NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7838 8.2048 120.4470 55.6551 33.6406 174.1991 2 R 5.0315 8.8798 123.9505 53.8744 34.6361 172.7389 3 A 4.9030 9.0786 121.7787 49.8452 23.1357 175.0440 4 C 4.3839 8.9899 122.7574 59.6214 32.1078 175.0413 5 L 4.1234 8.8197 126.0697 57.0112 41.7079 178.1709 6 K 4.3003 8.1873 118.5403 57.8310 32.5512 176.5930 7 C 4.6796 7.8434 110.2203 57.1114 30.6672 175.0706 8 K 4.1146 8.3437 119.5421 56.5172 30.4444 174.9197 9 Y 3.7871 7.4959 120.4703 58.2901 39.6219 175.0573 10 L 4.4981 7.2366 126.8004 53.8780 42.8405 175.9328 11 T 4.4137 8.5642 116.8606 61.2998 70.5980 174.0450 12 N 4.4725 8.8063 122.7035 55.1140 39.1731 175.2153 13 D 4.4620 7.8203 118.2288 54.2976 41.8875 175.9841 14 E 4.5267 8.6574 123.7159 57.4823 30.6356 176.2363 15 I 5.0034 7.7916 120.1899 59.0752 40.8955 174.9617 16 C 4.2744 9.1070 128.0254 59.0057 31.8038 172.8617 17 P 4.2878 0.0000 0.0000 64.8329 31.3949 177.7722 18 I 3.7844 7.3366 118.7988 63.3419 37.6027 176.3848 19 C 4.4799 7.5586 111.7063 57.5241 30.2561 174.5045 20 H 4.1247 8.1528 116.3902 56.4219 26.6858 174.8619 21 S 4.6258 7.3185 114.6097 56.8442 64.9383 172.0518 22 P 4.9605 0.0000 0.0000 63.1666 32.4332 175.6562 23 T 5.0716 8.4960 112.2537 60.2835 72.1688 172.9915 24 S 4.8989 8.9030 116.0593 56.7588 65.7742 174.6708 25 E 4.4882 9.1517 124.1558 58.4124 30.0197 177.2496 26 N 4.8243 8.1408 120.5834 51.7052 37.3134 173.3837 27 W 5.7120 7.5341 118.1994 54.3733 32.4892 175.3120 28 I 4.4903 9.1209 120.4673 60.9896 41.4221 176.3042 29 G 4.4121 9.7303 110.2852 45.7889 0.0000 171.7655 30 L 5.2542 8.1872 120.7468 53.0474 45.2336 175.2198 31 L 4.6850 9.3601 128.2074 53.5047 44.9237 175.0273 32 I 4.7077 8.4819 128.0262 59.9862 38.6489 175.5955 33 V 4.1162 8.9766 129.1076 61.8316 32.1153 176.4388 34 I 3.8855 8.5542 129.2762 63.0033 37.9350 175.7527 35 N 4.8531 7.6760 120.2474 50.6196 39.5124 172.3428 36 P 4.2806 0.0000 0.0000 65.3345 31.8272 178.0902 37 E 4.0800 8.3814 116.2496 58.8266 29.3996 178.3830 38 K 4.5560 7.9049 114.7606 55.3191 33.1701 176.7432 39 S 4.4388 7.6622 115.5776 57.1646 63.1103 173.9501 40 E 3.9645 8.7057 130.6099 59.2938 29.5586 178.5961 41 I 3.6591 7.7219 119.2846 64.2153 37.2547 177.8397 42 A 3.9223 8.3646 122.0204 55.2282 18.1636 179.8509 43 K 3.8849 7.8496 116.2491 59.6632 31.9405 179.8060 44 K 3.9967 8.0444 117.2313 58.9387 32.0202 178.3114 45 A 4.3597 7.8159 118.5273 51.3892 18.8165 177.4852 46 G 3.7597 7.6849 105.2096 46.3179 0.0000 173.5608 47 I 4.1830 7.9427 121.1209 59.3736 38.2062 175.4630 48 D 4.9043 8.6440 122.5910 52.5454 40.2101 175.1344 49 I 4.6579 7.5074 118.8918 58.7273 40.9906 174.9859 50 K 4.3203 8.8493 126.1974 56.3896 33.2187 177.1971 51 G 3.9808 7.3900 107.5921 45.3799 0.0000 170.7225 52 K 5.0101 7.1521 117.9400 54.7425 35.0000 175.4131 53 Y 5.0260 8.9232 120.7271 55.9353 42.1341 175.1355 54 A 5.1053 8.4941 124.3086 51.5292 19.0736 177.5299 55 L 4.5294 8.9488 119.6320 56.6441 42.7666 177.6421 56 S 4.8588 7.9822 111.3144 56.9875 66.7036 173.3738 57 V 5.0677 8.2520 119.5108 61.7480 34.4982 173.8873 58 K 4.7988 8.9631 124.6980 54.3771 36.7170 176.3815 59 E 4.1538 8.7447 119.9265 56.9468 29.3998 177.2285 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 8.20 4.78 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 2 R 8.88 5.03 0.00 1.89 2.01 0.00 3.15 0.00 0.00 3.47 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 3 A 9.08 4.90 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 4 C 8.99 4.38 0.00 3.05 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 5 L 8.82 4.12 0.00 1.71 1.75 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.19 4.30 0.00 1.72 1.83 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.42 7.81 7 C 7.84 4.68 0.00 3.20 3.15 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 8 K 8.34 4.11 0.00 2.21 2.24 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.43 7.81 9 Y 7.50 3.79 0.00 2.93 2.71 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 10 L 7.24 4.50 0.00 0.98 1.02 0.31 -0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.56 4.41 4.30 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 1.27 0.00 0.00 12 N 8.81 4.47 0.00 2.79 2.85 0.00 0.00 6.51 8.08 