NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6377 8.4444 117.8427 56.1855 30.5517 173.7348 2 M 4.2005 8.3354 127.1157 52.7299 31.5424 174.4455 3 G 4.8355 7.2736 110.0856 46.1861 0.0000 172.6840 4 H 4.7999 7.8565 115.9506 54.8824 30.6063 171.9198 5 I 4.5464 6.9730 119.7571 59.4546 41.3816 175.0079 6 Q 4.6668 8.2894 124.1429 54.4869 30.3930 175.3648 7 I 4.5116 7.1870 108.7648 59.7826 38.8759 172.5418 8 P 4.3691 0.0000 0.0000 62.4658 32.4600 176.3779 9 P 4.4946 0.0000 0.0000 61.6491 33.0317 173.9512 10 G 4.1962 9.0235 104.7213 46.8513 0.0000 175.7392 11 L 4.0833 7.9335 120.0440 57.9652 41.9577 178.4506 12 T 4.0124 7.9076 116.0917 66.5261 68.5598 176.0537 13 E 3.9998 8.1830 120.0037 59.4566 29.4526 179.4392 14 L 4.0556 7.8032 120.4435 58.1820 42.0797 178.8586 15 L 4.1992 7.8309 117.5433 58.0201 41.9472 178.7958 16 Q 4.5706 7.8519 120.9568 58.5298 28.8475 178.7807 17 G 3.7111 8.0069 106.0271 48.2716 0.0000 174.7470 18 Y 4.0791 7.9265 122.2548 60.8594 38.2050 178.5816 19 T 3.7275 7.9681 116.5315 66.1913 68.3743 176.5361 20 V 3.7713 7.8401 119.8612 64.7858 31.5050 178.0506 21 E 3.8700 7.6874 118.1570 59.3310 29.6962 178.8706 22 V 2.7248 7.3483 118.1040 65.6779 31.1618 177.9199 23 L 3.9589 7.1017 116.6806 56.9783 41.5573 179.1534 24 R 3.9435 7.2679 118.0322 59.6435 30.2582 178.2300 25 Q 3.9955 8.0000 116.4970 56.2837 30.1741 176.2215 26 Q 3.2942 7.4680 117.3889 56.1884 26.3432 171.4553 27 P 4.4558 0.0000 0.0000 61.5665 32.8624 175.7787 28 P 4.2870 0.0000 0.0000 65.0502 31.6651 176.3454 29 D 4.9023 7.8424 119.6159 51.7409 42.8915 176.5023 30 L 4.1754 8.5888 126.5301 57.7381 42.0667 178.5222 31 V 3.7764 8.0124 118.1077 66.3140 31.3562 177.4011 32 D 4.3692 8.1279 116.7883 57.4432 41.2825 177.6237 33 F 4.1084 8.2790 120.6707 61.1975 38.8429 176.8896 34 A 4.1007 9.1000 121.1071 55.4107 18.1806 179.9040 35 V 3.6663 7.6912 116.6615 65.8287 31.2591 178.2485 36 E 3.9100 7.7480 117.9666 60.0531 29.7110 177.8863 37 Y 4.0793 7.7232 119.7573 60.0464 38.5427 177.6571 38 F 3.7202 7.4487 117.3501 61.1828 39.0984 177.8639 39 T 3.8302 7.6303 114.9672 67.0841 68.2124 176.4866 40 R 3.8934 7.9333 119.9812 58.9429 30.0278 178.1132 41 L 3.8479 7.8757 120.7042 58.1015 41.7321 179.0391 42 R 4.0253 7.5848 116.5706 58.0399 29.9124 177.1301 43 E 4.5366 7.9013 116.8366 55.9582 29.8287 176.7735 44 A 4.1662 7.9667 124.6001 54.9464 18.5306 177.8705 45 R 4.5029 7.2902 117.1682 57.1606 37.7400 174.2885 46 R 4.1189 7.8836 122.1913 56.4465 30.1119 176.1077 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 H 8.44 4.64 0.00 3.17 3.40 0.00 5.85 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 M 8.34 4.20 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 3 G 7.27 4.84 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 0.00 0.00 0.00 4 H 7.86 4.80 0.00 3.10 3.14 0.00 5.67 0.00 0.00 0.00 0.00 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 6.97 4.55 1.89 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 1.31 0.96 0.92 0.00 0.00 6 Q 8.29 4.67 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.09 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 7 I 7.19 4.51 1.88 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 1.48 0.34 0.92 0.00 0.00 8 P 0.00 4.37 0.00 2.20 2.10 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 9 P 0.00 4.49 0.00 2.21 2.16 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 1.99 1.97 0.00 10 G 9.02 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.93 4.08 0.00 1.74 1.70 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.91 4.01 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 1.24 0.00 0.00 13 E 8.18 4.00 0.00 2.05 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 2.44 2.41 0.00 14 L 7.80 4.06 0.00 2.01 1.80 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.83 4.20 0.00 2.03 1.84 1.10 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.85 4.57 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 17 G 8.01 3.71 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 0.00 18 Y 7.93 4.08 0.00 3.06 3.29 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 19 T 7.97 3.73 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 1.18 0.00 0.00 20 V 7.84 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 1.00 0.00 0.00 0.95 0.00 0.00 21 E 7.69 3.87 0.00 2.09 2.02 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 2.25 2.06 0.00 22 V 7.35 2.72 1.62 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 0.60 0.00 0.00 -0.15 0.00 0.00 23 L 7.10 3.96 0.00 1.78 1.61 0.83 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.27 3.94 0.00 1.80 2.01 0.00 3.22 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 25 Q 8.00 4.00 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.40 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 26 Q 7.47 3.29 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 27 P 0.00 4.46 0.00 2.12 1.95 0.00 3.39 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.68 0.00 28 P 0.00 4.29 0.00 2.20 2.21 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 29 D 7.84 4.90 0.00 2.82 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 30 L 8.59 4.18 0.00 1.78 1.75 0.86 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.01 3.78 2.15 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 1.03 0.00 0.00 1.00 0.00 0.00 32 D 8.13 4.37 0.00 2.83 2.75 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 0.00 0.00 0.00 33 F 8.28 4.11 0.00 3.32 3.35 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 34 A 9.10 4.10 1.63 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 35 V 7.69 3.67 2.27 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 1.04 0.00 0.00 1.00 0.00 0.00 36 E 7.75 3.91 0.00 1.96 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 2.34 2.33 0.00 37 Y 7.72 4.08 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 3.72 0.00 3.16 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 39 T 7.63 3.83 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 40 R 7.93 3.89 0.00 2.06 1.94 0.00 3.11 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 41 L 7.88 3.85 0.00 1.60 1.55 0.27 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.58 4.03 0.00 1.91 1.96 0.00 3.31 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 43 E 7.90 4.54 0.00 2.04 1.93 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 2.23 2.35 0.00 44 A 7.97 4.17 1.30 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 0.00 0.00 45 R 7.29 4.50 0.00 1.70 1.82 0.00 3.28 0.00 0.00 3.15 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 46 R 7.88 4.12 0.00 1.80 1.77 0.00 3.31 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00