NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4239 8.1633 120.6030 55.4175 34.2202 173.7626 2 Q 4.8172 8.3139 122.8327 52.2383 31.6447 173.0681 3 I 4.5030 9.7142 119.0876 58.8767 41.9829 173.9114 4 F 5.3549 9.7227 122.1774 55.7878 42.0660 174.9604 5 V 4.6698 8.7990 122.9174 61.0810 33.9499 174.0297 6 K 4.9332 9.2353 131.0419 55.6134 34.1495 175.3235 7 T 4.6090 8.7488 117.9697 61.3726 69.7105 176.0664 8 L 3.8628 8.8578 130.1815 57.2958 43.1683 177.8730 9 T 4.2045 7.3731 110.1335 61.0950 68.4185 174.0729 10 G 4.0280 8.0215 114.5604 45.6304 0.0000 173.9829 11 K 4.1758 8.4449 116.3682 56.3977 34.3556 176.5736 12 T 5.0810 8.4257 120.4822 62.1144 70.1638 174.3878 13 I 4.5151 8.9079 120.5126 59.7947 40.8377 174.2590 14 T 5.2431 8.3858 117.5063 61.9149 71.8567 174.0314 15 L 4.6648 8.5865 123.3511 53.1672 46.3476 174.8768 16 E 4.7106 8.8275 124.8624 55.1342 30.3412 175.0808 17 V 4.5968 9.5077 120.1053 59.6448 35.8600 174.8250 18 E 4.6173 8.4760 120.8632 54.2032 31.1277 176.0689 19 P 4.1934 0.0000 0.0000 65.7915 31.5823 178.3427 20 S 4.4329 7.9011 109.1139 58.7428 63.3096 173.6459 21 D 4.4584 7.8753 123.5019 54.3871 41.1031 176.0870 22 T 4.4657 8.3450 114.5981 61.1804 70.0080 175.3197 23 I 3.6712 8.4728 125.2036 64.9025 36.8969 178.1134 24 E 3.9045 7.8115 118.6163 59.5066 29.0647 178.2297 25 N 4.4768 8.2606 116.8712 56.4590 39.2690 177.1590 26 V 3.7086 7.6184 118.7295 65.2932 31.5765 178.0505 27 K 4.2712 8.5125 119.9771 58.8834 32.1289 178.9698 28 A 4.0395 7.7794 119.6704 54.1838 18.0719 179.3267 29 K 4.0695 7.7538 118.0512 59.1799 32.5513 178.5817 30 I 3.9707 7.6230 119.4700 63.7354 36.9452 177.8896 31 Q 4.1506 8.1016 122.5997 58.5754 28.7260 177.4398 32 D 4.3776 7.5101 118.2910 57.8269 41.1103 179.2766 33 K 4.2141 7.6191 115.6583 58.1509 32.3002 178.1570 34 E 4.6307 8.3867 116.0358 54.9268 31.2490 177.2652 35 G 3.9459 8.8611 107.0674 45.4015 0.0000 173.6744 36 I 4.0951 7.3456 121.8867 59.4872 38.2179 173.7932 37 P 4.3809 0.0000 0.0000 61.9559 32.2209 175.3005 38 P 4.2428 0.0000 0.0000 65.9674 31.2545 178.3562 39 D 4.4647 8.1053 114.4717 55.3490 39.5334 176.3785 40 Q 4.6379 8.1881 118.8446 55.7722 29.9687 174.9267 41 Q 5.0888 8.3509 118.4283 54.3808 32.2334 174.9595 42 R 4.6266 8.7801 120.3082 54.9289 33.5817 173.5514 43 L 5.1272 8.5452 126.9978 53.5311 43.7681 175.6317 44 I 4.9755 8.6112 124.5174 59.3768 40.3100 174.3417 45 F 5.0525 9.0692 128.5934 57.4869 41.9188 175.2364 46 A 3.3628 9.3535 125.1346 53.2991 15.3671 176.6335 47 G 4.1396 7.9924 113.7066 44.4022 0.0000 172.1558 48 K 4.5338 7.5554 117.7174 54.5633 34.8238 174.7074 49 Q 5.0523 8.2918 122.0638 55.1042 29.8163 174.7519 50 L 4.3967 8.2591 126.4862 53.5022 43.1571 176.0761 51 E 4.2851 9.0772 124.9356 55.6591 30.6601 177.1318 52 D 4.5306 9.1543 125.0840 57.6693 41.3268 179.6793 53 G 3.4989 8.3706 107.4052 48.5561 0.0000 174.6131 54 R 4.0793 7.4777 120.0311 55.9283 30.9313 176.4583 55 T 4.8067 8.4591 110.6846 59.8980 71.0363 175.7855 56 L 4.0548 8.6598 122.4346 58.3270 41.9954 180.5280 57 S 4.1990 7.8269 113.4206 61.3988 62.8917 176.2260 58 D 4.5498 7.7999 118.9788 56.5434 40.5193 176.6822 59 Y 4.7440 7.6788 114.8535 56.7540 38.9728 175.2074 60 N 4.0769 8.3266 117.0144 54.5250 37.7244 175.2773 61 I 3.7638 7.6846 118.4351 60.3699 37.7612 176.3827 62 Q 4.3575 8.1241 128.3239 54.4012 31.1793 174.3331 63 K 3.9816 8.3166 118.5303 57.5567 32.6758 176.8666 64 E 3.5773 10.3294 123.7007 57.2579 27.0691 174.7023 65 S 4.6075 7.7460 114.4141 58.7771 64.4463 173.0880 66 T 4.9330 8.6028 119.4581 62.0143 70.2513 173.7250 67 L 4.9455 9.2548 127.7812 53.5760 45.8341 174.4703 68 H 5.4101 9.0632 119.9667 53.9251 32.2165 172.3990 69 L 5.1183 9.1686 125.2408 53.6012 44.3286 175.2676 70 V 4.6894 8.3952 124.7229 61.0189 35.2509 173.6982 71 L 4.7942 8.6155 130.0155 54.3945 42.9092 176.4214 72 R 4.2747 8.9117 122.7080 56.4103 29.3419 176.2890 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 8.16 4.42 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 2 Q 8.31 4.82 0.00 1.93 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 3 I 9.71 4.50 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.77 0.80 0.00 0.00 4 F 9.72 5.35 0.00 3.00 2.89 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 5 V 8.80 4.67 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.92 0.00 0.00 6 K 9.24 4.93 0.00 1.80 1.70 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.57 7.81 7 T 8.75 4.61 4.26 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 1.29 0.00 0.00 8 L 8.86 3.86 0.00 1.90 1.73 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.37 4.20 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 10 G 8.02 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.44 4.18 0.00 1.73 1.74 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.48 7.81 12 T 8.43 5.08 4.17 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 0.00 0.00 0.00 1.17 0.00 0.00 13 I 8.91 4.52 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.04 0.93 0.00 0.00 14 T 8.39 5.24 