NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3729 8.3044 120.3237 54.4501 33.3896 174.7128 2 K 3.7675 8.4590 122.3008 54.4409 32.6197 175.9182 3 P 4.5589 0.0000 0.0000 62.4184 30.2822 174.4263 4 V 3.7490 7.6657 123.8727 63.6452 32.4640 175.6042 5 T 4.8561 9.1370 118.7217 60.1843 72.1827 175.3725 6 L 3.6676 8.8656 120.7356 58.4417 41.4645 179.6153 7 Y 3.9298 8.0872 115.6278 61.1688 37.9271 177.6654 8 D 4.5067 7.9687 119.5985 58.0231 41.0556 179.9049 9 V 3.5965 7.6948 111.7028 63.9050 31.4289 178.6634 10 A 3.9129 7.7901 120.4662 55.2367 18.3365 179.2600 11 E 3.9698 8.6922 117.3672 60.0107 29.3890 179.1681 12 Y 4.0861 8.2519 118.1577 60.6136 38.8873 177.6255 13 A 4.2327 8.1823 120.7519 52.3296 19.4390 176.9446 14 G 3.6312 8.4213 104.0042 46.3206 0.0000 172.7362 15 V 4.5007 8.0032 110.1537 58.3980 36.6361 176.1699 16 S 4.3901 8.2634 114.5085 58.1417 64.2599 173.8136 17 Y 3.8649 8.5825 127.0031 60.8509 38.2869 178.4664 18 Q 3.2945 7.6937 120.1997 58.6649 28.9541 177.8459 19 T 3.7622 7.5983 115.5433 66.7428 68.9652 176.1953 20 V 3.6531 7.7452 119.9523 65.5621 31.4640 177.9519 21 S 4.0303 8.2110 113.3774 61.3552 61.8604 175.9344 22 R 4.4364 8.1328 119.1940 56.3314 29.2611 177.8972 23 V 4.0609 7.3441 118.6054 63.1241 32.6078 176.6078 24 V 4.0171 7.4524 116.8266 64.2057 31.9705 175.0188 25 N 4.9687 8.4638 115.6226 52.3179 42.6591 173.8555 26 Q 3.1225 8.7634 116.9600 56.9217 27.3397 173.4563 27 A 4.2545 8.3710 118.7907 51.4723 17.9361 177.8053 28 S 4.5465 7.7549 115.2136 58.5989 66.5939 173.3356 29 H 4.0183 8.6841 118.0586 56.6279 25.0218 174.3116 30 V 4.4239 7.4484 117.7737 59.4649 34.3860 176.8912 31 S 4.7774 8.4179 118.8681 56.6170 66.3165 174.5584 32 A 3.8912 8.5414 123.7366 56.3981 18.0024 180.1334 33 K 3.9726 7.9071 116.5180 59.2468 32.5207 179.4502 34 T 3.8912 7.7928 110.0005 64.5341 68.9831 176.4337 35 R 3.8462 8.1196 121.8767 59.3826 30.1814 178.4438 36 E 4.0539 7.9882 117.9310 58.9525 29.2440 179.6415 37 K 3.9324 7.9878 118.8066 59.5897 32.1657 179.2832 38 V 3.5515 7.7953 118.3779 66.1468 31.2739 178.0315 39 E 3.9123 8.2747 117.9209 59.4771 29.3269 179.2078 40 A 4.0892 7.9196 119.8925 54.7785 18.3446 179.6849 41 A 4.1187 8.2396 119.8544 55.7658 18.3892 179.7284 42 M 4.0156 8.2663 116.1080 58.2592 32.0556 178.2708 43 A 4.3445 7.8943 119.6073 54.3390 19.3715 179.0991 44 E 4.0516 7.9337 116.3998 58.1233 30.0191 177.5224 45 L 4.4885 7.0911 117.5747 53.3254 43.5352 177.1218 46 N 4.6767 8.2398 120.9106 51.5145 36.0814 173.9487 47 Y 4.3475 7.7441 123.0693 58.6382 40.3584 175.3573 48 I 4.1454 7.2480 125.2453 58.3953 39.9403 173.2857 49 P 3.9169 0.0000 0.0000 64.0080 31.4156 176.5621 50 N 4.5724 9.2862 120.5819 53.3563 36.1372 174.5850 51 R 4.2286 7.5283 122.9283 56.3619 30.9406 175.0961 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 8.30 4.37 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 2 K 8.46 3.77 0.00 1.79 1.73 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.49 7.81 3 P 0.00 4.56 0.00 2.33 2.07 0.00 3.82 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 1.99 1.95 0.00 4 V 7.67 3.75 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 1.07 0.00 0.00 1.05 0.00 0.00 5 T 9.14 4.86 4.57 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 0.00 0.00 0.00 1.41 0.00 0.00 6 L 8.87 3.67 0.00 1.78 1.74 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.09 3.93 0.00 3.12 3.08 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 0.00 0.00 0.00 0.00 8 D 7.97 4.51 0.00 2.91 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.69 3.60 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 0.70 0.00 0.00 0.51 0.00 0.00 10 A 7.79 3.91 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.69 3.97 