NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4419 8.2893 120.3260 54.4562 30.9612 174.7184 2 P 4.3733 0.0000 0.0000 61.6976 33.1333 174.7710 3 R 4.3310 8.9621 119.5473 56.7759 32.2515 177.6367 4 L 5.1977 8.7698 120.5772 51.6931 44.7873 175.1270 5 K 4.3732 8.4847 125.9061 56.1956 33.7237 175.5584 6 V 4.6928 8.4351 126.8120 61.2266 34.8011 173.5852 7 K 5.5498 8.3747 129.7570 53.7971 34.4814 174.9617 8 L 4.5436 8.4147 129.4345 55.3656 42.7904 177.2870 9 V 4.5717 8.2995 114.9646 60.2094 36.0589 175.1832 10 K 4.3734 8.1501 122.0476 53.9991 32.8819 175.7882 11 S 4.1998 8.7075 121.8596 57.8800 62.7908 172.3379 12 P 4.4601 0.0000 0.0000 64.3745 31.4310 175.7436 13 I 3.8303 7.3500 120.8091 64.6741 36.7555 175.9668 14 G 3.9331 9.0127 113.3575 45.2798 0.0000 172.2716 15 Y 4.6458 7.7114 117.1031 55.3225 40.0627 174.4115 16 P 4.4202 0.0000 0.0000 62.5194 33.3422 177.6627 17 K 3.9682 8.5661 119.9654 59.8407 32.2121 178.3705 18 D 4.3967 8.2446 118.9187 57.0418 38.7946 178.6707 19 Q 3.9930 8.0809 118.7692 58.4013 28.6341 178.7395 20 K 3.9464 7.8121 119.3904 59.5696 32.1797 179.3184 21 A 3.9965 8.3522 120.7521 54.7050 18.1811 179.5914 22 A 3.9158 7.8648 119.6712 55.5160 18.4972 179.8945 23 L 4.0509 7.6825 116.8739 57.0504 41.6384 179.6457 24 K 3.8257 7.7470 120.3272 59.2811 31.9733 178.6700 25 A 4.0447 7.9815 120.0796 54.7177 18.3688 178.8680 26 L 4.2285 7.9552 115.7089 54.4055 42.8061 176.4877 27 G 3.6392 7.7576 106.2577 46.5220 0.0000 174.6262 28 L 4.9097 8.6470 119.4240 52.9768 44.6070 176.3660 29 R 3.9214 9.6643 127.1298 57.4579 28.0024 179.7200 30 R 4.2820 8.8849 123.9887 55.4769 31.7176 176.2737 31 L 4.1293 8.1824 118.8416 55.7642 42.2642 175.9650 32 Q 3.7424 8.5349 118.5096 56.8915 27.1797 173.1722 33 Q 4.4457 7.3589 118.1091 55.3943 30.6520 174.4881 34 E 4.7425 8.4279 124.4416 55.6506 31.7435 176.1830 35 R 4.2000 7.7723 114.4896 56.0179 33.5768 173.4848 36 V 4.4401 8.4991 127.7101 61.8962 32.1656 174.7585 37 L 4.9147 8.3181 127.1403 52.4118 45.8176 175.9705 38 E 4.5287 8.6858 120.1163 56.4151 30.6076 176.2606 39 D 5.0305 7.6995 117.1375 54.2553 41.7491 176.6418 40 T 4.0406 7.9943 106.5657 60.6692 69.3394 172.8086 41 P 4.1947 0.0000 0.0000 65.8600 31.6432 178.6386 42 A 4.1040 7.8762 118.6682 55.4495 18.3936 179.4881 43 I 3.6852 7.5821 117.6863 64.5354 36.9823 178.9060 44 R 3.9653 8.2845 119.1699 59.3301 30.0392 179.0088 45 G 3.7533 7.8806 104.8941 48.1582 0.0000 175.3533 46 N 4.3569 7.9508 117.1270 56.1812 39.2575 177.4403 47 V 3.6869 7.6051 119.2664 65.4156 31.4940 177.8276 48 E 3.9989 8.2909 119.7418 59.1888 29.4103 178.5833 49 K 4.3086 7.7515 115.4743 57.9751 32.2784 177.9329 50 V 4.1281 7.1214 110.7905 60.6376 32.6763 177.2368 51 A 4.0908 7.9730 126.9357 55.5011 18.1670 179.9852 52 H 4.5359 7.9483 108.9157 57.0005 29.1020 175.7565 53 L 4.4224 8.1191 120.1998 55.0909 42.9979 176.2581 54 V 4.8560 7.1473 108.6234 59.5505 35.9872 175.4597 55 R 4.4744 8.5248 122.2121 54.6414 31.4401 176.2234 56 V 4.2051 8.3174 124.3900 62.7670 32.7217 175.0330 57 E 4.6902 9.1541 124.5442 54.6781 34.1062 175.0012 58 V 4.2693 8.4903 123.7648 61.7628 32.4121 175.7348 59 V 4.0579 8.0942 128.0451 62.8584 31.6191 175.2381 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 8.29 4.44 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 P 0.00 4.37 0.00 2.31 2.18 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 3 R 8.96 4.33 0.00 1.99 1.89 0.00 3.06 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 4 L 8.77 5.20 0.00 1.74 1.54 1.06 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.48 4.37 0.00 1.83 1.68 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.43 7.81 6 V 8.44 4.69 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 0.86 0.00 0.00 0.97 0.00 0.00 7 K 8.37 5.55 0.00 1.92 1.62 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 8 L 8.41 4.54 0.00 1.72 1.50 0.91 0.93 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 9 V 8.30 4.57 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 1.01 0.00 0.00 0.95 0.00 0.00 10 K 8.15 4.37 0.00 1.76 1.64 0.00 1.98 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.51 7.81 11 S 8.71 4.20 0.00 3.90 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 12 P 0.00 4.46 0.00 2.31 2.29 0.00 3.79 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 