NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.3279 8.1733 122.1404 54.6924 33.4216 175.6022 12 T 4.2850 8.3641 110.1264 64.6872 67.8240 171.5244 13 E 4.4375 8.3646 123.2960 58.3392 32.6973 178.4492 14 L 4.2322 7.9522 123.9400 59.8539 41.1664 181.3037 15 E 4.2302 8.6104 118.9655 60.9518 29.7163 181.6409 16 E 4.1486 8.0990 119.6650 59.2225 29.6960 178.8516 17 I 3.7145 7.4254 118.6532 64.5965 37.3358 178.4966 18 Q 4.0145 8.2732 118.3854 58.4483 28.3113 178.9218 19 Q 4.1130 7.8455 119.3102 58.9225 28.9463 178.2398 20 Q 3.9890 8.1285 119.0259 59.2285 28.5660 178.6357 21 C 4.1220 8.4472 117.9147 62.5638 28.1791 175.4461 22 N 4.7208 7.8363 118.3063 55.6076 38.8707 178.0080 23 Q 4.1206 8.3801 122.5167 59.5967 28.1698 182.4742 24 V 3.8378 7.8876 118.7131 66.5638 31.6405 178.3156 25 T 3.8746 7.5609 114.0228 66.7061 68.2278 176.2592 26 D 4.4153 8.0608 120.2936 57.0385 40.6190 178.4897 27 D 4.3977 7.6908 118.7041 57.2448 40.9665 178.7068 28 S 4.2212 8.1794 115.8312 61.6154 62.7922 176.2519 29 L 3.9622 8.2242 125.4217 59.1280 41.7351 179.6586 30 E 4.0307 8.3427 118.1138 60.7266 29.5642 182.0523 31 S 4.2924 8.2699 113.6344 61.7680 62.4642 176.3890 32 T 3.8729 7.8576 112.0583 64.7013 68.4981 176.6285 33 R 3.8860 7.7258 120.8385 59.2257 30.0735 179.2320 34 R 3.9296 7.9163 117.7108 59.4199 30.0505 178.5913 35 M 4.1634 8.1872 118.6339 58.7149 32.0969 178.4013 36 L 3.9538 8.1260 119.8950 58.4058 42.1890 178.9476 37 N 4.3072 8.2010 116.1554 56.6536 38.4954 177.0102 38 M 4.0083 8.8072 120.4828 58.9699 32.1610 178.0619 39 C 4.1603 8.2568 116.9280 62.4140 28.2017 175.6769 40 E 3.9189 7.9918 120.6284 59.2689 29.3290 178.6352 41 E 4.0944 8.3381 118.7216 59.6875 29.5917 179.5605 42 S 4.1593 8.2524 115.1945 61.3162 62.6826 176.5101 43 K 4.1555 8.1960 122.2741 58.9399 31.8310 178.6212 44 E 4.0324 8.4985 118.9772 58.7422 29.3764 178.7075 45 A 4.1960 8.0798 120.9261 54.4392 18.5920 179.7538 46 G 3.6249 7.7599 103.1336 48.2672 0.0000 175.2337 47 I 3.8861 7.7390 123.1833 63.3733 37.0171 178.0883 48 R 3.9161 8.1808 117.6805 60.0333 29.1249 179.2158 49 T 3.8042 7.9059 116.2408 66.6620 68.2968 176.6941 50 L 3.9755 8.1236 120.7168 57.5985 41.5729 179.9230 51 V 3.5318 7.8905 118.6679 65.8926 31.4063 177.9935 52 M 3.9747 7.9387 118.4801 58.4346 31.7492 178.3970 53 L 3.9926 7.8671 119.0314 58.0616 42.4333 178.1766 54 D 4.4753 7.5593 118.1238 57.1033 41.4502 177.9344 55 E 4.0168 8.2747 118.0546 59.4937 29.5835 178.9212 56 Q 4.2251 8.6452 119.2426 57.9761 28.7161 177.7949 57 G 3.7957 7.6853 104.4415 45.8438 0.0000 174.6535 58 E 4.5867 7.6318 122.6482 57.9471 30.1973 177.5487 59 Q 4.0030 7.8083 117.7746 59.0620 28.6966 178.8046 60 L 4.1156 7.7081 116.4923 56.6445 41.8719 177.9799 61 D 4.7360 8.1415 119.6128 55.7321 41.2228 178.8916 62 R 3.9275 7.6918 118.2200 58.9876 30.1575 178.1994 63 I 3.8259 7.9336 118.9063 64.4563 37.6526 177.3790 64 E 3.9757 8.2132 120.2030 59.7290 29.8338 178.6628 65 E 4.9897 8.0050 120.2213 60.6627 29.8390 181.2612 66 G 3.8960 9.4162 107.2361 47.5137 0.0000 175.2773 67 L 4.3065 7.9153 118.9949 54.9493 42.1092 177.8925 68 D 4.7911 7.9338 121.5575 55.7972 42.5541 178.0081 69 Q 4.1582 7.9870 121.5199 58.9887 28.9258 178.6094 70 I 3.7494 7.6023 120.9004 65.2226 35.6524 182.1862 71 N 4.7307 8.2407 120.9141 56.7214 38.5705 177.2095 72 Q 4.1151 7.5955 121.5917 59.7972 29.5702 181.9621 73 D 4.9515 8.6570 121.6611 53.3925 39.6175 175.2088 74 M 4.8271 7.5262 124.3873 57.6855 39.6568 176.7086 75 K 4.2483 7.8548 118.7866 56.5961 32.2483 180.2799 76 D 4.5857 8.2410 117.8266 56.6075 40.2646 183.5851 77 A 4.2231 7.9251 123.5726 54.1067 18.3374 178.8532 78 E 4.3754 7.9524 110.6475 56.4894 29.9012 182.5879 79 K 4.4140 8.0498 117.9733 58.3688 32.8449 178.2239 80 N 4.4414 8.0800 117.7630 55.5464 38.0208 177.3131 81 L 4.3370 7.8989 118.8372 55.4630 39.5424 183.5393 82 E 4.2013 8.0211 117.2773 58.1469 30.3412 180.5404 83 G 4.1124 8.0599 113.1442 46.1240 0.0000 172.8152 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 11 K 8.17 4.33 0.00 1.70 1.80 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 12 T 8.36 4.28 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 13 E 8.36 4.44 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 2.25 2.31 0.00 14 L 7.95 4.23 0.00 1.69 1.65 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.61 4.23 0.00 1.94 1.98 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 2.24 2.18 0.00 16 E 8.10 4.15 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 17 I 7.43 3.71 2.03 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 1.52 0.72 0.91 0.00 0.00 18 Q 8.27 4.01 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 19 Q 7.85 4.11 0.00 2.42 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 20 Q 8.13 3.99 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 21 C 8.45 4.12 0.00 3.17 2.99 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 0.00 0.00 0.00 22 N 7.84 4.72 0.00 2.82 2.85 0.00 0.00 7.04 7.18 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 23 Q 8.38 4.12 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 24 V 7.89 3.84 2.18 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 0.97 