NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2516 8.2601 123.5770 52.1979 19.8727 175.7962 5 A 4.4146 7.9690 123.6140 50.8428 22.3888 175.1530 6 D 4.7456 8.2457 119.8535 54.4197 39.7590 175.4143 7 T 4.2471 7.3055 109.6123 60.1466 70.5018 173.8313 8 P 4.4123 0.0000 0.0000 63.1480 32.0134 175.7541 9 T 4.5985 8.1758 110.0775 59.7017 70.9276 173.8055 10 A 4.4278 8.4730 126.7627 51.8459 19.6158 177.5703 11 C 4.9515 8.4464 118.7651 55.1957 44.2662 174.0155 12 C 4.8530 8.1258 118.6643 55.4281 41.6365 174.0043 13 F 4.3658 8.3646 120.1536 57.2498 40.5802 174.5777 14 S 4.1356 7.4257 113.1156 57.4830 65.5078 172.5858 15 Y 5.1779 7.8217 117.0887 55.9445 40.6398 175.9308 16 T 4.0929 8.7640 118.5128 62.9186 68.0171 174.1551 17 S 4.5447 8.7539 122.7460 59.7393 63.6560 174.8462 18 R 4.5650 7.5894 114.9153 53.4267 31.5653 175.2146 19 Q 2.5200 8.1652 121.3937 55.8198 29.1908 176.0862 20 I 3.8006 6.6835 126.4045 60.0300 38.0917 174.0100 21 P 3.8732 0.0000 0.0000 63.0122 31.6435 177.1873 22 Q 3.5076 8.4410 123.6757 58.5595 29.1391 176.9570 23 N 4.5540 7.6104 112.7864 53.7838 37.8952 175.5597 24 F 4.7422 7.8001 118.1802 59.1779 39.5485 175.4545 25 I 4.3438 7.6249 122.5157 61.0541 37.3440 175.3306 26 A 4.6048 8.7624 127.4020 53.4875 20.8772 175.5257 27 D 4.7790 7.9465 113.1139 54.5986 44.8664 173.8147 28 Y 5.6239 8.5602 116.9436 55.8770 40.9953 173.9494 29 F 4.6599 8.9292 115.4444 55.3659 42.0766 173.0742 30 E 4.8491 8.8430 119.2570 56.0886 30.2705 176.7773 31 T 4.3772 8.4356 114.1791 60.7471 69.8309 174.6601 32 S 4.2506 8.7816 117.5295 58.7401 62.8440 175.4250 33 S 4.3549 8.4759 118.6647 60.3770 63.3264 175.4755 34 Q 4.0935 8.1199 120.3795 58.9293 28.6123 176.6428 35 C 4.5059 7.4511 113.1222 56.6599 40.8104 173.9834 36 S 4.1978 8.6507 117.9564 60.8108 62.6657 175.2589 37 K 4.6630 7.4215 117.6006 53.4931 34.6771 174.1551 38 P 4.5362 0.0000 0.0000 62.9275 32.3877 175.6271 39 G 4.2496 8.1870 104.3776 45.0976 0.0000 171.7440 40 V 4.5872 8.6573 122.3857 60.7270 34.4174 174.4135 41 I 4.4382 8.2762 129.2906 59.7209 38.4449 174.9716 42 F 5.1390 8.7437 127.3717 57.1118 40.5114 174.5115 43 L 5.2809 9.0272 125.8420 53.7305 43.9813 176.2020 44 T 4.8477 9.0125 117.4380 60.5272 70.6630 176.0750 45 K 3.9377 8.7160 121.5056 59.9386 32.0155 178.9522 46 R 4.0927 7.8816 113.3168 56.4665 29.6297 177.3356 47 S 3.9186 8.3732 113.0849 58.5963 61.5348 171.6003 48 R 4.0355 7.5328 119.8789 57.2169 31.0115 175.4142 49 Q 5.0803 8.6934 121.9268 54.4599 30.5549 175.1180 50 V 4.4990 8.9504 124.3738 61.1041 34.7693 173.7909 51 C 4.9924 8.9752 125.4982 56.8792 39.4679 172.5089 52 A 5.1170 9.3591 124.9500 49.8337 23.0297 174.8121 53 D 3.3786 7.9437 119.5290 52.6362 41.0021 175.4971 54 P 4.1395 0.0000 0.0000 64.3646 31.3879 177.2175 55 S 4.5744 8.1479 113.1670 58.1586 63.8569 174.8592 56 E 4.1123 7.5721 121.4284 55.4252 31.3778 177.1330 57 E 3.8646 8.5049 124.5034 59.2686 29.7235 179.4758 58 W 4.3098 8.1653 116.2975 59.8014 27.7810 178.6200 59 V 3.0559 6.2916 112.4005 63.8610 30.6480 178.1629 60 Q 3.8383 7.4380 117.6512 58.8120 28.5158 178.8550 61 K 3.9759 8.5028 120.6777 60.1118 32.3106 178.4404 62 Y 4.2319 8.5975 117.2066 60.8199 37.7001 178.7120 63 V 3.2001 8.1188 119.5338 65.8260 31.6419 177.7699 64 S 4.0429 8.1199 112.9841 61.8381 62.0124 175.7516 65 D 4.4064 8.2265 120.2378 57.6399 40.6076 178.7519 66 L 4.2689 7.6719 118.2136 57.2419 41.7807 178.9803 67 E 4.2633 8.0369 118.2020 58.9639 30.2486 178.6324 68 L 4.3998 7.9907 118.9412 53.6455 41.0384 177.2523 69 S 4.4334 7.7498 117.6754 59.3474 62.2737 176.8852 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 4 A 8.26 4.25 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 5 A 7.97 4.41 1.22 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 0.00 0.00 6 D 8.25 4.75 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.31 4.25 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 1.26 0.00 0.00 8 P 0.00 4.41 0.00 2.09 2.06 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 9 T 8.18 4.60 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 1.28 0.00 0.00 10 A 8.47 4.43 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 11 C 8.45 4.95 0.00 2.74 2.40 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 12 C 8.13 4.85 0.00 2.79 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 13 F 8.36 4.37 0.00 3.00 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 14 S 7.43 4.14 0.00 3.84 3.76 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 0.00 0.00 0.00 15 Y 7.82 5.18 0.00 3.03 2.85 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 16 T 8.76 4.09 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 17 S 8.75 4.54 0.00 3.95 