NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6808 8.2893 120.6078 55.5638 33.5236 174.0835 2 L 4.5393 8.5129 125.9151 53.5385 44.7101 171.1541 3 E 4.8138 8.6511 119.3147 54.2941 32.4016 176.1044 4 G 4.6341 9.4338 112.7369 44.4497 0.0000 171.7212 5 K 5.1288 8.5835 118.2290 54.0818 36.0698 176.3247 6 V 3.7718 8.2515 124.8008 63.9357 31.2894 175.8014 7 K 4.2704 8.3762 128.1627 57.1152 33.1315 176.7231 8 W 4.3800 6.3485 113.9092 56.0089 29.5941 172.7702 9 F 4.9875 9.2068 121.9439 56.7217 41.8526 174.6349 10 N 5.3271 8.9787 123.5115 52.1450 39.6658 176.7015 11 S 4.7579 9.1961 115.2335 62.0437 63.2989 176.6678 12 E 4.0264 8.5035 118.9487 59.1162 29.1996 178.3196 13 K 4.3060 8.0842 114.4431 57.5515 32.1801 177.5739 14 G 4.4401 9.2614 107.9471 44.5831 0.0000 173.0761 15 F 4.9110 8.5140 113.9054 56.6251 41.5042 172.8147 16 G 3.1278 8.6824 106.2728 44.2592 0.0000 171.3617 17 F 4.8222 6.4744 119.4626 55.2115 41.9206 174.8534 18 I 4.6871 8.5721 123.6185 59.5721 40.3971 174.1543 19 E 5.0527 9.3687 125.3975 54.4157 32.9172 174.9296 20 V 4.8136 8.2737 124.4352 59.6118 35.1294 174.9562 21 E 4.2133 8.8441 123.2540 57.8907 29.8741 177.3371 22 G 4.0613 9.3171 111.4785 45.3875 0.0000 172.3346 23 Q 4.6213 7.6055 116.2803 54.6706 32.3858 172.6776 24 D 4.8800 8.1571 118.0559 53.2363 43.2274 174.7505 25 D 5.4132 8.4586 120.8890 53.4307 39.7683 176.4773 26 V 3.5401 8.1226 124.9158 62.4245 32.6780 174.8718 27 F 3.9971 8.3636 130.4208 58.2355 40.0831 174.5963 28 V 4.2569 8.2996 117.7755 59.8419 36.2499 173.8233 29 H 5.2457 8.2625 121.9537 53.7117 33.7048 173.7806 30 F 4.8338 8.5901 116.3655 57.5343 37.4251 176.0226 31 S 4.5064 7.7125 118.9665 59.9556 64.5586 175.5056 32 A 4.2633 7.7892 122.2624 54.6313 19.0825 178.8511 33 I 4.6921 7.5273 111.9977 62.0159 37.4349 176.8920 34 Q 4.2329 7.5077 121.5599 57.4114 29.9554 173.5468 35 G 3.9397 8.1219 104.5547 45.5503 0.0000 172.1438 36 E 3.7573 8.9703 119.3358 58.3507 29.5755 178.1285 37 G 4.0923 8.7898 108.8025 45.4169 0.0000 172.3852 38 F 4.3407 8.6117 122.8967 57.8187 39.7011 174.8825 39 K 4.0930 8.0718 126.4855 54.7249 34.7486 174.3141 40 T 4.3634 7.4167 113.5836 60.8266 70.5051 171.7920 41 L 4.5365 7.5794 122.0350 54.4884 43.1165 173.9184 42 E 4.7533 8.1632 117.8762 53.9282 32.8837 175.0319 43 E 4.2362 8.4731 120.1807 57.6748 30.0742 176.8522 44 G 3.9401 8.9024 112.7633 44.8473 0.0000 173.0119 45 Q 4.1892 7.7393 122.0649 55.8342 30.1941 174.5227 46 A 5.0298 8.6425 128.8425 51.1912 20.6118 176.2258 47 V 5.0846 9.0351 115.5114 59.4301 36.4308 174.5557 48 S 5.0951 9.1980 117.0684 56.7520 65.5780 173.4054 49 F 5.1492 7.7473 117.5439 56.2852 41.6512 172.4283 50 E 5.0196 8.9088 119.0728 54.0068 30.3770 174.8644 51 I 3.9999 8.7253 126.2151 61.6181 38.1874 175.5555 52 V 4.6341 8.6395 119.3910 59.5061 35.7565 173.6693 53 E 4.7886 8.8216 120.3056 55.1724 31.7708 175.9743 54 G 4.2345 8.5763 112.8964 43.0751 0.0000 172.7209 55 N 4.1392 8.9239 116.1173 56.7944 38.3150 176.7875 56 R 4.1222 7.8628 112.6216 56.5013 30.2302 176.0785 57 G 3.7979 8.5514 106.2840 43.0473 0.0000 171.1028 58 P 5.3516 0.0000 0.0000 63.1020 31.8942 175.9846 59 Q 4.5928 8.3079 119.1290 54.6630 33.2607 173.8140 60 A 4.4021 8.1422 123.9123 51.8975 19.0855 176.9461 61 A 4.3326 8.5334 119.0326 53.2522 22.0351 177.1290 62 N 5.0393 7.7958 109.8502 52.3971 39.1695 174.1646 63 V 4.2761 7.2778 118.7538 63.5868 33.2500 174.0102 64 T 5.2022 8.6884 118.2856 61.6197 73.2580 173.6934 65 K 4.2725 8.6559 124.4863 57.1852 33.3063 175.8950 66 E 4.1876 8.8493 125.4056 55.7657 30.2838 176.3678 67 A 4.2874 8.5207 128.7572 52.3355 19.2457 176.4246 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 4.68 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 2 L 8.51 4.54 0.00 1.52 1.61 0.03 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.65 4.81 0.00 1.84 1.73 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 2.25 2.19 0.00 4 G 9.43 4.63 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 0.00 0.00 0.00 5 K 8.58 5.13 0.00 1.72 1.69 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.38 7.81 6 V 8.25 3.77 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 0.90 0.00 0.00 1.15 0.00 0.00 7 K 8.38 4.27 0.00 1.65 1.64 0.00 2.24 0.00 0.00 1.90 0.00 0.00 3.36 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.65 7.81 8 W 6.35 4.38 0.00 3.56 3.19 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 9 F 9.21 4.99 0.00 3.10 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 10 N 8.98 5.33 0.00 2.67 2.42 0.00 0.00 5.84 6.59 0.00 0.00 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 9.20 4.76 0.00 4.08 4.26 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.03 0.00 2.07 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 0.00 2.38 2.34 0.00 13 K 8.08 4.31 0.00 2.01 2.40 0.00 1.71 0.00 0.00 1.91 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.64 7.81 14 G 9.26 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.51 4.91 0.00 3.50 3.19 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 16 G 8.68 3.