NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6343 8.2893 118.3310 55.3149 32.8562 174.0283 2 L 4.5433 8.4608 121.0894 53.5980 44.6742 171.0528 3 E 4.6666 8.6419 119.4191 54.2095 32.8056 176.0058 4 G 4.5782 8.6945 110.4902 44.3815 0.0000 171.8980 5 K 4.9447 8.4725 119.1100 54.3901 35.4399 175.8231 6 V 3.8043 8.0355 125.0479 62.3161 31.7677 175.5320 7 K 4.5265 8.2825 127.5156 56.8353 33.7962 176.4636 8 W 4.4843 6.7033 115.3895 56.2122 30.1849 173.5300 9 F 5.1474 9.4594 123.6569 56.8600 41.3889 174.5746 10 N 5.2434 8.6417 123.5197 53.0264 40.1723 177.2032 11 S 4.3084 8.9801 114.9738 61.8949 63.2102 176.4000 12 E 3.9505 8.4001 119.0679 59.1062 29.1832 178.2943 13 K 4.0237 7.7852 114.2839 56.8887 31.7564 177.7326 14 G 4.1720 7.9563 107.1494 44.4228 0.0000 173.2667 15 F 4.3490 6.5677 114.0914 56.7632 40.4348 172.5509 16 G 3.4001 7.7279 104.7780 44.2040 0.0000 171.5669 17 F 4.5422 6.2319 119.8706 55.2490 41.6280 175.2016 18 I 4.7040 8.0536 123.0721 59.6769 40.7043 174.1909 19 E 5.0786 8.9019 124.2104 54.5908 33.1299 174.5772 20 V 4.9220 8.4020 125.7513 59.4155 35.0675 175.0103 21 E 4.2534 8.8628 121.7043 57.6862 29.9857 177.5249 22 G 4.0070 9.3146 109.5758 45.8134 0.0000 172.3660 23 Q 4.5074 7.7591 116.4426 54.8057 33.0476 172.2628 24 D 4.9060 8.1284 117.3673 53.2432 43.4440 173.9765 25 D 5.1783 8.4718 118.7876 54.2735 41.4584 176.4469 26 V 3.6699 8.1710 124.6065 61.6240 32.4940 174.8951 27 F 3.5357 8.5610 130.6201 58.8119 39.8675 174.5942 28 V 4.4506 7.2211 117.5421 59.8983 35.8022 174.0754 29 H 4.9946 8.3993 121.9861 54.2720 33.2870 173.9232 30 F 4.5999 8.3559 117.9537 58.4475 37.9527 175.7822 31 S 4.4935 7.8489 115.8346 60.6198 62.6649 174.5993 32 A 4.3832 7.8745 122.0335 54.4681 19.2933 178.6082 33 I 4.2075 7.9750 112.7749 61.1356 37.1884 176.0704 34 Q 4.2985 7.2637 118.5496 56.9794 28.3662 174.9426 35 G 3.9902 8.2204 104.3482 44.7447 0.0000 171.2755 36 E 3.7001 8.8965 118.4855 57.3883 28.9631 177.2436 37 G 4.0045 8.6016 113.0601 44.6014 0.0000 173.0177 38 F 4.5664 8.5165 121.8463 56.7503 37.7701 174.6320 39 K 4.1854 7.7343 124.7084 54.2627 34.8246 175.7245 40 T 4.3303 7.6740 116.6567 62.1705 70.3125 174.3589 41 L 4.5089 7.6455 121.1633 53.0542 45.1850 176.1968 42 E 4.6143 8.0583 120.9240 53.8758 32.2770 174.8366 43 E 3.9267 8.4944 120.1025 58.1185 29.7903 177.1727 44 G 3.8488 8.8038 111.7093 44.8340 0.0000 172.9631 45 Q 3.9803 7.7067 121.1590 56.5422 29.9602 174.7158 46 A 5.0121 8.4820 129.1024 51.1016 20.8371 176.1403 47 V 4.9400 8.6394 114.1255 59.7534 37.0738 174.1577 48 S 4.8948 8.5437 116.4675 56.7661 65.1804 172.9870 49 F 5.1837 7.7413 120.4380 56.5179 41.7014 172.4214 50 E 5.0473 9.0044 116.4919 54.1986 30.3758 175.1946 51 I 3.9211 8.7872 126.8788 62.1987 38.1364 175.7531 52 V 4.6177 8.5137 119.8158 59.5020 35.5856 173.6315 53 E 4.7824 8.7811 120.2647 55.1621 31.7958 176.0166 54 G 4.1405 8.5060 112.8585 42.8819 0.0000 172.6812 55 N 4.0753 8.8329 117.2604 57.0305 38.6204 175.9009 56 R 4.1513 7.7319 113.6373 56.4656 30.1145 176.2935 57 G 3.8061 8.2624 106.2550 43.2361 0.0000 171.5950 58 P 5.3156 0.0000 0.0000 63.1597 32.1166 175.9331 59 Q 4.5048 8.0723 116.5238 55.0112 32.9671 173.6060 60 A 4.3499 8.1940 123.8809 51.8616 19.0489 176.9991 61 A 4.3806 8.5331 118.9986 53.1964 22.0809 177.0293 62 N 5.1701 7.8300 110.2675 52.5647 37.8531 174.5519 63 V 4.3572 7.5825 119.5390 63.7591 34.1881 174.8057 64 T 4.8468 8.7306 118.9095 62.1218 73.6991 172.9210 65 K 4.3986 8.4989 124.1746 55.9784 33.0561 175.9805 66 E 3.9279 8.8644 128.2211 56.9419 29.4533 176.5869 67 A 4.0711 8.4473 128.5424 52.5564 18.8080 176.8424 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 8.29 4.63 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 2 L 8.46 4.54 0.00 1.54 1.70 0.31 0.24 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 3 E 8.64 4.67 0.00 1.82 1.71 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 2.09 2.11 0.00 4 G 8.69 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.47 4.94 0.00 1.73 1.70 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.37 7.81 6 V 8.04 3.80 2.13 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 0.91 0.00 0.00 1.16 0.00 0.00 7 K 8.28 4.53 0.00 1.69 1.73 0.00 2.10 0.00 0.00 1.91 0.00 0.00 3.19 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.72 7.81 8 W 6.70 4.48 0.00 3.50 3.23 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 9 F 9.46 5.15 0.00 3.01 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.64 5.24 0.00 3.21 2.47 0.00 0.00 6.33 6.50 0.00 0.00 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 S 8.98 4.31 0.00 4.22 4.75 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 12 E 8.40 3.95 0.00 1.97 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 0.00 2.35 2.38 0.00 13 K 7.79 4.02 0.00 1.52 1.46 0.00 1.48 