NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3725 8.3049 120.3282 56.4950 32.5807 174.7217 2 Q 3.2638 8.2557 125.1457 56.1257 26.3338 172.1770 3 K 4.3787 8.3389 118.6199 57.9696 35.6578 175.4812 4 D 4.5726 7.7283 118.5749 53.6646 41.6936 176.3077 5 L 4.1977 8.0917 121.1807 54.7212 42.3356 176.9839 6 H 4.3447 9.0338 122.7232 58.7992 31.5764 175.2713 7 P 4.4318 0.0000 0.0000 63.7812 29.9106 176.9231 8 K 4.2304 8.9796 126.6029 55.3728 34.8109 175.5514 9 A 3.8426 8.1163 121.0485 51.3656 17.4878 176.3059 10 V 4.1732 8.1455 114.0195 64.2248 33.4635 173.9245 11 P 4.1759 0.0000 0.0000 63.1361 31.9599 174.6015 12 C 3.8827 9.7505 112.9365 60.7562 24.8734 174.0270 13 K 4.1531 8.1615 118.0288 57.5143 36.6599 170.9219 14 I 3.1171 8.2522 131.7586 61.7900 36.4335 172.2816 15 I 4.4512 7.6274 119.0027 59.5886 41.1971 172.3451 16 Y 4.3890 8.2281 120.1917 57.1327 39.2289 176.7154 17 Q 4.0330 8.8065 114.6481 56.6706 27.6626 171.2624 18 G 3.5580 6.3579 106.6794 44.3524 0.0000 170.7814 19 Q 5.3227 7.9208 119.2136 53.8889 31.2055 174.7184 20 V 4.2349 8.0744 117.7538 62.1443 32.7601 175.3072 21 V 3.1660 8.3515 121.8072 62.4018 28.9194 170.4702 22 M 4.7466 7.3250 128.0428 55.0325 35.5063 176.2298 23 E 4.4354 8.0643 126.3710 55.3247 29.8210 174.0525 24 T 3.1916 7.8173 119.8847 64.4210 65.4847 170.5539 25 M 4.2203 7.4415 130.4409 54.4942 39.2657 175.3768 26 S 4.5567 8.2021 114.6745 59.4260 65.0685 174.5586 27 T 4.5109 7.4766 110.4847 58.3484 70.6295 173.5961 28 R 3.7893 8.8483 124.9528 56.1892 30.4324 174.7871 29 P 4.6459 0.0000 0.0000 61.6551 33.7375 176.0999 30 E 3.6972 8.8368 119.4568 57.0751 27.8758 176.6855 31 I 3.9209 7.9484 126.3879 58.8555 41.6801 174.1291 32 H 4.5978 8.4868 120.2655 55.7850 27.9573 175.1816 33 V 4.6180 7.0375 116.6926 61.1933 35.2514 173.6951 34 D 4.8648 7.7938 117.7411 53.7033 40.2224 175.0484 35 V 4.7464 6.9188 112.7518 59.7004 36.0964 175.7494 36 W 4.7612 8.8440 120.6470 57.1313 30.1821 177.0356 37 S 4.3727 7.7809 115.5568 59.8039 65.5207 173.8490 38 G 4.1722 7.6739 114.6551 46.7411 0.0000 171.6844 39 V 4.5139 7.8588 118.1470 61.2474 34.6678 174.3144 40 H 5.2052 8.4137 121.0889 53.7133 33.6037 172.2809 41 P 4.9826 0.0000 0.0000 63.1186 32.4894 173.9626 42 F 3.7559 8.7787 118.8795 56.4220 42.4601 171.6412 43 W 5.2304 8.6664 123.6847 57.9196 32.3714 172.0868 44 T 3.6161 9.9551 124.2958 64.5251 67.7870 171.3831 45 G 4.1759 7.9298 112.3635 45.8293 0.0000 171.7588 46 E 4.7572 9.2746 118.6309 56.5110 30.6355 177.2058 47 E 4.7181 9.1795 120.1101 55.3827 33.6514 172.7482 48 R 4.6180 8.1800 122.3130 54.4716 33.2373 174.1285 49 F 4.0022 8.7194 122.8076 60.2021 39.4219 173.6193 50 L 3.2122 8.0241 129.5927 55.2402 38.9262 172.3601 51 D 4.5525 7.5933 120.3604 53.1429 40.4758 176.1626 52 T 4.6706 7.9139 117.4598 64.2087 74.3865 173.4411 53 E 4.7683 8.1259 118.9422 58.6701 37.4300 175.4996 54 G 4.1546 7.9263 105.8035 44.6954 0.0000 173.0973 55 R 4.6486 8.4161 120.1471 56.7857 36.4506 177.6856 56 V 3.2730 7.5448 114.2530 63.4697 32.7016 174.9605 57 D 4.4554 7.9558 119.2324 54.6903 44.7660 173.8874 58 K 4.5745 8.2346 120.2905 58.6396 35.2399 176.4523 59 F 4.5349 8.1008 123.8188 57.9162 40.0516 176.0768 60 N 4.9302 7.2914 112.3869 50.6949 39.5072 173.5434 61 K 4.4844 7.3338 121.8248 57.8109 37.1171 175.5441 62 R 3.8030 7.4562 116.8200 59.2130 30.2259 176.6044 63 F 4.6254 7.1444 116.2774 57.6915 38.9380 177.4804 64 G 4.0851 7.5332 112.8091 44.1798 0.0000 174.5986 65 D 4.5637 7.7775 126.9932 52.6910 42.6395 176.2078 66 S 4.6773 8.1270 113.4467 60.2731 68.4901 175.2962 67 Y 4.3910 8.1008 119.8268 57.4680 35.1417 175.7097 68 R 4.4935 7.4690 120.0875 55.9539 32.6726 177.3067 69 R 4.6043 8.6270 114.0259 56.8204 33.8158 174.1062 70 G 3.3817 7.5374 106.0647 44.2683 0.0000 172.8041 71 S 4.5464 7.3279 119.1401 58.4758 65.5704 175.8119 72 K 4.3358 8.2132 115.6537 56.9659 33.7162 174.9752 73 K 4.0653 8.3631 126.4158 57.2442 32.0288 176.2997 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 8.30 4.37 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 2 Q 8.26 3.26 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 3 K 8.34 4.38 0.00 1.66 1.69 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.38 7.81 4 D 7.73 4.57 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.20 0.00 1.64 1.84 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 6 H 9.03 4.34 0.00 3.07 3.39 0.00 5.94 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 7 P 0.00 4.43 0.00 2.32 1.70 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.13 0.00 8 K 8.98 4.23 0.00 1.65 1.79 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.48 7.81 9 A 8.12 3.84 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.15 4.17 2.38 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 0.90 0.00 0.00 1.00 0.00 0.00 11 P 0.00 4.18 0.00 2.13 2.06 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 12 C 9.75 3.88 0.00 3.19 3.25 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 13 K 8.16 4.15 0.00 1.69 1.60 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.29 7.81 14 I 8.25 3.12 1.88 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 1.47 1.30 0.89 0.00 0.00 15 I 7.63 4.45 1.42 