NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.0329 8.3101 120.1319 55.5465 33.8168 176.4692 20 A 3.4896 8.6166 123.9109 51.3582 17.4157 176.4613 21 K 4.2221 8.6040 117.2330 57.3051 35.3811 176.8089 22 V 3.0661 7.7043 124.9175 65.4829 32.8663 176.7197 23 K 4.2364 7.9883 119.7793 59.6119 32.4676 177.4221 24 A 4.4843 8.1574 121.4604 50.8023 17.4453 178.2459 25 T 4.5193 6.6101 111.8117 62.6467 71.0163 174.3693 26 L 4.4379 7.3613 119.3633 55.0073 42.8025 176.4804 27 G 4.0193 8.2861 109.0654 44.9289 0.0000 174.2003 28 E 4.2258 8.5523 124.7183 56.2298 30.1865 175.9946 29 F 4.8204 8.5849 114.5505 55.9427 40.5442 173.8809 30 D 4.5227 8.6707 123.8579 53.5392 39.9211 175.9470 31 L 3.9029 8.0831 124.7940 55.7921 39.9781 177.7526 32 R 4.3772 7.8831 118.1843 56.2690 31.6004 174.9772 33 D 4.4991 7.9168 117.6969 54.6293 41.3605 174.9339 34 Y 4.7679 8.2139 125.6859 57.3353 38.8320 176.6397 35 R 4.2056 8.0638 120.4745 57.6442 32.9863 176.2654 36 N 4.5827 7.8362 116.9386 52.5873 37.8520 175.1429 37 V 3.6168 8.7979 125.7502 65.1760 31.2333 177.8054 38 E 4.0891 7.6279 120.0205 59.2996 29.7191 179.3665 39 V 3.8798 8.0096 117.8193 66.4502 31.4441 177.9238 40 L 4.2295 7.7302 116.9356 57.6681 41.3889 179.2355 41 K 3.5485 8.8661 119.2317 58.8288 32.1509 177.7576 42 R 4.2992 7.6164 115.3594 57.1278 30.5558 176.3643 43 F 4.6566 9.2075 118.6291 57.0620 40.5282 174.8415 44 L 5.3337 7.7297 119.2322 52.4123 44.0620 176.4678 45 S 4.3592 8.6529 118.5032 58.2636 63.6742 175.3262 46 E 3.9831 8.8164 117.9772 59.6090 29.5944 178.2231 47 T 4.4286 7.0488 105.9884 61.8783 68.8437 175.1781 48 G 4.0197 8.0268 111.0118 45.4591 0.0000 174.5361 49 K 4.1901 7.8263 118.1224 56.4353 33.3508 176.6275 50 I 4.2635 8.1635 122.8714 61.3504 37.9184 175.8642 51 L 4.4392 8.4232 126.5042 53.3953 42.2104 175.4678 52 P 4.4111 0.0000 0.0000 62.6992 31.9687 176.4455 53 R 4.1585 8.8893 118.3995 59.0782 30.0787 179.5338 54 R 4.2586 7.9991 109.8842 56.2881 28.5985 176.6278 55 R 4.5817 8.2611 111.9998 56.5523 30.7277 175.4931 56 T 4.3515 8.0053 108.2765 62.9403 71.7015 173.8579 57 G 4.1357 8.8794 108.6246 45.6380 0.0000 173.5278 58 L 3.7122 7.3928 116.9200 53.0773 42.2726 177.8433 59 S 4.4299 8.7913 118.3735 57.9583 65.0637 174.2664 60 A 3.9505 8.6382 122.1284 55.9952 17.6167 179.5251 61 K 4.0002 7.9049 117.2083 58.7828 32.6719 178.7569 62 E 4.1174 7.6630 117.7306 59.1147 29.8547 178.0496 63 Q 3.9418 8.5202 119.9738 60.2134 29.0549 178.3802 64 R 3.8941 8.1204 116.5363 58.3554 29.6790 179.2811 65 I 3.5208 7.4506 120.6491 64.9077 37.8627 176.7383 66 L 3.9003 8.1430 121.5444 57.4318 41.6888 178.4762 67 A 3.8781 8.1508 119.7913 55.3059 18.1094 179.3146 68 K 3.7968 7.9052 118.1855 60.2031 32.1938 178.5439 69 T 4.0300 7.6474 109.4398 64.2605 69.0305 176.8395 70 I 3.6318 7.9129 123.2918 64.0501 36.8326 178.3453 71 K 3.7865 8.4586 118.7775 59.5297 32.2449 178.8993 72 R 3.9908 7.4363 117.3747 59.5999 30.1833 178.5657 73 A 4.0887 8.1322 119.9871 55.6610 18.3401 179.9316 74 R 4.2278 7.6705 117.3577 58.8746 29.7360 179.3961 75 I 4.0195 7.5659 119.0010 63.9751 37.5177 177.5117 76 L 4.3766 7.8492 117.6978 54.6080 41.4222 178.6087 77 G 4.1842 8.1484 107.4050 45.6132 0.0000 175.0717 78 L 4.1376 7.5679 118.4511 56.6787 41.9807 177.3534 79 L 4.7467 7.5452 116.9066 52.1700 44.2561 174.2118 80 P 4.9170 0.0000 0.0000 62.2297 32.4212 176.0864 81 F 4.2719 8.3679 116.9304 59.1618 40.1332 175.8976 82 T 4.5747 7.4900 114.1371 63.3479 72.4581 172.7354 83 E 4.7384 8.7377 117.5671 55.2879 32.9776 175.0073 84 K 4.0147 8.9805 123.9227 56.7490 33.4377 175.7108 85 L 4.2046 8.4457 124.1528 54.5440 42.7967 176.1656 86 V 4.1714 8.2265 125.4444 62.4638 33.4104 175.1328 87 R 3.7764 8.2848 123.0222 57.0291 26.7865 176.5510 88 K 4.1888 7.8159 118.9065 56.3607 32.3232 176.8162 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 19 K 8.31 4.03 0.00 1.73 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.50 7.81 20 A 8.62 3.49 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 21 K 8.60 4.22 0.00 1.79 1.87 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.41 7.81 22 V 7.70 3.07 1.50 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 -0.59 0.00 0.00 0.65 0.00 0.00 23 K 7.99 4.24 0.00 2.02 2.08 0.00 2.09 0.00 0.00 1.97 0.00 0.00 3.27 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.55 7.81 24 A 8.16 4.48 1.23 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 25 T 6.61 4.52 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 1.16 0.00 0.00 26 L 7.36 4.44 0.00 1.53 1.50 1.05 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.29 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 0.00 0.00 0.00 0.00 28 E 8.55 4.23 0.00 1.98 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 2.33 2.29 0.00 29 F 8.58 4.82 0.00 3.07 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 30 D 8.67 4.52 0.00 2.72 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 31 L 8.08 3.90 0.00 1.31 1.09 0.80 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.88 4.38 0.00 1.73 2.01 0.00 3.22 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 33 D 7.92 4.50 0.00 2.62 2.63 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 34 Y 8.21 4.77 0.00 3.11 2.98 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 35 R 8.06 4.21 0.00 1.62 1.79 0.00 3.03 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 0.00 36 N 7.84 4.58 0.00 3.00 2.97 0.00 0.00 5.88 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 37 V 8.80 3.62 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 1.08 0.00 0.00 0.99 0.00 0.00 38 E 7.63 4.09 0.00 2.02 2.01 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 2.34 2.38 0.00 39 V 8.01 3.88 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 1.10 0.00 0.00 40 L 7.73 4.23 0.00 1.92 1.71 1.