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.32 7.81 14 G 7.96 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 15 F 6.57 4.35 0.00 2.85 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 16 G 7.73 3.40 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 0.00 0.00 0.00 0.00 17 F 6.23 4.54 0.00 1.51 2.48 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 18 I 8.05 4.70 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.74 1.10 0.00 0.00 19 E 8.90 5.08 0.00 2.09 1.75 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 2.23 2.43 0.00 20 V 8.40 4.92 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 0.84 0.00 0.00 1.06 0.00 0.00 21 E 8.86 4.25 0.00 2.11 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 2.28 2.32 0.00 22 G 9.31 4.01 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 0.00 0.00 0.00 23 Q 7.76 4.51 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 24 D 8.13 4.91 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.47 5.18 0.00 2.67 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 26 V 8.17 3.67 1.82 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 0.18 0.00 0.00 0.39 0.00 0.00 27 F 8.56 3.54 0.00 2.67 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 28 V 7.22 4.45 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 0.61 0.00 0.00 0.45 0.00 0.00 29 H 8.40 4.99 0.00 3.20 2.93 0.00 5.87 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.36 4.60 0.00 3.57 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.85 4.49 0.00 3.78 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 32 A 7.87 4.38 1.32 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 33 I 7.98 4.21 2.18 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.92 1.08 0.00 0.00 34 Q 7.26 4.30 0.00 2.34 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.61 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 35 G 8.22 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 36 E 8.90 3.70 0.00 2.09 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 2.28 2.33 0.00 37 G 8.60 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 0.00 0.00 0.00 38 F 8.52 4.57 0.00 2.99 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 39 K 7.73 4.19 0.00 1.62 1.53 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.29 7.81 40 T 7.67 4.33 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 41 L 7.65 4.51 0.00 0.27 0.98 0.54 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.06 4.61 0.00 2.00 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 2.29 2.30 0.00 43 E 8.49 3.93 0.00 2.00 1.91 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 2.39 2.35 0.00 44 G 8.80 3.85 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 0.00 0.00 0.00 45 Q 7.71 3.98 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.20 0.00 46 A 8.48 5.01 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 47 V 8.64 4.94 2.40 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 0.85 0.00 0.00 1.27 0.00 0.00 48 S 8.54 4.89 0.00 3.78 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 49 F 7.74 5.18 0.00 3.12 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.00 5.05 0.00 2.00 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 2.23 2.39 0.00 51 I 8.79 3.92 2.02 0.00 0.00 1.11 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 0.52 0.93 0.00 0.00 52 V 8.51 4.62 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 0.74 0.00 0.00 0.92 0.00 0.00 53 E 8.78 4.78 0.00 1.78 1.82 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 2.18 2.26 0.00 54 G 8.51 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.83 4.08 0.00 2.64 2.84 0.00 0.00 6.94 7.62 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 56 R 7.73 4.15 0.00 1.70 1.82 0.00 3.33 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 57 G 8.26 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.32 0.00 2.06 2.05 0.00 3.39 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.83 0.00 59 Q 8.07 4.50 0.00 1.85 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.23 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 60 A 8.19 4.35 0.20 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 0.00 0.00 61 A 8.53 4.38 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.83 5.17 0.00 2.61 2.80 0.00 0.00 6.85 7.69 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 63 V 7.58 4.36 2.17 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 1.29 0.00 0.00 0.85 0.00 0.00 64 T 8.73 4.85 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 1.25 0.00 0.00 65 K 8.50 4.40 0.00 1.77 1.70 0.00 1.99 0.00 0.00 1.60 0.00 0.00 2.62 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.39 7.81 66 E 8.86 3.93 0.00 2.22 1.88 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 2.33 2.38 0.00 67 A 8.45 4.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00