2.11 2.00 0.00 13 I 7.35 3.83 1.91 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 1.27 0.83 0.92 0.00 0.00 14 G 9.01 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 15 Y 7.71 4.65 0.00 3.12 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 2.37 2.04 0.00 3.99 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 17 K 8.57 3.97 0.00 1.80 1.82 0.00 1.77 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.46 7.81 18 D 8.24 4.40 0.00 2.92 2.95 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 19 Q 8.08 3.99 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 20 K 7.81 3.95 0.00 1.94 1.88 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.27 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.75 7.81 21 A 8.35 4.00 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 22 A 7.86 3.92 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 23 L 7.68 4.05 0.00 1.81 1.71 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.75 3.83 0.00 1.78 1.99 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 A 7.98 4.04 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 26 L 7.96 4.23 0.00 1.63 1.71 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.76 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.65 4.91 0.00 1.63 1.60 0.94 0.81 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 29 R 9.66 3.92 0.00 1.75 1.55 0.00 3.32 0.00 0.00 3.27 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 30 R 8.88 4.28 0.00 1.92 1.97 0.00 3.03 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 31 L 8.18 4.13 0.00 1.75 1.57 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.53 3.74 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.67 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 33 Q 7.36 4.45 0.00 2.27 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.66 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 34 E 8.43 4.74 0.00 1.88 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 2.25 2.23 0.00 35 R 7.77 4.20 0.00 1.94 1.75 0.00 3.12 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 36 V 8.50 4.44 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 0.93 0.00 0.00 37 L 8.32 4.91 0.00 1.63 1.51 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.69 4.53 0.00 1.83 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 0.00 2.31 2.37 0.00 39 D 7.70 5.03 0.00 2.88 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 40 T 7.99 4.04 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 41 P 0.00 4.19 0.00 2.04 2.17 0.00 3.68 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 2.16 0.00 42 A 7.88 4.10 1.31 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 0.00 0.00 43 I 7.58 3.69 1.86 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 1.52 1.64 0.90 0.00 0.00 44 R 8.28 3.97 0.00 2.07 1.97 0.00 3.14 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.03 0.00 45 G 7.88 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 46 N 7.95 4.36 0.00 2.70 2.87 0.00 0.00 6.84 7.68 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 47 V 7.61 3.69 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 0.97 0.00 0.00 0.94 0.00 0.00 48 E 8.29 4.00 0.00 2.13 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 0.00 2.30 2.34 0.00 49 K 7.75 4.31 0.00 1.77 1.85 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.70 1.62 7.81 50 V 7.12 4.13 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 0.72 0.00 0.00 0.97 0.00 0.00 51 A 7.97 4.09 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 52 H 7.95 4.54 0.00 3.21 3.42 0.00 5.70 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.12 4.42 0.00 1.58 1.69 0.59 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.15 4.86 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 0.63 0.00 0.00 0.93 0.00 0.00 55 R 8.52 4.47 0.00 1.72 1.84 0.00 3.27 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 56 V 8.32 4.21 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 0.76 0.00 0.00 0.91 0.00 0.00 57 E 9.15 4.69 0.00 1.96 1.74 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 2.21 2.37 0.00 58 V 8.49 4.27 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 0.75 0.00 0.00 0.93 0.00 0.00 59 V 8.09 4.06 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 0.87 0.00 0.00 0.93 0.00 0.00