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 18 R 7.59 4.57 0.00 1.77 1.85 0.00 2.96 0.00 0.00 3.07 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 19 Q 8.17 2.52 0.00 1.22 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.97 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 20 I 6.68 3.80 1.88 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.65 1.09 0.00 0.00 21 P 0.00 3.87 0.00 0.49 1.27 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 22 Q 8.44 3.51 0.00 1.52 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.00 0.00 0.00 0.00 0.00 0.00 1.90 1.16 0.00 23 N 7.61 4.55 0.00 2.85 2.83 0.00 0.00 6.05 7.43 0.00 0.00 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 F 7.80 4.74 0.00 3.23 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 25 I 7.62 4.34 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.52 1.00 0.00 0.00 26 A 8.76 4.60 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.78 0.00 2.79 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 28 Y 8.56 5.62 0.00 2.88 3.16 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 29 F 8.93 4.66 0.00 2.89 2.83 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 30 E 8.84 4.85 0.00 1.97 1.96 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 2.39 2.46 0.00 31 T 8.44 4.38 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 1.09 0.00 0.00 32 S 8.78 4.25 0.00 3.90 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.35 0.00 4.02 3.97 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 0.00 0.00 0.00 34 Q 8.12 4.09 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 35 C 7.45 4.51 0.00 3.03 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.65 4.20 0.00 3.85 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 37 K 7.42 4.66 0.00 1.63 1.68 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.22 1.26 7.81 38 P 0.00 4.54 0.00 2.13 2.03 0.00 3.85 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 39 G 8.19 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.66 4.59 1.62 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 0.12 0.00 0.00 0.74 0.00 0.00 41 I 8.28 4.44 0.78 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.22 0.66 0.00 0.00 42 F 8.74 5.14 0.00 3.20 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.03 5.28 0.00 1.90 1.68 1.09 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 T 9.01 4.85 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 1.34 0.00 0.00 45 K 8.72 3.94 0.00 1.82 1.94 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.52 1.48 7.81 46 R 7.88 4.09 0.00 1.72 1.92 0.00 3.24 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 47 S 8.37 3.92 0.00 4.03 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 48 R 7.53 4.04 0.00 1.79 1.93 0.00 3.14 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 49 Q 8.69 5.08 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 50 V 8.95 4.50 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 1.06 0.00 0.00 51 C 8.98 4.99 0.00 2.99 3.24 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 0.00 52 A 9.36 5.12 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.94 3.38 0.00 1.58 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 0.00 0.00 0.00 0.00 54 P 0.00 4.14 0.00 1.92 1.93 0.00 3.35 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.83 0.00 55 S 8.15 4.57 0.00 3.84 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 56 E 7.57 4.11 0.00 1.87 1.26 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 2.36 2.31 0.00 57 E 8.50 3.86 0.00 2.08 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 2.35 0.00 58 W 8.17 4.31 0.00 3.19 3.20 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 0.00 59 V 6.29 3.06 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 0.57 0.00 0.00 60 Q 7.44 3.84 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 61 K 8.50 3.98 0.00 1.93 2.18 0.00 1.93 0.00 0.00 1.87 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.74 7.81 62 Y 8.60 4.23 0.00 3.08 2.82 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 0.00 0.00 0.00 63 V 8.12 3.20 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 0.36 0.00 0.00 0.67 0.00 0.00 64 S 8.12 4.04 0.00 3.90 3.99 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 65 D 8.23 4.41 0.00 2.62 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 66 L 7.67 4.27 0.00 1.81 1.91 1.24 1.04 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 67 E 8.04 4.26 0.00 1.98 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 0.00 2.50 2.58 0.00 68 L 7.99 4.40 0.00 1.66 1.68 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.75 4.43 0.00 3.95 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00