NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5738 8.3049 120.2754 55.2998 32.5188 174.4724 2 E 4.7172 8.5387 121.3076 54.2409 34.2230 172.7747 3 A 4.8281 8.8157 123.2654 50.5138 23.6104 174.8446 4 I 4.4993 8.3488 120.2792 59.4754 41.5309 174.8514 5 A 4.6504 8.0717 125.5125 49.8473 21.5235 175.2786 6 K 4.4560 8.2778 121.9959 55.8864 32.2658 174.9981 7 H 4.5307 8.3039 115.8346 54.5976 32.5079 173.8231 8 D 4.7412 9.0685 123.5705 55.1148 41.6527 175.2270 9 F 4.6721 8.4654 120.8890 58.0076 43.6914 173.7077 10 S 4.2049 6.5715 117.1323 57.5911 63.8470 173.0066 11 A 4.2575 7.1642 127.6826 49.7316 20.1897 176.7973 12 T 4.2930 8.8260 116.5060 63.1751 70.3811 174.7289 13 A 4.7578 7.2219 123.0430 49.7208 21.9526 176.7152 14 D 4.3651 8.7520 120.2322 57.4312 41.1188 177.4152 15 D 4.7131 7.9731 117.1901 53.5611 39.7403 175.1531 16 E 5.0705 7.7809 121.0597 55.3207 32.3486 174.3781 17 L 4.9767 9.4564 123.9990 53.3424 44.8336 176.2490 18 S 4.7731 8.8565 121.0522 58.1243 65.2318 172.3848 19 F 4.8482 8.1510 114.4950 56.9972 41.6057 172.5017 20 R 5.2631 8.5304 116.9173 53.7132 33.9141 175.9078 21 K 4.4561 8.7097 120.5029 58.8251 32.8730 177.6018 22 T 3.4730 8.4880 117.8315 63.6940 66.8826 172.0858 23 Q 4.2458 7.7548 120.9164 55.9154 30.2063 175.6643 24 I 4.2008 8.2925 123.4577 60.6378 37.7831 175.0098 25 L 4.6749 8.2073 127.6306 52.7519 44.6031 176.6893 26 K 4.3755 8.6261 123.1425 55.4357 32.3874 175.6180 27 I 4.3110 8.1707 126.3266 60.7791 38.0247 175.1741 28 L 4.7498 8.5642 125.8024 55.9042 44.3882 175.5529 29 N 4.8736 8.8505 119.4452 52.5310 41.7830 173.1823 30 M 4.9548 9.3295 123.5187 52.1533 34.2973 175.3976 31 E 5.9800 8.5410 134.0288 58.1335 28.6825 178.3820 32 D 4.6122 7.8045 115.7468 56.0664 41.1479 176.4916 33 D 4.7644 7.7204 118.0421 52.3194 41.5417 176.1940 34 S 4.5763 8.4611 117.0822 58.4506 62.8347 174.5824 35 N 4.7966 9.7463 120.2028 53.2267 43.3016 173.8359 36 W 5.0365 8.3403 117.6600 54.9986 31.9131 174.8549 37 Y 4.9373 8.4626 122.2980 56.9826 40.1640 175.4465 38 R 5.0032 9.5596 122.4882 55.3037 31.3896 175.6013 39 A 5.3657 8.9133 125.9976 50.3055 22.8082 174.4553 40 E 5.2450 9.2190 117.8970 54.9766 33.6522 176.0285 41 L 4.4786 8.7344 122.4816 55.1905 45.0225 172.9301 42 D 4.7524 8.7508 126.8852 54.5009 39.6518 174.6590 43 G 4.1939 7.6595 109.4074 44.8837 0.0000 172.2188 44 K 4.6660 8.3728 120.3791 54.2215 35.8729 174.4511 45 E 4.9418 8.6763 127.1902 55.1123 31.4823 175.2457 46 G 4.1700 8.5873 108.9229 45.2882 0.0000 173.0320 47 L 5.5360 8.9528 124.4733 54.6269 43.3737 176.3075 48 I 5.2639 8.4279 114.5068 58.4543 41.1785 172.1288 49 P 2.9700 0.0000 0.0000 63.2283 30.6690 176.1402 50 S 3.4613 7.5844 118.5485 60.8092 62.4348 175.6741 51 N 4.4397 7.5005 115.7737 55.4680 38.2991 175.0024 52 Y 4.6842 7.8415 115.1315 57.9954 38.5097 174.3321 53 I 4.7254 7.3946 112.2844 59.6185 41.4168 174.1157 54 E 4.8154 8.9991 120.7674 54.7292 34.3901 174.8584 55 M 4.4521 8.5679 122.4728 53.8464 32.5119 175.2764 56 K 3.7500 7.2265 125.5344 56.5220 34.2677 175.6611 57 N 4.3538 7.8886 120.9541 57.9994 40.5917 174.9910 58 H 4.0241 7.6892 115.9695 57.5383 29.1417 174.0100 59 D 4.4574 8.8922 116.7511 54.3413 40.7498 175.6243 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 4.57 0.00 1.89 2.19 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 2 E 8.54 4.72 0.00 1.98 1.76 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 2.27 2.44 0.00 3 A 8.82 4.83 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 4 I 8.35 4.50 1.85 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 1.13 1.78 0.97 0.00 0.00 5 A 8.07 4.65 0.71 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 0.00 0.00 6 K 8.28 4.46 0.00 1.55 1.75 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.70 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.40 7.81 7 H 8.30 4.53 0.00 3.01 2.04 0.00 5.71 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 9.07 4.74 0.00 2.60 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 9 F 8.47 4.67 0.00 2.96 1.66 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 10 S 6.57 4.20 0.00 3.66 3.61 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 0.00 0.00 0.00 0.00 11 A 7.16 4.26 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.83 4.29 4.21 