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.87 3.55 0.00 1.66 1.90 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.52 7.81 42 R 7.62 4.30 0.00 2.02 1.77 0.00 3.18 0.00 0.00 3.17 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.94 0.00 43 F 9.21 4.66 0.00 3.08 3.07 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 0.00 0.00 0.00 44 L 7.73 5.33 0.00 1.50 1.61 1.02 0.95 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 45 S 8.65 4.36 0.00 3.92 4.04 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 46 E 8.82 3.98 0.00 2.08 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 2.28 2.37 0.00 47 T 7.05 4.43 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 1.22 0.00 0.00 48 G 8.03 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 0.00 0.00 0.00 0.00 49 K 7.83 4.19 0.00 1.74 1.76 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.50 7.81 50 I 8.16 4.26 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.32 0.93 0.00 0.00 51 L 8.42 4.44 0.00 1.70 1.63 0.90 1.10 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 52 P 0.00 4.41 0.00 2.19 2.09 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 53 R 8.89 4.16 0.00 1.88 1.98 0.00 3.24 0.00 0.00 3.36 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 54 R 8.00 4.26 0.00 1.96 2.03 0.00 3.13 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 55 R 8.26 4.58 0.00 1.83 1.97 0.00 3.00 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 56 T 8.01 4.35 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 57 G 8.88 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.39 3.71 0.00 1.69 1.69 1.29 0.68 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 59 S 8.79 4.43 0.00 4.06 4.06 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 60 A 8.64 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.90 4.00 0.00 1.75 1.86 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.52 7.81 62 E 7.66 4.12 0.00 2.33 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 2.29 2.30 0.00 63 Q 8.52 3.94 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 64 R 8.12 3.89 0.00 1.91 1.77 0.00 3.19 0.00 0.00 3.15 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 65 I 7.45 3.52 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.86 0.89 0.00 0.00 66 L 8.14 3.90 0.00 1.46 1.68 0.14 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.15 3.88 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 68 K 7.91 3.80 0.00 1.84 1.99 0.00 1.48 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.49 7.81 69 T 7.65 4.03 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 70 I 7.91 3.63 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.98 0.84 0.00 0.00 71 K 8.46 3.79 0.00 1.93 1.84 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.43 7.81 72 R 7.44 3.99 0.00 2.00 1.82 0.00 2.80 0.00 0.00 2.77 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 73 A 8.13 4.09 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 74 R 7.67 4.23 0.00 1.35 1.04 0.00 2.91 0.00 0.00 2.81 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.64 0.00 75 I 7.57 4.02 2.15 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.70 0.96 0.00 0.00 76 L 7.85 4.38 0.00 1.93 1.75 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.15 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 78 L 7.57 4.14 0.00 1.85 1.76 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.55 4.75 0.00 1.63 1.44 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.92 0.00 2.05 2.02 0.00 3.62 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 2.11 2.11 0.00 81 F 8.37 4.27 0.00 3.03 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.49 4.57 4.31 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 1.29 0.00 0.00 83 E 8.74 4.74 0.00 2.02 2.03 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 2.23 2.37 0.00 84 K 8.98 4.01 0.00 1.79 1.92 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.69 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.50 7.81 85 L 8.45 4.20 0.00 1.62 1.62 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.23 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 0.88 0.00 0.00 0.94 0.00 0.00 87 R 8.28 3.78 0.00 1.98 1.94 0.00 3.40 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 88 K 7.82 4.19 0.00 1.73 1.70 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.41 7.81