NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3662 8.1127 121.1245 56.3752 32.1305 173.3441 5 E 4.5573 8.3675 118.6916 53.2868 32.6453 173.1315 6 C 4.2195 9.5245 127.1505 59.5686 32.2625 173.4957 7 D 4.5084 8.3166 125.1921 55.6406 39.5107 175.8712 8 Y 4.4617 7.5555 118.2217 58.8013 41.7703 176.6227 9 C 4.0033 8.2801 113.2753 62.0980 30.7605 174.6040 10 G 3.4839 8.5350 109.7347 45.2461 0.0000 173.9131 11 T 4.1237 7.9436 110.5537 61.7990 70.2488 173.0192 12 D 5.0198 8.4771 122.1058 53.6675 41.6278 176.4625 13 I 3.8094 8.0918 125.5379 61.0454 37.7816 175.6867 14 E 3.8239 9.0642 129.0786 55.5936 29.5983 174.5136 15 P 4.1659 0.0000 0.0000 64.9617 31.3495 176.2232 16 G 3.8882 9.6869 108.8865 46.0577 0.0000 172.4202 17 T 4.5531 7.1906 113.6497 62.3367 72.7141 174.3203 18 G 4.1612 8.9677 107.6159 46.0447 0.0000 172.4442 19 T 4.8219 8.3156 113.4643 61.8101 73.2881 173.4131 20 M 4.9851 8.6009 122.3984 53.8408 34.7900 174.9520 21 F 4.7504 9.5334 131.2806 57.2416 40.3315 174.7032 22 V 3.9970 8.0292 127.4616 62.6526 31.8296 175.7640 23 H 3.9875 9.6848 126.2541 54.8045 29.5943 176.6735 24 K 3.9386 8.6299 122.0034 59.7306 32.0732 177.8372 25 D 4.3956 8.1246 116.5781 55.7689 39.1916 176.0041 26 G 3.4564 7.5360 107.2328 44.7436 0.0000 173.9175 27 A 4.0750 8.5164 123.9730 52.9701 19.4940 176.5222 28 T 4.6863 8.4890 117.8126 61.9935 71.0390 173.8477 29 T 4.6895 8.4955 122.3718 62.1173 71.5743 172.9249 30 H 5.2594 10.1355 124.8890 54.7207 31.2066 174.4201 31 F 5.1504 9.2587 120.0793 56.0454 42.4629 175.8152 32 C 4.4066 9.2022 116.5909 60.0179 30.2455 173.5469 33 S 4.6076 7.5870 114.3951 56.4369 66.4776 175.1625 34 S 4.7882 8.4112 117.8186 60.5674 62.8185 175.9272 35 K 3.7179 8.0932 122.9034 59.9670 31.7000 178.0090 36 C 4.0942 7.9645 115.4296 62.6220 28.1186 175.6900 37 E 2.7648 7.4175 119.5937 59.4683 28.9914 179.7232 38 N 4.1970 8.4848 116.3837 56.4022 38.5161 177.3563 39 N 4.4451 8.0629 117.7131 55.9286 38.4491 177.3506 40 A 4.2671 8.0006 122.6960 55.5563 18.3693 179.2895 41 D 3.9226 8.0468 116.2053 57.6284 40.9496 178.9827 42 L 4.2009 7.4631 117.6766 55.9609 41.6640 178.1320 43 G 4.0218 8.9849 108.1821 45.0985 0.0000 173.8928 44 R 4.2897 7.5427 117.9510 55.6386 31.1353 175.6408 45 E 4.5604 8.4851 119.9417 54.4620 31.3412 177.0247 46 A 3.3415 8.0825 127.0489 55.1408 18.7028 179.5858 47 R 3.7901 7.8302 111.0827 59.5256 29.3046 177.7733 48 N 4.3689 7.9445 113.6608 53.8448 38.9191 174.9536 49 L 4.4182 7.2810 120.1199 52.8876 41.8532 176.8699 50 E 3.9300 8.9766 124.9134 59.2074 29.5131 179.0818 51 W 4.3770 7.9089 113.9006 58.7746 28.8795 176.6591 52 T 3.8044 6.8861 117.3565 63.0433 68.3943 175.2782 53 D 4.3601 8.6423 125.5008 57.7856 40.8582 177.7048 54 T 3.7170 7.6490 114.7429 67.0169 68.8606 174.9663 55 A 4.0173 7.8335 123.4964 55.4192 18.6132 177.6199 56 R 4.0720 8.1951 117.8190 56.6941 30.0345 176.7795 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 R 8.11 4.37 0.00 1.91 1.90 0.00 3.05 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 5 E 8.37 4.56 0.00 1.96 1.71 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 2.15 2.56 0.00 6 C 9.52 4.22 0.00 3.11 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 7 D 8.32 4.51 0.00 2.59 2.62 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 8 Y 7.56 4.46 0.00 2.84 2.97 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 9 C 8.28 4.00 0.00 3.11 3.30 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 10 G 8.54 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.94 4.12 4.30 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 1.37 0.00 0.00 12 D 8.48 5.02 0.00 2.61 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 13 I 8.09 3.81 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.97 