NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.5710 8.3644 120.5300 54.3110 41.8194 175.6763 8 K 4.3574 8.5556 128.8594 55.4001 33.6033 173.9198 9 R 4.7093 9.0798 123.8174 54.7143 34.1461 174.4503 10 T 4.7180 8.2043 116.4763 62.0009 72.5207 173.6422 11 C 4.8652 8.5734 119.7482 55.5567 41.8010 174.3052 12 V 3.9485 8.3608 123.1460 63.3728 32.5274 175.5846 13 S 4.7482 7.7232 113.2541 56.7757 66.8061 172.8059 14 L 4.8934 8.2012 122.3467 52.7686 43.7365 176.7287 15 T 4.0990 9.0635 118.9949 62.8602 67.7430 173.5697 16 T 4.5522 8.3851 113.3727 61.5044 70.5380 174.3252 17 Q 4.3504 7.7115 120.8967 54.5522 30.3980 175.2656 18 R 2.5184 7.5552 118.3854 54.4566 31.4572 175.9460 19 L 4.6027 7.1109 119.5847 52.3249 43.8795 174.8309 20 P 4.4315 0.0000 0.0000 61.7964 32.1912 177.8886 21 V 3.7218 8.5301 122.9377 64.4998 31.2402 176.9745 22 S 4.5621 7.4316 113.2633 58.3234 63.0629 175.4091 23 R 4.4841 8.1856 115.7579 57.7772 34.5600 174.6101 24 I 4.6871 7.4307 119.9594 59.5866 36.7806 175.4299 25 K 4.0648 8.7395 128.6441 59.6472 31.9536 176.0908 26 T 5.1364 7.3530 115.3056 63.4193 72.6094 171.5571 27 Y 4.8156 7.9033 117.6639 57.7664 40.5982 173.4923 28 T 3.5981 7.5790 110.6565 61.3324 71.5388 171.6619 29 I 4.6603 8.3926 129.1184 60.4804 39.7003 174.7920 30 T 4.6595 8.8220 124.1832 61.9919 72.2622 173.0004 31 E 4.6925 10.3225 124.9841 55.6600 32.7547 175.3212 32 G 4.0266 8.9477 115.0551 45.2927 0.0000 174.5417 33 S 4.0749 8.3997 118.5330 58.8950 64.1417 173.4525 34 L 4.5190 7.3861 129.0370 52.7935 43.5394 176.4999 35 R 4.2334 8.5892 127.0251 57.0919 30.5755 175.2138 36 A 4.6790 9.1723 127.0834 50.9110 23.8187 174.1294 37 V 4.2804 8.3454 117.9688 61.3839 33.1798 174.8192 38 I 4.4831 8.3712 128.7938 59.0846 38.1138 173.2544 39 F 4.7725 8.5431 125.0714 57.4247 40.1451 174.0315 40 I 4.9359 8.4294 124.2921 60.1062 39.1867 175.3966 41 T 4.6616 9.1811 117.1372 60.3369 70.4912 176.1724 42 K 3.9353 8.6779 122.4564 58.9518 32.1537 177.9680 43 R 4.3590 7.9879 116.7523 55.1935 31.4430 175.1467 44 G 3.8346 9.6786 106.3751 45.3092 0.0000 176.1276 45 L 3.3653 7.6417 117.6536 50.6344 43.8273 173.8035 46 K 5.1970 8.3745 123.9046 54.8910 34.8934 175.8872 47 V 4.4905 9.0552 122.6012 61.5267 34.9996 173.5442 48 C 5.1249 9.0008 125.4701 56.6330 41.3554 172.5771 49 A 5.1853 9.0238 124.8086 49.9544 22.7925 174.1702 50 D 4.8690 8.4834 118.2007 52.9009 42.1764 175.8146 51 P 4.2341 0.0000 0.0000 65.2148 31.6708 177.7973 52 Q 3.9998 8.1558 115.4418 58.0807 28.9177 176.5220 53 A 4.0625 7.4749 122.8307 52.4516 18.5646 177.6266 54 T 3.9663 9.0461 121.0603 66.8206 68.4465 176.3841 55 W 4.4894 8.4316 117.7281 59.7534 27.9014 177.6856 56 V 2.6330 6.2935 118.6602 65.9189 30.9014 178.0065 57 R 3.7937 7.3564 117.6548 59.5568 29.7940 178.6166 58 D 4.3281 7.8832 117.6509 57.1862 40.9679 178.4174 59 V 3.5910 7.6213 118.2726 65.4439 31.6741 178.0717 60 V 3.4159 7.5208 117.7233 66.0019 31.4916 177.9307 61 R 4.0358 8.0039 116.8510 58.6280 30.0625 178.5681 62 S 4.5012 7.7020 109.3777 59.1160 62.9841 174.5525 63 M 4.5133 8.0861 120.3823 56.1417 32.9140 176.4027 64 D 5.2222 7.6388 118.8592 55.3692 41.0579 177.7571 65 R 4.3029 7.8636 117.1575 57.1388 30.2737 176.6597 66 K 4.6750 7.1547 116.4615 55.3644 33.5685 176.3271 67 S 4.2647 8.1066 120.6904 59.0949 63.0056 174.8964 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 7 D 8.36 4.57 0.00 2.68 2.28 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.36 0.00 1.78 1.68 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.51 7.81 9 R 9.08 4.71 0.00 1.78 1.77 0.00 3.20 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 10 T 8.20 4.72 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 1.20 0.00 0.00 11 C 8.57 4.87 0.00 2.93 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 12 V 8.36 3.95 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 0.83 0.00 0.00 0.94 0.00 0.00 13 S 7.72 4.75 0.00 3.85 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 14 L 8.20 4.89 0.00 1.66 1.63 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 T 9.06 4.10 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 16 T 8.39 4.55 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 1.25 0.00 0.00 17 Q 7.71 4.35 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 18 R 7.56 2.52 0.00 1.12 0.66 0.00 2.77 0.00 0.00 2.76 