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 13 D 7.82 4.46 0.00 2.66 2.71 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 14 E 8.66 4.53 0.00 1.98 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 2.41 2.20 0.00 15 I 7.79 5.00 1.88 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 1.13 0.62 0.94 0.00 0.00 16 C 9.11 4.27 0.00 2.98 2.84 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 17 P 0.00 4.29 0.00 1.86 2.02 0.00 3.55 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 18 I 7.34 3.78 1.64 0.00 0.00 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 1.09 -0.31 0.81 0.00 0.00 19 C 7.56 4.48 0.00 3.04 3.07 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 0.00 0.00 0.00 0.00 20 H 8.15 4.12 0.00 3.33 3.49 0.00 5.84 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.32 4.63 0.00 4.05 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 22 P 0.00 4.96 0.00 2.12 2.03 0.00 3.57 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 23 T 8.50 5.07 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 1.22 0.00 0.00 24 S 8.90 4.90 0.00 3.90 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 25 E 9.15 4.49 0.00 2.05 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 0.00 2.42 2.37 0.00 26 N 8.14 4.82 0.00 2.81 3.03 0.00 0.00 6.53 7.83 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 27 W 7.53 5.71 0.00 3.53 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.12 4.49 1.93 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.97 0.93 0.00 0.00 29 G 9.73 4.41 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 0.00 30 L 8.19 5.25 0.00 1.80 1.61 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 31 L 9.36 4.69 0.00 1.75 1.54 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.48 4.71 1.89 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 1.21 0.73 0.92 0.00 0.00 33 V 8.98 4.12 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 0.98 0.00 0.00 0.92 0.00 0.00 34 I 8.55 3.89 1.89 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 1.31 0.71 0.92 0.00 0.00 35 N 7.68 4.85 0.00 2.67 2.66 0.00 0.00 7.17 7.71 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 36 P 0.00 4.28 0.00 2.09 2.11 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 37 E 8.38 4.08 0.00 2.11 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 2.32 2.40 0.00 38 K 7.90 4.56 0.00 1.73 1.83 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.41 7.81 39 S 7.66 4.44 0.00 3.95 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 40 E 8.71 3.96 0.00 2.07 1.92 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 2.37 2.39 0.00 41 I 7.72 3.66 1.86 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 1.57 0.76 0.90 0.00 0.00 42 A 8.36 3.92 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 43 K 7.85 3.88 0.00 1.96 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.58 7.81 44 K 8.04 4.00 0.00 1.84 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.59 7.81 45 A 7.82 4.36 1.25 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 46 G 7.68 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 0.00 0.00 0.00 47 I 7.94 4.18 1.61 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.44 0.53 0.00 0.00 48 D 8.64 4.90 0.00 2.72 2.68 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 49 I 7.51 4.66 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.98 0.99 0.00 0.00 50 K 8.85 4.32 0.00 2.12 1.86 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.50 7.81 51 G 7.39 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.15 5.01 0.00 1.31 1.49 0.00 1.48 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.26 7.81 53 Y 8.92 5.03 0.00 2.75 2.77 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 54 A 8.49 5.11 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 55 L 8.95 4.53 0.00 1.74 1.78 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.98 4.86 0.00 3.89 3.95 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 57 V 8.25 5.07 2.16 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 0.96 0.00 0.00 1.09 0.00 0.00 58 K 8.96 4.80 0.00 1.64 1.66 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.44 7.81 59 E 8.74 4.15 0.00 1.98 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 2.34 2.33 0.00