0.00 0.00 14 E 9.06 3.82 0.00 2.06 1.91 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 2.40 2.41 0.00 15 P 0.00 4.17 0.00 2.22 2.09 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 16 G 9.69 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 17 T 7.19 4.55 4.54 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 0.00 0.00 0.00 1.25 0.00 0.00 18 G 8.97 4.16 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 0.00 0.00 0.00 19 T 8.32 4.82 4.33 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 1.28 0.00 0.00 20 M 8.60 4.99 0.00 1.95 1.80 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.41 0.00 21 F 9.53 4.75 0.00 3.23 3.26 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 0.00 22 V 8.03 4.00 1.92 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 0.73 0.00 0.00 0.87 0.00 0.00 23 H 9.68 3.99 0.00 3.27 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.63 3.94 0.00 1.73 1.85 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.43 7.81 25 D 8.12 4.40 0.00 2.81 2.79 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 26 G 7.54 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.52 4.08 1.27 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 0.00 0.00 0.00 28 T 8.49 4.69 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 29 T 8.50 4.69 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 0.74 0.00 0.00 30 H 10.14 5.26 0.00 3.14 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.26 5.15 0.00 2.98 3.02 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 32 C 9.20 4.41 0.00 3.16 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 33 S 7.59 4.61 0.00 4.05 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 34 S 8.41 4.79 0.00 3.96 4.08 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 35 K 8.09 3.72 0.00 1.77 1.89 0.00 1.45 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.43 1.37 7.81 36 C 7.96 4.09 0.00 3.41 3.02 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 37 E 7.42 2.76 0.00 1.73 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 1.47 1.74 0.00 38 N 8.48 4.20 0.00 2.78 2.79 0.00 0.00 7.13 7.17 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 39 N 8.06 4.45 0.00 3.06 3.15 0.00 0.00 6.90 7.79 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 40 A 8.00 4.27 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 41 D 8.05 3.92 0.00 2.66 2.69 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 0.00 0.00 0.00 0.00 42 L 7.46 4.20 0.00 1.90 1.77 0.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.98 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 44 R 7.54 4.29 0.00 2.14 1.99 0.00 3.26 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 45 E 8.49 4.56 0.00 1.96 1.79 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 2.34 2.29 0.00 46 A 8.08 3.34 0.49 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 0.00 0.00 0.00 47 R 7.83 3.79 0.00 1.84 1.97 0.00 3.25 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 48 N 7.94 4.37 0.00 2.73 2.89 0.00 0.00 7.07 7.14 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 49 L 7.28 4.42 0.00 1.08 1.11 1.16 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.98 3.93 0.00 2.04 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 2.32 2.34 0.00 51 W 7.91 4.38 0.00 3.61 3.25 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 52 T 6.89 3.80 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 0.91 0.00 0.00 53 D 8.64 4.36 0.00 2.78 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 54 T 7.65 3.72 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 55 A 7.83 4.02 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 56 R 8.20 4.07 0.00 1.91 1.86 0.00 3.22 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00