NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3909 8.3049 120.3480 54.6232 34.2699 175.8005 2 K 4.6894 7.8518 116.6169 53.7680 32.8701 172.4337 3 V 3.1541 7.8642 119.3684 63.1508 32.6001 170.8160 4 R 4.4109 8.4096 115.6672 57.6629 33.1776 175.2838 5 A 3.8641 8.4451 118.7666 52.9159 16.8002 178.9546 6 S 4.3430 8.8843 112.8606 57.3472 65.1067 173.9720 7 V 4.3872 8.4314 122.2124 61.2274 32.9102 177.6644 8 K 4.1494 8.3224 122.8987 56.9058 30.0187 177.4107 9 K 4.4887 8.8770 122.7562 57.3221 38.5673 176.2983 10 L 3.3685 8.7071 116.8722 56.3811 40.9120 173.5594 11 C 3.9731 8.3204 115.8273 60.6764 27.1917 172.0570 12 R 4.4238 8.1581 114.3232 58.7436 31.3345 178.0129 13 N 4.6714 8.0359 110.6023 53.9011 38.4128 175.1341 14 C 4.2848 7.3638 116.7001 59.4363 28.9892 173.8069 15 K 4.0276 8.4253 120.1672 56.6106 32.1648 178.0482 16 I 3.6958 8.3359 120.1730 61.9237 37.8999 177.2342 17 V 3.6442 7.5116 116.5822 62.1441 30.6406 171.8361 18 K 4.5698 8.4655 119.3363 54.9662 34.2972 176.0324 19 R 4.8029 7.4903 123.0988 56.5902 30.9985 176.6506 20 D 4.6823 8.3094 123.5405 54.6980 40.3930 176.6115 21 G 3.6194 7.8394 108.0493 45.8098 0.0000 171.9152 22 V 4.1980 7.3189 119.1260 61.1422 32.9659 175.0841 23 I 3.6999 8.0316 122.4506 58.9652 37.6551 177.3931 24 R 3.3463 8.2084 123.0324 56.0628 27.3451 176.4896 25 V 4.3289 8.0148 123.9191 61.6896 31.6842 174.2993 26 I 3.7642 7.9372 127.8737 61.0053 43.1065 174.0488 27 C 3.8497 8.2119 125.6653 59.5990 28.9343 172.8792 28 S 4.1832 7.9300 118.9229 58.3808 62.7880 172.7031 29 A 3.7778 8.5330 120.0565 53.5294 15.6294 178.7056 30 E 4.6512 7.5889 118.2272 55.4206 30.5898 175.7600 31 P 4.0569 0.0000 0.0000 64.3270 32.4022 176.3374 32 K 4.3213 7.7829 116.8015 58.0178 33.6499 175.9918 33 H 4.2069 7.9869 114.3654 56.6410 28.9334 176.1390 34 K 4.4027 8.1108 119.0704 56.6369 33.8893 172.7201 35 Q 4.3493 8.1992 124.5453 55.8278 29.4951 175.1477 36 R 4.4851 7.9565 119.7854 55.3663 31.7019 173.7472 37 Q 4.3562 8.6370 115.6958 57.4175 28.8427 176.7462 38 G 3.7224 8.3499 108.0362 46.2679 0.0000 172.7725 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 4.39 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 K 7.85 4.69 0.00 1.84 1.91 0.00 1.89 0.00 0.00 2.33 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.53 7.81 3 V 7.86 3.15 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 0.74 0.00 0.00 0.93 0.00 0.00 4 R 8.41 4.41 0.00 1.75 1.85 0.00 3.28 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 5 A 8.45 3.86 1.19 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 0.00 0.00 6 S 8.88 4.34 0.00 3.78 3.72 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 0.00 0.00 0.00 7 V 8.43 4.39 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 0.79 0.00 0.00 0.93 0.00 0.00 8 K 8.32 4.15 0.00 1.77 1.33 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.36 7.81 9 K 8.88 4.49 0.00 1.86 1.98 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.39 7.81 10 L 8.71 3.37 0.00 1.73 1.70 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.32 3.97 0.00 3.10 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 12 R 8.16 4.42 0.00 1.81 1.92 0.00 3.29 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 13 N 8.04 4.67 0.00 2.87 2.85 0.00 0.00 6.90 7.66 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 14 C 7.36 4.28 0.00 2.95 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 15 K 8.43 4.03 0.00 1.88 1.75 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.45 7.81 16 I 8.34 3.70 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 1.47 1.35 0.95 0.00 0.00 17 V 7.51 3.64 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 0.96 0.00 0.00 18 K 8.47 4.57 0.00 1.78 1.73 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.38 1.54 7.81 19 R 7.49 4.80 0.00 1.94 1.52 0.00 3.25 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.37 0.00 20 D 8.31 4.68 0.00 2.64 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 21 G 7.84 3.62 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 0.00 0.00 0.00 22 V 7.32 4.20 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 1.05 0.00 0.00 0.93 0.00 0.00 23 I 8.03 3.70 2.03 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 1.41 0.60 0.94 0.00 0.00 24 R 8.21 3.35 0.00 1.88 2.15 0.00 3.26 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 25 V 8.01 4.33 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 0.81 0.00 0.00 0.96 0.00 0.00 26 I 7.94 3.76 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.92 1.00 0.00 0.00 27 C 8.21 3.85 0.00 3.05 3.30 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 28 S 7.93 4.18 0.00 3.87 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 29 A 8.53 3.78 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 30 E 7.59 4.65 0.00 2.18 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 2.36 2.32 0.00 31 P 0.00 4.06 0.00 2.03 2.06 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 32 K 7.78 4.32 0.00 1.68 1.76 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.53 7.81 33 H 7.99 4.21 0.00 3.16 3.25 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.11 4.40 0.00 1.82 1.78 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.36 7.81 35 Q 8.20 4.35 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 36 R 7.96 4.49 0.00 1.98 2.02 0.00 3.03 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 37 Q 8.64 4.36 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 38 G 8.35 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00