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 1.03 0.00 0.00 13 A 7.22 4.76 1.12 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 0.00 0.00 0.00 14 D 8.75 4.37 0.00 2.64 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.97 4.71 0.00 2.82 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 16 E 7.78 5.07 0.00 1.91 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 0.00 2.42 2.47 0.00 17 L 9.46 4.98 0.00 1.78 1.70 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.86 4.77 0.00 4.06 3.79 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 0.00 0.00 0.00 19 F 8.15 4.85 0.00 3.16 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 20 R 8.53 5.26 0.00 1.92 1.94 0.00 3.23 0.00 0.00 3.49 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 21 K 8.71 4.46 0.00 1.93 2.09 0.00 1.68 0.00 0.00 1.93 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.44 7.81 22 T 8.49 3.47 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 1.22 0.00 0.00 23 Q 7.75 4.25 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.72 0.00 24 I 8.29 4.20 1.87 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 1.64 0.37 0.98 0.00 0.00 25 L 8.21 4.67 0.00 1.44 1.49 0.15 0.95 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 26 K 8.63 4.38 0.00 1.91 1.79 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.54 7.81 27 I 8.17 4.31 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.09 0.90 0.00 0.00 28 L 8.56 4.75 0.00 1.61 1.70 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.85 4.87 0.00 2.82 2.70 0.00 0.00 6.58 8.22 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 30 M 9.33 4.95 0.00 1.33 1.51 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.18 0.00 31 E 8.54 5.98 0.00 2.08 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 2.13 2.03 0.00 32 D 7.80 4.61 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.72 4.76 0.00 2.86 2.91 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 0.00 0.00 0.00 34 S 8.46 4.58 0.00 3.95 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 35 N 9.75 4.80 0.00 2.58 2.61 0.00 0.00 6.99 7.73 0.00 0.00 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 W 8.34 5.04 0.00 3.17 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.46 4.94 0.00 2.89 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 38 R 9.56 5.00 0.00 1.99 1.94 0.00 3.13 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 39 A 8.91 5.37 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 40 E 9.22 5.25 0.00 1.87 1.83 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 0.00 2.38 2.23 0.00 41 L 8.73 4.48 0.00 1.77 1.52 0.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.75 4.75 0.00 2.90 2.63 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 43 G 7.66 4.19 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 0.00 44 K 8.37 4.67 0.00 1.83 1.63 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.38 7.81 45 E 8.68 4.94 0.00 2.04 1.84 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 2.27 2.28 0.00 46 G 8.59 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 47 L 8.95 5.54 0.00 1.72 1.77 1.16 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.43 5.26 2.19 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.81 1.27 0.00 0.00 49 P 0.00 2.97 0.00 0.96 0.82 0.00 3.79 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 1.09 0.44 0.00 50 S 7.58 3.46 0.00 2.72 3.36 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 0.00 51 N 7.50 4.44 0.00 2.55 2.97 0.00 0.00 6.90 7.44 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 52 Y 7.84 4.68 0.00 3.07 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 53 I 7.39 4.73 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.81 0.75 0.00 0.00 54 E 9.00 4.82 0.00 1.86 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 55 M 8.57 4.45 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 56 K 7.23 3.75 0.00 1.94 2.05 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.21 1.10 7.81 57 N 7.89 4.35 0.00 2.71 2.88 0.00 0.00 7.54 7.78 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 58 H 7.69 4.02 0.00 3.28 2.53 0.00 5.97 0.00 0.00 0.00 0.00 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.89 4.46 0.00 2.73 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