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.77 0.00 19 L 7.11 4.60 0.00 1.71 1.54 1.15 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.43 0.00 2.14 1.92 0.00 3.57 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 21 V 8.53 3.72 2.06 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 0.80 0.00 0.00 0.90 0.00 0.00 22 S 7.43 4.56 0.00 4.05 3.98 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 23 R 8.19 4.48 0.00 2.06 1.92 0.00 3.08 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 24 I 7.43 4.69 1.87 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.66 1.23 0.00 0.00 25 K 8.74 4.06 0.00 1.84 1.90 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.47 7.81 26 T 7.35 5.14 4.29 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 1.22 0.00 0.00 27 Y 7.90 4.82 0.00 3.00 3.01 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 0.00 0.00 0.00 28 T 7.58 3.60 4.02 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 1.17 0.00 0.00 29 I 8.39 4.66 1.92 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 1.31 1.14 0.89 0.00 0.00 30 T 8.82 4.66 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 1.18 0.00 0.00 31 E 10.32 4.69 0.00 1.80 1.82 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 2.19 2.25 0.00 32 G 8.95 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.40 4.07 0.00 3.87 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 34 L 7.39 4.52 0.00 1.53 1.54 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.59 4.23 0.00 1.84 1.82 0.00 3.37 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 36 A 9.17 4.68 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.35 4.28 1.59 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 0.07 0.00 0.00 0.75 0.00 0.00 38 I 8.37 4.48 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.74 0.90 0.00 0.00 39 F 8.54 4.77 0.00 3.12 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 40 I 8.43 4.94 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.05 1.04 0.00 0.00 41 T 9.18 4.66 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 42 K 8.68 3.94 0.00 1.80 1.95 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.48 7.81 43 R 7.99 4.36 0.00 1.77 1.94 0.00 3.23 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 44 G 9.68 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 45 L 7.64 3.37 0.00 1.77 1.77 0.94 0.59 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 46 K 8.37 5.20 0.00 1.69 1.73 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.43 7.81 47 V 9.06 4.49 2.34 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 1.18 0.00 0.00 1.04 0.00 0.00 48 C 9.00 5.12 0.00 3.09 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 49 A 9.02 5.19 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 50 D 8.48 4.87 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.03 2.03 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 52 Q 8.16 4.00 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.82 2.31 0.00 53 A 7.47 4.06 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 54 T 9.05 3.97 4.34 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 1.26 0.00 0.00 55 W 8.43 4.49 0.00 3.60 3.31 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 56 V 6.29 2.63 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 1.02 0.00 0.00 -0.17 0.00 0.00 57 R 7.36 3.79 0.00 1.98 1.93 0.00 3.14 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 58 D 7.88 4.33 0.00 2.68 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 59 V 7.62 3.59 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 0.61 0.00 0.00 1.06 0.00 0.00 60 V 7.52 3.42 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 0.59 0.00 0.00 0.79 0.00 0.00 61 R 8.00 4.04 0.00 1.91 1.95 0.00 3.15 0.00 0.00 3.30 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 62 S 7.70 4.50 0.00 3.94 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 0.00 63 M 8.09 4.51 0.00 2.12 2.22 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 2.52 2.60 0.00 64 D 7.64 5.22 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.86 4.30 0.00 1.78 1.98 0.00 3.31 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.66 0.00 66 K 7.15 4.68 0.00 1.76 1.77 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.34 7.81 67 S 8.11 4.26 0.00 4.03 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