0.00 0.00 0.95 0.00 0.00 25 T 7.56 3.87 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 26 D 8.06 4.42 0.00 2.89 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 27 D 7.69 4.40 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.18 4.22 0.00 4.03 3.90 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 29 L 8.22 3.96 0.00 1.87 1.68 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.34 4.03 0.00 2.03 1.94 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 2.24 2.18 0.00 31 S 8.27 4.29 0.00 4.07 3.95 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 32 T 7.86 3.87 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 1.30 0.00 0.00 33 R 7.73 3.89 0.00 2.07 2.01 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 34 R 7.92 3.93 0.00 1.88 1.97 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 35 M 8.19 4.16 0.00 2.05 2.38 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 2.63 2.57 0.00 36 L 8.13 3.95 0.00 1.86 1.86 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.20 4.31 0.00 3.06 2.85 0.00 0.00 6.67 7.22 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 38 M 8.81 4.01 0.00 2.02 2.30 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 2.60 2.59 0.00 39 C 8.26 4.16 0.00 3.19 2.96 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 40 E 7.99 3.92 0.00 2.09 2.05 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 2.30 2.55 0.00 41 E 8.34 4.09 0.00 2.19 1.98 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 2.33 2.51 0.00 42 S 8.25 4.16 0.00 4.15 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 K 8.20 4.16 0.00 1.90 1.93 0.00 1.63 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 1.42 1.47 7.81 44 E 8.50 4.03 0.00 2.04 1.98 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 2.32 2.59 0.00 45 A 8.08 4.20 1.37 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 0.00 0.00 0.00 46 G 7.76 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.74 3.89 1.99 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 1.92 0.82 0.91 0.00 0.00 48 R 8.18 3.92 0.00 2.01 2.22 0.00 2.77 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.70 0.00 49 T 7.91 3.80 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 50 L 8.12 3.98 0.00 1.89 1.73 0.92 0.70 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 51 V 7.89 3.53 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 1.03 0.00 0.00 0.96 0.00 0.00 52 M 7.94 3.97 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.54 0.00 53 L 7.87 3.99 0.00 1.78 1.72 0.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.56 4.48 0.00 3.03 2.80 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 55 E 8.27 4.02 0.00 2.26 2.20 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 2.44 2.35 0.00 56 Q 8.65 4.23 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 57 G 7.69 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 0.00 0.00 0.00 58 E 7.63 4.59 0.00 2.19 2.16 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 2.32 2.24 0.00 59 Q 7.81 4.00 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 60 L 7.71 4.12 0.00 1.62 1.73 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.14 4.74 0.00 2.88 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 62 R 7.69 3.93 0.00 1.95 1.97 0.00 3.16 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 63 I 7.93 3.83 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 1.41 1.62 0.91 0.00 0.00 64 E 8.21 3.98 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.37 0.00 65 E 8.01 4.99 0.00 1.96 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 2.25 2.06 0.00 66 G 9.42 3.90 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 0.00 0.00 0.00 67 L 7.92 4.31 0.00 1.61 1.69 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.93 4.79 0.00 2.93 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.99 4.16 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 70 I 7.60 3.75 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 1.41 0.80 0.91 0.00 0.00 71 N 8.24 4.73 0.00 2.82 2.84 0.00 0.00 7.27 7.07 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 72 Q 7.60 4.12 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.35 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 73 D 8.66 4.95 0.00 2.69 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 74 M 7.53 4.83 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 75 K 7.85 4.25 0.00 1.86 1.70 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.26 7.81 76 D 8.24 4.59 0.00 2.63 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 77 A 7.93 4.22 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 78 E 7.95 4.38 0.00 2.00 1.85 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 2.23 1.86 0.00 79 K 8.05 4.41 0.00 2.00 2.06 0.00 1.28 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.69 7.81 80 N 8.08 4.44 0.00 2.72 2.88 0.00 0.00 7.13 7.16 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 81 L 7.90 4.34 0.00 1.68 1.54 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.02 4.20 0.00 1.93 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.13 0.00 83 G 8.06 4.11 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 0.00 0.00 0.00