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 1.12 0.00 0.00 15 L 8.59 4.66 0.00 1.46 1.44 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.83 4.71 0.00 1.91 1.83 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 2.19 2.34 0.00 17 V 9.51 4.60 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.84 0.00 0.00 18 E 8.48 4.62 0.00 1.96 1.81 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 2.21 2.24 0.00 19 P 0.00 4.19 0.00 2.15 2.07 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 20 S 7.90 4.43 0.00 3.96 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 21 D 7.88 4.46 0.00 2.94 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 22 T 8.34 4.47 4.42 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 1.23 0.00 0.00 23 I 8.47 3.67 2.11 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.46 0.94 0.00 0.00 24 E 7.81 3.90 0.00 2.15 2.03 0.00 0.00 0.00 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 2.35 0.00 25 N 8.26 4.48 0.00 2.88 2.96 0.00 0.00 6.82 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 26 V 7.62 3.71 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 0.99 0.00 0.00 0.97 0.00 0.00 27 K 8.51 4.27 0.00 2.03 1.84 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.69 1.41 7.81 28 A 7.78 4.04 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 29 K 7.75 4.07 0.00 2.04 1.85 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.51 7.81 30 I 7.62 3.97 2.14 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 0.73 0.95 0.00 0.00 31 Q 8.10 4.15 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 32 D 7.51 4.38 0.00 2.77 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 4.21 0.00 1.78 1.87 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.62 7.81 34 E 8.39 4.63 0.00 1.98 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 2.23 2.43 0.00 35 G 8.86 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 0.00 0.00 0.00 36 I 7.35 4.10 1.88 0.00 0.00 0.87 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 1.13 0.92 0.00 0.00 37 P 0.00 4.38 0.00 2.35 2.18 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 38 P 0.00 4.24 0.00 2.20 2.16 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.11 4.46 0.00 2.77 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 40 Q 8.19 4.64 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 41 Q 8.35 5.09 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 42 R 8.78 4.63 0.00 1.86 1.98 0.00 3.22 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 43 L 8.55 5.13 0.00 1.63 1.56 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.61 4.98 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.58 0.92 0.00 0.00 45 F 9.07 5.05 0.00 2.75 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.35 3.36 0.48 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 47 G 7.99 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.56 4.53 0.00 1.88 1.87 0.00 1.25 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.20 1.46 7.81 49 Q 8.29 5.05 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 50 L 8.26 4.40 0.00 1.44 1.15 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.08 4.29 0.00 2.14 1.89 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 2.34 2.48 0.00 52 D 9.15 4.53 0.00 2.77 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.37 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.48 4.08 0.00 1.89 1.61 0.00 3.21 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 55 T 8.46 4.81 4.31 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 1.24 0.00 0.00 56 L 8.66 4.05 0.00 1.87 1.73 0.87 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.83 4.20 0.00 3.99 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.80 4.55 0.00 2.30 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 0.00 0.00 0.00 0.00 59 Y 7.68 4.74 0.00 3.10 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 60 N 8.33 4.08 0.00 2.77 2.92 0.00 0.00 7.06 7.82 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 61 I 7.68 3.76 1.82 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.24 0.70 0.00 0.00 62 Q 8.12 4.36 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 63 K 8.32 3.98 0.00 1.71 1.66 0.00 1.91 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.41 7.81 64 E 10.33 3.58 0.00 2.21 2.24 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 2.37 2.71 0.00 65 S 7.75 4.61 0.00 3.68 3.73 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 66 T 8.60 4.93 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 1.13 0.00 0.00 67 L 9.25 4.95 0.00 1.84 1.47 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.06 5.41 0.00 3.09 3.16 0.00 5.65 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 69 L 9.17 5.12 0.00 1.72 1.53 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.40 4.69 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 0.89 0.00 0.00 0.94 0.00 0.00 71 L 8.62 4.79 0.00 1.68 1.56 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.91 4.27 0.00 1.80 1.89 0.00 3.15 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00