0.00 2.09 2.11 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 2.44 2.74 0.00 12 Y 8.25 4.09 0.00 3.06 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 13 A 8.18 4.23 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.42 3.63 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 0.00 0.00 0.00 15 V 8.00 4.50 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 0.67 0.00 0.00 0.91 0.00 0.00 16 S 8.26 4.39 0.00 3.89 3.68 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 17 Y 8.58 3.86 0.00 2.20 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.69 3.29 0.00 1.85 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.43 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 19 T 7.60 3.76 4.37 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 1.17 0.00 0.00 20 V 7.75 3.65 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 0.84 0.00 0.00 0.88 0.00 0.00 21 S 8.21 4.03 0.00 3.62 3.68 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 22 R 8.13 4.44 0.00 1.98 1.87 0.00 3.09 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.49 0.00 23 V 7.34 4.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.95 0.00 0.00 24 V 7.45 4.02 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 0.93 0.00 0.00 0.94 0.00 0.00 25 N 8.46 4.97 0.00 2.68 2.62 0.00 0.00 6.79 8.18 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 26 Q 8.76 3.12 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.10 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 27 A 8.37 4.25 1.28 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 0.00 0.00 0.00 28 S 7.75 4.55 0.00 3.81 3.74 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 29 H 8.68 4.02 0.00 3.27 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.45 4.42 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 0.75 0.00 0.00 0.91 0.00 0.00 31 S 8.42 4.78 0.00 3.88 3.78 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 32 A 8.54 3.89 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 33 K 7.91 3.97 0.00 1.87 1.80 0.00 1.60 0.00 0.00 1.86 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.54 7.81 34 T 7.79 3.89 4.22 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 1.20 0.00 0.00 35 R 8.12 3.85 0.00 1.98 2.25 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 36 E 7.99 4.05 0.00 2.12 1.99 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 2.33 2.47 0.00 37 K 7.99 3.93 0.00 2.00 2.00 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.73 1.68 7.81 38 V 7.80 3.55 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 39 E 8.27 3.91 0.00 2.23 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 2.54 0.00 40 A 7.92 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 41 A 8.24 4.12 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 M 8.27 4.02 0.00 2.00 2.29 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.78 0.00 43 A 7.89 4.34 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 44 E 7.93 4.05 0.00 2.23 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 0.00 2.46 2.45 0.00 45 L 7.09 4.49 0.00 1.66 1.45 0.16 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.24 4.68 0.00 2.79 2.85 0.00 0.00 6.02 7.54 0.00 0.00 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 Y 7.74 4.35 0.00 2.94 2.93 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 48 I 7.25 4.15 1.69 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.89 0.77 0.00 0.00 49 P 0.00 3.92 0.00 1.83 1.96 0.00 3.49 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 50 N 9.29 4.57 0.00 2.86 3.03 0.00 0.00 6.95 7.69 0.00 0.00 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 R 7.53 4.23 0.00 1.62 1.75 0.00 3.35 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00