NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4642 8.3049 120.3489 55.5139 33.4064 174.4988 2 Q 4.4306 8.3302 122.8589 53.4620 33.0177 172.4968 3 R 4.6408 8.3405 119.8099 55.0059 33.4211 174.8997 4 G 4.1944 7.8790 108.2032 45.6873 0.0000 171.5604 5 K 4.7324 8.7738 120.3753 54.0870 35.4626 176.2343 6 V 3.8811 8.5365 127.5607 63.5795 31.4883 175.3886 7 K 4.5640 9.2543 130.9168 58.7684 32.6890 176.6700 8 W 5.3646 7.7472 114.8601 55.6362 31.4450 172.9241 9 F 4.9960 8.9664 123.1136 57.0222 42.1862 172.6696 10 N 4.8467 8.3370 125.5851 51.9062 39.7615 175.2428 11 N 4.4442 8.9198 124.6218 55.9261 39.1468 176.6051 12 E 4.0973 8.1905 117.1627 58.8303 29.8588 178.0663 13 K 3.9231 8.3159 117.4578 56.8038 32.5671 177.6882 14 G 3.9230 9.1571 107.1122 45.7823 0.0000 172.0811 15 Y 4.6315 6.2607 116.0117 56.2542 41.5769 173.0815 16 G 3.3419 7.5457 104.0622 45.7553 0.0000 172.0857 17 F 5.0632 7.6352 117.5492 55.6612 43.5727 174.0493 18 I 4.9083 8.8837 123.6703 59.5720 39.3924 174.6829 19 E 4.7503 9.3087 125.8650 55.7245 31.6638 175.7794 20 V 4.7113 8.1234 114.6814 59.0711 35.8583 174.6864 21 E 4.0675 8.8541 125.4803 57.6370 29.6798 177.0742 22 G 3.9324 9.2284 114.1036 45.6190 0.0000 172.2090 23 G 4.2700 7.6639 106.6599 43.0452 0.0000 172.8447 24 S 4.2783 8.4336 115.0443 58.1867 63.3304 174.4839 25 D 4.8093 8.5760 123.2253 55.0967 41.7654 175.9870 26 V 4.5416 8.7852 121.0745 60.8019 33.9906 174.8148 27 F 3.8414 9.1094 130.7111 58.1487 40.3703 174.5430 28 V 4.1420 7.1753 124.0730 60.1570 34.3892 174.0486 29 H 4.8643 8.5026 125.1758 54.5776 31.3315 175.9506 30 F 4.3911 8.7041 119.2488 60.0008 37.8345 177.4473 31 T 3.7509 7.0088 109.5324 63.2554 68.6711 174.8091 32 A 4.2001 7.8099 124.3312 53.3673 19.0492 177.6465 33 I 3.8791 7.4807 117.8987 61.1007 37.6037 176.0661 34 Q 4.3003 8.4694 124.1056 55.1407 30.2173 175.5639 35 G 3.9251 8.5094 105.2523 44.7205 0.0000 172.6976 36 E 4.0797 8.2408 119.2640 55.6381 30.1301 176.5539 37 G 3.9522 8.2720 114.2697 44.1492 0.0000 172.6481 38 F 4.1367 8.5671 121.7610 57.5327 39.7001 174.4419 39 K 4.3618 7.8917 127.8356 55.4360 32.8977 175.7636 40 T 4.6966 8.0519 116.7027 60.9519 70.5180 172.2054 41 L 4.8561 8.1421 123.0579 52.8584 45.4357 176.0520 42 E 4.5640 8.4070 121.3221 54.2564 31.1991 175.3522 43 E 4.0407 8.5948 123.6349 58.0625 29.9832 177.2431 44 G 3.9630 8.8775 114.1381 45.1287 0.0000 173.3908 45 Q 4.0098 7.7673 121.4562 56.1833 29.5733 175.5308 46 E 4.3769 8.7010 124.9417 56.5130 30.7574 176.1667 47 V 5.1651 8.3688 115.9111 59.8140 36.1315 174.6432 48 S 5.0894 8.6566 117.2689 57.1367 65.9950 172.7025 49 F 5.4109 7.7766 114.1249 57.5583 40.3160 172.3827 50 E 4.7441 9.3156 118.9346 54.7253 32.7931 175.1110 51 I 5.1155 8.2457 121.3777 59.8925 39.5870 175.5311 52 V 4.6238 8.8829 118.6590 59.6838 36.3474 174.3429 53 Q 4.8389 8.7290 120.8090 54.5302 30.8203 176.0754 54 G 4.0449 8.8209 114.8467 43.8229 0.0000 173.2758 55 N 4.7137 8.5763 114.9098 53.5967 37.3548 175.4835 56 R 4.4710 7.9203 116.2695 56.3148 31.4223 174.2617 57 G 3.7703 7.8360 104.9599 43.1337 0.0000 171.7280 58 P 5.0787 0.0000 0.0000 63.2939 32.1579 175.5244 59 Q 4.6611 9.0031 118.3752 55.2309 32.4032 173.0138 60 A 5.0061 8.4326 121.3407 51.5775 19.7999 176.6573 61 A 4.6107 8.9385 121.8179 49.9637 22.9255 175.2525 62 N 4.0131 8.3972 115.1273 54.5974 37.1769 174.8562 63 V 4.4633 7.5920 117.3994 62.5948 32.7677 175.7872 64 V 4.4771 8.7815 128.8134 60.8469 34.2132 174.5777 65 K 4.6116 8.7020 127.4680 56.1786 32.7143 176.9480 66 L 4.3263 8.6198 124.8285 54.8767 41.3345 176.7900 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 4.46 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 Q 8.33 4.43 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 3 R 8.34 4.64 0.00 1.74 1.78 0.00 3.28 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 4 G 7.88 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 5 K 8.77 4.73 0.00 1.80 1.72 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.37 7.81 6 V 8.54 3.88 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 0.85 0.00 0.00 0.89 0.00 0.00 7 K 9.25 4.56 0.00 1.89 2.04 0.00 2.06 0.00 0.00 2.03 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.74 1.52 7.81 8 W 7.75 5.36 0.00 3.47 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 9 F 8.97 5.00 0.00 2.96 2.92 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 10 N 8.34 4.85 0.00 2.94 2.48 0.00 0.00 6.84 7.57 0.00 0.00 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 N 8.92 4.44 0.00 2.74 2.85 0.00 0.00 7.22 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 12 E 8.19 4.10 0.00 2.06 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 