NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4602 8.3049 120.3265 54.8952 33.4370 175.0634 2 K 4.1089 8.4009 121.3263 55.6856 33.0026 175.0150 3 I 4.5677 7.7915 122.4277 59.2102 40.7895 175.7275 4 S 4.1295 8.9932 120.3116 61.0123 63.0281 174.6505 5 G 3.8276 8.1523 109.6090 45.8404 0.0000 173.2097 6 R 3.9784 8.6002 124.9230 58.1625 30.6936 176.3882 7 N 4.7507 8.1190 116.4022 51.8870 39.8606 174.5268 8 K 4.8692 8.6087 123.7073 54.4757 34.7953 175.7092 9 L 4.4798 8.7638 125.9878 52.6521 44.2183 175.9433 10 E 4.7246 9.0999 124.5357 56.2300 29.9104 175.8823 11 A 5.1018 9.2611 126.2994 50.4149 23.7112 174.1040 12 T 5.0083 8.5248 114.5499 61.6305 72.0265 174.4743 13 V 4.0356 8.8280 127.0401 63.3192 32.0678 176.2524 14 K 4.4063 9.3372 127.5310 57.7708 33.9854 176.3934 15 E 4.7928 7.8033 118.3626 54.8886 33.3475 173.9187 16 I 5.0917 8.2866 124.9829 59.5174 40.9124 174.7266 17 V 4.3347 8.7242 126.6151 61.0717 33.9729 174.1301 18 K 4.6278 8.8130 127.8641 55.2843 33.3513 176.7793 19 G 4.2316 8.6507 116.0612 44.4739 0.0000 172.9505 20 T 4.0968 8.4666 114.7764 65.7333 69.0795 175.3773 21 V 4.2641 7.8830 118.7679 64.0203 34.5386 175.5116 22 M 5.1761 7.9937 118.0333 53.6528 35.3219 174.7867 23 A 5.1089 9.0825 121.4167 50.1825 23.1570 174.9561 24 K 4.7365 9.0887 123.5748 55.2920 34.1411 175.3138 25 I 4.7700 8.9248 129.2346 59.7481 39.2726 174.6436 26 V 4.6096 8.8084 128.8639 61.9616 33.0063 174.8201 27 M 5.3697 9.1680 126.5488 53.6116 36.9921 173.4793 28 D 5.2981 9.0980 120.1797 52.7439 44.1447 174.1481 29 Y 4.7864 9.1699 127.4504 55.3109 40.9750 175.5395 30 K 3.6499 9.2882 129.2421 57.1754 29.7995 176.3173 31 G 3.9579 8.4038 106.6527 45.2823 0.0000 173.9081 32 T 4.5175 7.9996 117.5966 61.7423 70.0930 173.2985 33 E 4.7772 8.6690 127.2487 55.9269 30.5569 175.4690 34 L 4.9361 9.0913 126.4830 52.9713 45.4215 175.6291 35 V 4.8325 8.3040 120.3567 61.2561 34.2987 174.2699 36 A 4.8653 9.0774 129.2341 49.9644 22.2483 174.6775 37 A 5.2071 8.6739 123.0551 50.3364 20.9625 175.3565 38 I 4.7745 8.3790 115.1639 59.4683 42.0264 175.1642 39 T 4.5764 8.2940 111.6934 60.9675 69.7113 175.8013 40 I 3.7684 8.5545 117.7674 64.1612 37.3175 178.1726 41 D 4.3760 8.1493 120.4813 57.6318 40.5892 178.8253 42 S 4.1314 7.9250 115.1051 61.3480 62.7842 176.8238 43 V 3.5712 7.6982 120.4066 65.8663 31.4427 177.8784 44 A 3.9415 7.9947 120.4587 55.1496 18.0710 178.9986 45 D 4.2599 8.1110 115.9707 57.5208 41.2761 177.5010 46 L 4.1441 8.2025 116.1598 54.7399 42.1971 175.9720 47 D 4.3775 7.5961 117.1185 54.9917 39.9750 173.7448 48 L 4.4622 7.7985 117.6477 54.8677 42.7726 177.6295 49 V 4.5316 8.8857 115.0174 58.9846 35.9326 172.5096 50 P 4.5640 0.0000 0.0000 64.4427 31.5200 176.5197 51 G 4.1022 9.0579 111.5737 45.4209 0.0000 173.9643 52 D 4.4916 8.0406 120.1610 54.6207 42.0343 175.7861 53 K 4.7973 8.5629 122.2097 55.6593 33.2684 176.2916 54 V 4.6278 8.9357 117.6587 60.0788 36.9713 174.2443 55 T 5.0320 8.3543 117.2622 61.7904 70.6466 174.2269 56 A 4.2876 9.0448 129.8198 51.4815 19.8760 175.7239 57 L 5.1719 8.4661 123.7585 53.1677 45.0644 175.7176 58 V 4.4641 8.6749 125.4191 60.6695 35.0396 174.6769 59 K 4.2739 8.6866 128.5219 55.9323 32.9989 177.3012 60 A 3.9708 8.7594 128.8791 55.6032 18.4094 179.2976 61 T 4.1510 7.8713 103.2071 63.3282 69.0184 174.6021 62 E 4.5706 8.1792 121.6986 56.1461 29.9898 174.9062 63 M 4.5369 7.6700 119.2631 53.7446 33.6552 175.4723 64 E 4.4325 8.5549 125.6146 55.3909 31.1120 175.7078 65 V 4.4298 8.0462 119.0605 61.0385 34.0836 174.6407 66 L 4.8591 8.1578 125.8438 53.1658 44.6707 176.3365 67 K 4.0548 8.3348 121.2749 57.1368 31.9355 175.1776 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 2.02 2.07 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 2.50 2.57 0.00 2 K 8.40 4.11 0.00 1.83 1.73 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.52 7.81 3 I 7.79 4.57 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 0.76 0.94 0.00 0.00 4 S 8.99 4.13 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.60 3.98 0.00 1.80 1.99 0.00 3.36 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 7 N 8.12 4.75 0.00 2.78 2.69 0.00 0.00 6.65 8.12 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 8 K 8.61 4.87 0.00 1.56 1.69 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.47 7.81 9 L 8.76 4.48 0.00 1.43 1.28 0.70 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 10 E 9.10 4.72 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 11 A 9.26 5.10 1.34 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 12 T 8.52 5.01 4.25 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 1.26 0.00 0.00 13 V 8.83 4.04 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 0.88 