NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6249 8.2233 120.1916 53.9441 42.8109 176.3822 6 D 4.2374 8.6654 126.2774 57.0725 40.7685 177.1641 7 D 4.4639 9.0707 120.7213 57.6466 41.1255 178.4173 8 D 4.3652 8.1508 119.1505 56.9508 40.7198 178.8585 9 K 3.9212 8.0247 118.7194 59.2801 32.0670 178.9152 10 K 4.0149 7.9410 119.2440 60.0450 32.1095 178.6581 11 T 3.7687 8.1716 116.2730 67.0228 68.3695 176.2853 12 N 4.2583 8.5236 118.4759 55.7510 38.5126 177.5661 13 W 4.1609 8.2314 120.5108 59.8249 29.1735 178.4603 14 L 3.6539 8.1868 119.0803 57.6105 41.1305 179.7478 15 K 3.8363 8.2125 118.6753 59.3296 31.9588 179.3565 16 R 3.8121 7.9975 118.8134 59.4974 30.2101 178.3155 17 I 3.6688 8.3079 119.9394 64.8760 36.8719 177.7848 18 Y 4.0516 7.8013 118.7495 60.4242 38.6134 177.6952 19 R 3.9447 7.5934 118.6595 59.2576 30.4293 178.3226 20 V 4.1733 7.7590 109.5081 61.3443 32.1670 176.3421 21 R 4.3810 7.1714 116.8587 53.4045 30.3113 173.8400 22 P 4.4163 0.0000 0.0000 61.4258 32.8185 175.5067 23 C 3.7658 8.7562 117.6117 59.3101 31.6184 175.4266 24 V 3.6712 8.6776 121.1260 63.7419 31.5448 177.5169 25 K 3.7115 7.9397 120.1305 58.3314 32.4989 177.0803 26 C 4.2479 7.8520 111.5048 57.5727 30.3819 174.5345 27 K 3.9832 8.0977 117.9976 57.1261 30.2128 174.9557 28 V 4.1167 7.4496 115.5035 64.2319 33.4985 175.9455 29 A 4.1228 7.7389 122.6421 51.5026 18.8005 175.2251 30 P 4.6316 0.0000 0.0000 61.9835 32.5105 176.2742 31 R 4.3449 7.7442 117.6370 55.5978 31.0919 176.1824 32 D 5.0136 8.8233 120.5948 54.7715 42.6439 174.6322 33 W 5.3051 8.2356 117.6009 56.2288 30.7233 173.1533 34 K 4.4256 8.8170 118.6814 55.6728 35.9171 174.8168 35 V 4.4747 8.3627 121.4518 62.0512 32.7941 176.0295 36 K 4.4887 9.0682 129.2569 54.8068 33.8694 178.1906 37 N 4.3310 9.2036 124.5564 53.2216 37.2624 175.7315 38 K 4.7777 7.4320 113.6677 55.9993 34.6938 175.8548 39 H 5.3726 8.5548 117.8707 53.9678 32.2159 172.9612 40 L 5.0257 9.1797 123.9636 53.6205 44.0243 175.1042 41 R 4.8036 9.0373 128.2501 55.4338 31.5136 175.0200 42 I 4.7441 8.8518 129.0479 59.9904 38.2819 175.2808 43 Y 4.8221 8.6571 125.6814 57.7701 38.6822 177.3220 44 N 4.5667 9.3272 119.8505 55.7150 39.2710 175.2453 45 M 5.0675 7.4613 113.9669 52.8748 35.1520 175.0820 46 C 4.8096 8.3300 116.5003 57.9389 31.9238 174.7138 47 K 4.0679 8.5463 120.9729 59.8563 31.7446 178.7452 48 T 3.8868 7.9107 115.6273 66.9892 68.3942 176.3033 49 C 4.2175 8.0882 118.1180 62.3920 28.0391 175.5914 50 F 4.2877 8.3001 122.4484 61.6444 39.0926 176.8600 51 N 3.9941 8.4317 116.0733 56.1620 38.2354 176.8963 52 N 4.2497 8.2834 118.6271 56.7737 39.0486 177.1141 53 S 4.1224 8.2717 115.5798 61.3230 62.7560 176.6460 54 I 3.6220 7.2208 123.6637 64.2654 36.6290 177.8763 55 D 4.3491 7.6280 118.4259 56.9974 40.7980 178.1447 56 I 4.1702 7.8696 110.6754 60.3100 38.1531 176.0063 57 G 3.7539 7.5896 108.4276 46.7350 0.0000 172.7528 58 D 4.7715 8.2634 119.7979 52.2384 42.5648 175.4620 59 D 4.3275 8.3719 124.4704 53.0236 40.1383 177.7743 60 T 3.5988 7.8246 118.2377 67.0000 68.3346 174.4249 61 Y 4.5966 7.5637 114.5099 57.7129 38.5637 175.5486 62 H 4.4100 8.1476 118.1734 55.6128 29.4987 175.8421 63 G 4.1830 7.9983 109.5572 45.6154 0.0000 170.4728 64 H 5.0847 7.4408 113.6398 55.0571 31.0950 173.5708 65 V 4.2953 8.7693 119.0765 61.2206 34.2498 174.1839 66 D 5.1849 8.6007 127.7729 53.7203 42.2328 175.9106 67 W 4.9057 9.0661 121.7018 54.4898 32.9195 174.5350 68 L 4.3798 8.8512 127.4686 55.6673 41.8139 176.5802 69 M 4.2800 8.9798 125.2692 56.3542 32.4088 175.7702 70 Y 4.6523 7.7631 115.4947 55.7352 40.9193 175.6205 71 A 4.1764 9.3210 125.1999 54.1539 18.7486 177.7572 72 D 4.9315 8.0784 115.1051 52.3789 43.1565 175.8827 73 S 4.3775 8.6853 119.9116 58.5355 63.3584 173.8515 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 5 D 8.22 4.62 0.00 2.70 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 6 D 8.67 4.24 0.00 2.84 2.74 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 0.00 0.00 0.00 0.00 7 D 9.07 4.46 0.00 2.94 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 8 D 8.15 4.37 0.00 2.89 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 9 K 8.02 3.92 0.00 2.05 1.98 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.53 7.81 10 K 7.94 4.01 0.00 1.97 2.00 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.51 7.81 11 T 8.17 3.77 4.18 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 0.00 0.00 0.00 1.11 0.00 0.00 12 N 8.52 4.26 0.00 2.58 2.65 0.00 0.00 7.04 7.30 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 13 W 8.23 4.16 0.00 3.58 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 14 L 8.19 3.65 0.00 1.64 1.46 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.21 3.84 0.00 1.65 1.77 0.00 1.57 0.00 0.00 1.45 0.00 0.00 2.68 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.67 1.49 7.81 16 R 8.00 3.81 0.00 1.71 2.01 0.00 2.79 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 17 I 8.31 3.67 1.60 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.89 0.57 0.00 0.00 18 Y 7.80 4.05 0.00 2.80 3.02 