2.27 2.28 0.00 13 K 8.32 3.92 0.00 1.01 0.83 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.33 7.81 14 G 9.16 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 0.00 0.00 0.00 15 Y 6.26 4.63 0.00 2.32 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 16 G 7.55 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 5.06 0.00 2.57 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 18 I 8.88 4.91 1.88 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 1.25 0.75 0.92 0.00 0.00 19 E 9.31 4.75 0.00 2.04 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 0.00 2.55 2.32 0.00 20 V 8.12 4.71 2.10 0.00 0.00 0.00 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 1.02 0.00 0.00 21 E 8.85 4.07 0.00 1.94 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 2.30 2.32 0.00 22 G 9.23 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.66 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 0.00 0.00 0.00 0.00 24 S 8.43 4.28 0.00 3.91 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 25 D 8.58 4.81 0.00 2.56 2.81 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 26 V 8.79 4.54 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 0.96 0.00 0.00 0.99 0.00 0.00 27 F 9.11 3.84 0.00 2.75 2.76 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 28 V 7.18 4.14 1.91 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 0.58 0.00 0.00 0.85 0.00 0.00 29 H 8.50 4.86 0.00 3.29 3.14 0.00 5.68 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 8.70 4.39 0.00 3.38 3.63 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 31 T 7.01 3.75 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 32 A 7.81 4.20 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 33 I 7.48 3.88 1.97 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.59 0.84 0.00 0.00 34 Q 8.47 4.30 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 35 G 8.51 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.08 0.00 1.91 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 2.26 2.35 0.00 37 G 8.27 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 0.00 0.00 0.00 38 F 8.57 4.14 0.00 2.99 2.92 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 39 K 7.89 4.36 0.00 1.57 1.63 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.31 7.81 40 T 8.05 4.70 4.62 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 1.34 0.00 0.00 41 L 8.14 4.86 0.00 1.61 1.49 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.41 4.56 0.00 1.99 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 2.33 2.22 0.00 43 E 8.59 4.04 0.00 1.92 1.87 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 2.29 2.32 0.00 44 G 8.88 3.96 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 0.00 0.00 0.00 45 Q 7.77 4.01 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 46 E 8.70 4.38 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 47 V 8.37 5.17 2.18 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 0.76 0.00 0.00 1.00 0.00 0.00 48 S 8.66 5.09 0.00 3.85 3.96 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 49 F 7.78 5.41 0.00 3.15 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 50 E 9.32 4.74 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 51 I 8.25 5.12 1.92 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.75 0.97 0.00 0.00 52 V 8.88 4.62 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 0.78 0.00 0.00 1.00 0.00 0.00 53 Q 8.73 4.84 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 54 G 8.82 4.04 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 0.00 0.00 0.00 55 N 8.58 4.71 0.00 2.84 2.93 0.00 0.00 5.72 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 7.92 4.47 0.00 1.77 1.92 0.00 3.17 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 57 G 7.84 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 0.00 0.00 0.00 58 P 0.00 5.08 0.00 2.11 2.09 0.00 3.80 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 2.00 1.98 0.00 59 Q 9.00 4.66 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 60 A 8.43 5.01 1.02 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 0.00 0.00 0.00 0.00 0.00 61 A 8.94 4.61 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 62 N 8.40 4.01 0.00 2.97 2.84 0.00 0.00 6.61 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 63 V 7.59 4.46 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 0.92 0.00 0.00 64 V 8.78 4.48 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 0.94 0.00 0.00 0.96 0.00 0.00 65 K 8.70 4.61 0.00 1.70 1.76 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.48 7.81 66 L 8.62 4.33 0.00 1.55 1.59 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00