NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3040 8.1593 115.2359 61.4371 67.9719 173.8336 2 P 4.2558 0.0000 0.0000 61.6273 31.4672 175.7771 3 F 3.1143 7.3153 117.9316 57.1702 44.9770 175.0432 4 A 4.1456 6.6020 129.7752 51.7728 23.0387 176.6996 5 I 3.9491 8.3848 118.4877 62.2936 38.2599 175.4806 6 K 4.3194 9.0326 129.3228 57.0586 32.3626 176.2641 7 C 4.9016 8.7569 127.3534 55.1085 46.2169 172.8168 8 A 4.2939 8.8955 125.3213 53.5223 19.8288 178.1215 9 T 4.7615 7.0550 102.9489 59.0523 73.6115 174.7599 10 D 4.4470 8.2592 119.9035 56.4949 39.5702 178.6441 11 A 3.9632 8.5662 123.7931 54.5844 18.4804 179.1513 12 D 4.1998 7.6660 114.8972 57.5519 41.2475 177.1511 13 C 3.9516 8.4287 119.5501 60.0866 42.8581 175.4909 14 S 4.4047 8.3195 115.8937 60.8611 61.6996 175.8994 15 R 3.9320 7.9123 120.0693 59.6208 29.7359 178.2517 16 K 4.4276 7.7486 116.3601 57.7861 32.5472 175.1174 17 C 4.7511 8.3739 117.3833 52.6013 43.0705 171.9388 18 P 4.8073 0.0000 0.0000 62.3127 31.7171 176.3352 19 G 3.8904 8.6357 105.2406 44.7329 0.0000 173.4401 20 N 4.1408 8.2476 114.8183 53.2163 36.5096 172.6063 21 P 4.6100 0.0000 0.0000 62.3293 32.6549 175.5455 22 P 4.6422 0.0000 0.0000 62.9430 33.0264 175.5019 23 C 5.4602 8.6095 117.6877 55.4788 41.3750 173.4507 24 R 4.6044 8.8538 120.9875 55.9789 32.8329 174.5097 25 N 4.2556 9.7497 121.1765 54.4139 37.5784 173.7695 26 G 3.8340 8.1714 100.7388 45.9190 0.0000 173.6384 27 F 5.1884 8.1948 117.5122 55.0032 42.0226 174.0606 28 C 4.6993 9.3802 125.4064 56.1687 44.0358 174.5927 29 A 3.9171 8.7918 130.6569 54.8574 18.2922 175.9118 30 C 4.4478 7.2961 107.1965 55.3853 42.3508 173.7710 31 T 4.0055 8.4046 115.0959 62.5696 66.9011 173.8386 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 T 8.16 4.30 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 1.22 0.00 0.00 2 P 0.00 4.26 0.00 1.93 1.84 0.00 3.46 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 0.49 1.65 0.00 3 F 7.32 3.11 0.00 2.86 2.33 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 4 A 6.60 4.15 1.20 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 0.00 0.00 5 I 8.38 3.95 1.95 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 1.28 0.56 0.97 0.00 0.00 6 K 9.03 4.32 0.00 1.89 1.77 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.50 1.42 7.81 7 C 8.76 4.90 0.00 3.02 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 8 A 8.90 4.29 1.29 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 0.00 0.00 0.00 9 T 7.06 4.76 4.23 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 1.19 0.00 0.00 10 D 8.26 4.45 0.00 2.90 2.94 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 11 A 8.57 3.96 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 12 D 7.67 4.20 0.00 2.79 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 13 C 8.43 3.95 0.00 3.25 3.22 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 14 S 8.32 4.40 0.00 4.08 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 3.93 0.00 1.95 2.16 0.00 3.31 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 16 K 7.75 4.43 0.00 1.90 1.86 0.00 1.70 0.00 0.00 1.98 0.00 0.00 3.21 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.50 7.81 17 C 8.37 4.75 0.00 3.03 3.18 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 18 P 0.00 4.81 0.00 2.20 2.11 0.00 3.34 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 19 G 8.64 3.89 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 0.00 0.00 0.00 20 N 8.25 4.14 0.00 2.83 2.86 0.00 0.00 6.89 8.47 0.00 0.00 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 P 0.00 4.61 0.00 2.08 2.07 0.00 3.79 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 2.00 2.04 0.00 22 P 0.00 4.64 0.00 2.14 2.21 0.00 3.66 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 2.00 0.00 23 C 8.61 5.46 0.00 2.85 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 24 R 8.85 4.60 0.00 1.80 1.71 0.00 3.29 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 25 N 9.75 4.26 0.00 2.84 3.00 0.00 0.00 7.24 8.09 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 26 G 8.17 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 0.00 0.00 0.00 27 F 8.19 5.19 0.00 3.16 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 28 C 9.38 4.70 0.00 2.95 3.01 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 0.00 0.00 0.00 29 A 8.79 3.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.30 4.45 0.00 3.17 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 31 T 8.40 4.01 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 1.22 0.00 0.00