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 19 R 7.59 3.94 0.00 2.01 2.02 0.00 3.28 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 20 V 7.76 4.17 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 0.83 0.00 0.00 1.00 0.00 0.00 21 R 7.17 4.38 0.00 1.85 1.88 0.00 3.20 0.00 0.00 3.33 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 22 P 0.00 4.42 0.00 2.10 2.01 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 23 C 8.76 3.77 0.00 3.00 2.89 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 0.00 0.00 0.00 24 V 8.68 3.67 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 0.82 0.00 0.00 0.97 0.00 0.00 25 K 7.94 3.71 0.00 1.43 1.72 0.00 1.33 0.00 0.00 1.40 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.38 7.81 26 C 7.85 4.25 0.00 3.12 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 27 K 8.10 3.98 0.00 1.92 1.92 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.47 7.81 28 V 7.45 4.12 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 0.78 0.00 0.00 0.97 0.00 0.00 29 A 7.74 4.12 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 30 P 0.00 4.63 0.00 2.19 1.85 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 31 R 7.74 4.34 0.00 1.99 2.28 0.00 3.27 0.00 0.00 3.49 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 32 D 8.82 5.01 0.00 2.90 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 33 W 8.24 5.31 0.00 3.51 3.06 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 34 K 8.82 4.43 0.00 1.73 1.87 0.00 1.31 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.40 7.81 35 V 8.36 4.47 2.19 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 0.85 0.00 0.00 1.19 0.00 0.00 36 K 9.07 4.49 0.00 1.79 1.80 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.41 7.81 37 N 9.20 4.33 0.00 3.06 2.70 0.00 0.00 6.16 7.13 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 38 K 7.43 4.78 0.00 1.79 2.06 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.50 7.81 39 H 8.55 5.37 0.00 3.30 3.25 0.00 5.78 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.18 5.03 0.00 1.71 1.61 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 41 R 9.04 4.80 0.00 1.87 1.75 0.00 2.88 0.00 0.00 2.74 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.32 0.00 42 I 8.85 4.74 2.18 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.73 1.16 0.00 0.00 43 Y 8.66 4.82 0.00 3.13 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 9.33 4.57 0.00 3.11 3.02 0.00 0.00 6.95 7.82 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 45 M 7.46 5.07 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.49 0.00 46 C 8.33 4.81 0.00 3.22 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 47 K 8.55 4.07 0.00 1.93 1.89 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.54 1.67 7.81 48 T 7.91 3.89 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 1.23 0.00 0.00 49 C 8.09 4.22 0.00 3.03 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 50 F 8.30 4.29 0.00 3.11 3.22 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 51 N 8.43 3.99 0.00 2.74 2.80 0.00 0.00 6.76 7.02 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 52 N 8.28 4.25 0.00 2.89 3.03 0.00 0.00 6.94 7.25 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 53 S 8.27 4.12 0.00 4.37 4.30 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 54 I 7.22 3.62 1.80 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 1.00 1.20 0.81 0.00 0.00 55 D 7.63 4.35 0.00 2.80 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 56 I 7.87 4.17 1.87 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 1.70 0.63 0.94 0.00 0.00 57 G 7.59 3.75 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 0.00 0.00 0.00 58 D 8.26 4.77 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.37 4.33 0.00 2.66 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 60 T 7.82 3.60 3.59 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 0.00 0.00 0.00 0.50 0.00 0.00 61 Y 7.56 4.60 0.00 3.13 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.15 4.41 0.00 3.38 3.36 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.00 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 7.44 5.08 0.00 3.06 3.32 0.00 5.47 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.77 4.30 2.26 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 0.50 0.00 0.00 0.96 0.00 0.00 66 D 8.60 5.18 0.00 2.48 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 W 9.07 4.91 0.00 3.37 3.10 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 68 L 8.85 4.38 0.00 1.68 1.66 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 69 M 8.98 4.28 0.00 1.59 1.72 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.45 0.00 70 Y 7.76 4.65 0.00 2.97 2.89 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 0.00 0.00 0.00 71 A 9.32 4.18 1.40 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 0.00 0.00 0.00 72 D 8.08 4.93 0.00 2.65 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 73 S 8.69 4.38 0.00 4.03 3.85 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 0.00 0.00 0.00