0.00 0.00 0.99 0.00 0.00 14 K 9.34 4.41 0.00 1.63 1.82 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.37 7.81 15 E 7.80 4.79 0.00 2.00 1.72 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 2.28 2.34 0.00 16 I 8.29 5.09 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 1.23 0.79 0.91 0.00 0.00 17 V 8.72 4.33 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 1.06 0.00 0.00 0.93 0.00 0.00 18 K 8.81 4.63 0.00 1.67 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.43 7.81 19 G 8.65 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 20 T 8.47 4.10 4.24 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 1.21 0.00 0.00 21 V 7.88 4.26 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 1.11 0.00 0.00 0.93 0.00 0.00 22 M 7.99 5.18 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 23 A 9.08 5.11 1.17 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 24 K 9.09 4.74 0.00 1.82 1.69 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.41 7.81 25 I 8.92 4.77 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 1.11 0.80 0.92 0.00 0.00 26 V 8.81 4.61 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 0.96 0.00 0.00 0.99 0.00 0.00 27 M 9.17 5.37 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 28 D 9.10 5.30 0.00 2.68 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.17 4.79 0.00 3.05 2.83 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 0.00 0.00 0.00 30 K 9.29 3.65 0.00 1.18 1.50 0.00 1.37 0.00 0.00 1.48 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.95 0.21 7.81 31 G 8.40 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 32 T 8.00 4.52 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 33 E 8.67 4.78 0.00 2.00 1.86 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 2.30 2.50 0.00 34 L 9.09 4.94 0.00 1.60 1.52 0.92 0.49 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 35 V 8.30 4.83 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 0.94 0.00 0.00 36 A 9.08 4.87 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 37 A 8.67 5.21 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 38 I 8.38 4.77 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 1.28 0.94 0.91 0.00 0.00 39 T 8.29 4.58 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 40 I 8.55 3.77 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 1.71 0.63 0.97 0.00 0.00 41 D 8.15 4.38 0.00 2.78 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 42 S 7.92 4.13 0.00 4.09 3.91 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 43 V 7.70 3.57 2.25 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 1.05 0.00 0.00 0.98 0.00 0.00 44 A 7.99 3.94 1.36 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 0.00 0.00 45 D 8.11 4.26 0.00 2.72 2.71 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 46 L 8.20 4.14 0.00 1.81 1.70 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.60 4.38 0.00 2.79 2.68 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 0.00 0.00 0.00 0.00 48 L 7.80 4.46 0.00 1.70 1.59 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.89 4.53 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 0.67 0.00 0.00 1.01 0.00 0.00 50 P 0.00 4.56 0.00 2.04 2.21 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 51 G 9.06 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.04 4.49 0.00 2.74 2.61 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 53 K 8.56 4.80 0.00 1.64 1.76 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.41 7.81 54 V 8.94 4.63 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 1.01 0.00 0.00 55 T 8.35 5.03 4.24 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 1.21 0.00 0.00 56 A 9.04 4.29 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 57 L 8.47 5.17 0.00 1.58 1.50 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.67 4.46 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 0.86 0.00 0.00 0.89 0.00 0.00 59 K 8.69 4.27 0.00 1.82 1.65 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.43 7.81 60 A 8.76 3.97 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 61 T 7.87 4.15 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 1.20 0.00 0.00 62 E 8.18 4.57 0.00 2.02 1.95 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 2.23 2.19 0.00 63 M 7.67 4.54 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 64 E 8.55 4.43 0.00 1.99 1.86 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 2.27 2.28 0.00 65 V 8.05 4.43 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 0.84 0.00 0.00 0.92 0.00 0.00 66 L 8.16 4.86 0.00 1.63 1.52 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.33 4.05 0.00 1.67 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.41 7.81