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.44 -0.54 0.00 0.00 16 Y 8.23 4.39 0.00 2.85 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.81 4.03 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.14 2.51 0.00 18 G 6.36 3.56 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 0.00 19 Q 7.92 5.32 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.54 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 20 V 8.07 4.23 2.20 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 0.86 0.00 0.00 1.03 0.00 0.00 21 V 8.35 3.17 2.09 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 0.83 0.00 0.00 0.94 0.00 0.00 22 M 7.32 4.75 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 23 E 8.06 4.44 0.00 1.85 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 2.16 2.25 0.00 24 T 7.82 3.19 4.23 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 1.20 0.00 0.00 25 M 7.44 4.22 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 26 S 8.20 4.56 0.00 4.00 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 27 T 7.48 4.51 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 1.21 0.00 0.00 28 R 8.85 3.79 0.00 1.79 1.95 0.00 3.24 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 29 P 0.00 4.65 0.00 2.35 2.03 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 30 E 8.84 3.70 0.00 1.86 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 2.12 1.70 0.00 31 I 7.95 3.92 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.68 0.87 0.00 0.00 32 H 8.49 4.60 0.00 3.41 3.51 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.04 4.62 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 1.20 0.00 0.00 34 D 7.79 4.86 0.00 2.79 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 35 V 6.92 4.75 2.23 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 1.04 0.00 0.00 0.99 0.00 0.00 36 W 8.84 4.76 0.00 3.25 3.22 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 37 S 7.78 4.37 0.00 3.88 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.67 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 39 V 7.86 4.51 2.09 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 0.89 0.00 0.00 0.93 0.00 0.00 40 H 8.41 5.21 0.00 3.03 3.02 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.98 0.00 2.20 1.84 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.25 0.00 42 F 8.78 3.76 0.00 2.69 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 43 W 8.67 5.23 0.00 3.45 2.96 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 0.00 0.00 0.00 44 T 9.96 3.62 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 45 G 7.93 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 46 E 9.27 4.76 0.00 1.93 1.58 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 2.23 2.24 0.00 47 E 9.18 4.72 0.00 1.86 1.77 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 2.19 2.27 0.00 48 R 8.18 4.62 0.00 1.82 1.77 0.00 3.54 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 49 F 8.72 4.00 0.00 3.02 3.06 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 0.00 0.00 0.00 50 L 8.02 3.21 0.00 0.65 1.43 0.65 1.14 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 51 D 7.59 4.55 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.91 4.67 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 1.18 0.00 0.00 53 E 8.13 4.77 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 54 G 7.93 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 0.00 0.00 0.00 55 R 8.42 4.65 0.00 1.79 1.94 0.00 3.43 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 56 V 7.54 3.27 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 0.83 0.00 0.00 1.06 0.00 0.00 57 D 7.96 4.46 0.00 2.72 2.49 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 58 K 8.23 4.57 0.00 1.72 1.65 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.38 7.81 59 F 8.10 4.53 0.00 2.84 2.98 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 60 N 7.29 4.93 0.00 2.69 2.70 0.00 0.00 6.96 7.61 0.00 0.00 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 K 7.33 4.48 0.00 1.69 1.69 0.00 1.81 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.29 7.81 62 R 7.46 3.80 0.00 1.28 1.69 0.00 3.36 0.00 0.00 3.24 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 63 F 7.14 4.63 0.00 2.91 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 64 G 7.53 4.09 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 0.00 0.00 0.00 65 D 7.78 4.56 0.00 2.70 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 66 S 8.13 4.68 0.00 3.74 3.89 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 67 Y 8.10 4.39 0.00 2.90 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 68 R 7.47 4.49 0.00 1.83 1.95 0.00 3.22 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 69 R 8.63 4.60 0.00 1.88 2.03 0.00 3.47 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 70 G 7.54 3.38 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 0.00 71 S 7.33 4.55 0.00 3.95 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 72 K 8.21 4.34 0.00 1.83 1.87 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.33 7.81 73 K 8.36 4.07 0.00 1.75 1.84 0.00 1.81 0.00 0.00 2.14 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.45 7.81