 0.00 3.36 0.00 0.00 3.35 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 17 S 7.01 4.60 0.00 3.94 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 18 L 8.38 3.95 0.00 1.68 1.74 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.08 3.92 0.00 1.96 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 2.37 0.00 20 T 7.84 3.58 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 0.78 0.00 0.00 21 V 7.04 3.13 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 1.10 0.00 0.00 0.77 0.00 0.00 22 R 8.06 3.85 0.00 1.99 1.87 0.00 3.31 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 23 R 8.28 3.92 0.00 2.08 2.07 0.00 3.24 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.94 0.00 24 W 8.30 4.45 0.00 3.56 3.19 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 25 V 8.00 3.55 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 0.60 0.00 0.00 0.86 0.00 0.00 26 R 7.76 3.95 0.00 2.02 2.00 0.00 3.23 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 27 E 8.56 4.04 0.00 2.13 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 0.00 2.41 2.44 0.00 28 S 7.85 3.80 0.00 4.06 3.97 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 29 R 7.71 4.81 0.00 1.76 1.83 0.00 2.98 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 30 I 8.03 5.15 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.77 0.99 0.00 0.00 31 F 9.43 4.78 0.00 3.09 2.86 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 0.00 0.00 0.00 32 P 0.00 3.60 0.00 1.88 1.78 0.00 3.90 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 33 P 0.00 4.14 0.00 2.02 1.90 0.00 3.12 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 34 P 0.00 4.27 0.00 1.53 0.49 0.00 3.33 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.51 0.00 35 V 8.24 3.73 1.55 0.00 0.00 0.00 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 0.85 0.00 0.00 36 K 8.37 3.60 0.00 1.08 1.42 0.00 1.59 0.00 0.00 1.43 0.00 0.00 2.71 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.01 0.52 7.81 37 D 7.94 4.26 0.00 2.52 2.54 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 38 G 7.51 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 0.00 0.00 0.00 39 R 7.53 3.97 0.00 1.73 1.93 0.00 3.25 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 40 E 7.50 4.74 0.00 2.00 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 2.38 2.43 0.00 41 Y 8.62 4.31 0.00 2.93 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.80 4.85 0.00 1.24 1.18 0.67 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 43 F 9.24 4.71 0.00 3.15 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 44 H 9.03 4.73 0.00 3.38 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.68 4.73 0.00 2.28 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 0.00 2.31 2.15 0.00 46 S 7.83 5.17 0.00 4.11 4.13 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 47 A 8.21 4.50 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 48 V 8.86 4.99 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 0.91 0.00 0.00 1.09 0.00 0.00 49 K 8.98 4.68 0.00 1.61 1.70 0.00 1.81 0.00 0.00 1.89 0.00 0.00 2.38 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.12 1.66 7.81 50 V 8.56 4.07 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 0.71 0.00 0.00 0.84 0.00 0.00 51 D 8.35 4.27 0.00 2.74 2.65 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 0.00 0.00 0.00 52 L 7.34 4.49 0.00 1.62 1.50 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.12 4.63 0.00 2.66 2.74 0.00 0.00 6.75 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.20 4.55 0.00 1.67 1.71 0.00 3.31 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 55 P 0.00 4.46 0.00 2.21 2.03 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 56 V 7.05 4.54 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 0.68 0.00 0.00 0.93 0.00 0.00 57 T 8.51 3.80 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 1.22 0.00 0.00 58 G 8.52 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 0.00 0.00 0.00 59 S 7.95 4.48 0.00 3.79 3.76 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 60 L 8.22 4.45 0.00 1.65 1.57 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.18 4.72 0.00 1.51 1.48 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.44 4.59 0.00 1.68 1.59 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.40 7.81 63 R 8.39 4.43 0.00 1.95 1.90 0.00 3.02 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 1.54 1.60 0.00 64 I 8.10 4.37 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 0.83 0.91 0.00 0.00 65 R 8.44 4.54 0.00 1.78 1.77 0.00 3.28 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 66 N 8.61 4.70 0.00 2.72 2.70 0.00 0.00 6.87 7.98 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 67 G 8.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.31 4.41 0.00 1.68 1.64 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.40 7.81 69 K 8.69 4.42 0.00 1.77 1.72 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.41 7.81 70 A 8.39 4.72 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 71 K 7.95 4.35 0.00 1.65 1.66 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.48 7.81 72 S 8.84 4.13 0.00 4.06 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