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 6.47 4.82 0.00 1.51 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.69 1.79 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 1.19 0.69 1.09 0.00 0.00 19 E 9.37 5.05 0.00 1.96 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 2.22 2.26 0.00 20 V 8.27 4.81 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 0.93 0.00 0.00 0.99 0.00 0.00 21 E 8.84 4.21 0.00 1.99 1.94 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 2.33 2.33 0.00 22 G 9.32 4.06 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 0.00 0.00 0.00 23 Q 7.61 4.62 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 24 D 8.16 4.88 0.00 2.71 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 25 D 8.46 5.41 0.00 2.86 2.82 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 0.00 0.00 0.00 26 V 8.12 3.54 1.74 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 0.16 0.00 0.00 0.63 0.00 0.00 27 F 8.36 4.00 0.00 2.57 2.72 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 28 V 8.30 4.26 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 0.36 0.00 0.00 0.56 0.00 0.00 29 H 8.26 5.25 0.00 2.70 2.76 0.00 5.69 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.59 4.83 0.00 3.23 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 31 S 7.71 4.51 0.00 3.46 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 7.79 4.26 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 33 I 7.53 4.69 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.97 0.99 0.00 0.00 34 Q 7.51 4.23 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.82 0.00 35 G 8.12 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 0.00 0.00 0.00 36 E 8.97 3.76 0.00 1.97 1.96 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 2.33 2.34 0.00 37 G 8.79 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 38 F 8.61 4.34 0.00 2.96 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 39 K 8.07 4.09 0.00 1.71 1.47 0.00 1.68 0.00 0.00 1.45 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.23 7.81 40 T 7.42 4.36 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 1.00 0.00 0.00 41 L 7.58 4.54 0.00 1.42 1.61 -0.89 0.22 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 42 E 8.16 4.75 0.00 1.99 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 2.27 2.22 0.00 43 E 8.47 4.24 0.00 2.02 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 2.39 2.35 0.00 44 G 8.90 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 0.00 0.00 0.00 45 Q 7.74 4.19 0.00 2.37 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 46 A 8.64 5.03 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 47 V 9.04 5.08 2.35 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 1.02 0.00 0.00 1.19 0.00 0.00 48 S 9.20 5.10 0.00 3.71 3.86 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 0.00 0.00 0.00 49 F 7.75 5.15 0.00 3.12 3.24 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 0.00 50 E 8.91 5.02 0.00 2.01 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 2.20 2.38 0.00 51 I 8.73 4.00 2.03 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 1.26 0.83 0.97 0.00 0.00 52 V 8.64 4.63 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 0.76 0.00 0.00 0.99 0.00 0.00 53 E 8.82 4.79 0.00 1.80 1.85 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 2.19 2.28 0.00 54 G 8.58 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 0.00 0.00 0.00 0.00 55 N 8.92 4.14 0.00 2.72 2.93 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 56 R 7.86 4.12 0.00 1.79 1.90 0.00 3.16 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 57 G 8.55 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 5.35 0.00 2.08 2.08 0.00 3.39 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 59 Q 8.31 4.59 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.15 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 60 A 8.14 4.40 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.33 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 7.80 5.04 0.00 2.67 2.78 0.00 0.00 6.85 7.68 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 63 V 7.28 4.28 2.12 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 1.35 0.00 0.00 0.77 0.00 0.00 64 T 8.69 5.20 4.26 0.00 0.00 0.00 0.00 0.00 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 65 K 8.66 4.27 0.00 1.74 1.81 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.61 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.43 7.81 66 E 8.85 4.19 0.00 2.05 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 2.29 2.37 0.00 67 A 8.52 4.29 1.22 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 0.00 0.00