NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4195 8.3049 120.3483 55.1002 33.6526 175.1340 1 Q 4.0560 8.3192 123.5548 54.5287 29.9406 174.6849 2 P 4.2202 0.0000 0.0000 66.3277 32.2914 178.1707 3 D 4.4020 8.3021 116.4889 57.5579 40.7639 178.7827 4 A 4.0565 8.2224 121.0780 55.1056 18.0818 179.7278 5 I 3.7770 7.6953 117.8021 63.8896 37.1190 176.7030 6 N 4.7418 7.6266 114.8842 52.8300 38.5575 174.9522 7 A 4.3067 7.4498 121.6556 50.6881 19.2628 176.6176 8 P 4.4701 0.0000 0.0000 62.6668 32.1202 175.9123 9 V 4.3850 8.0441 118.5345 61.3336 34.0267 174.8559 10 T 4.4418 8.4078 123.1993 62.5868 69.3525 174.7159 11 C 5.0166 8.4985 122.3524 55.3726 44.4714 173.5170 12 C 5.0001 8.3534 117.5640 55.6508 41.6910 173.7079 13 Y 4.0705 8.5327 121.0224 57.8545 39.7563 175.6615 14 N 4.9911 7.9182 115.3102 51.1111 41.3933 173.5787 15 F 5.4584 8.3517 119.7625 55.5768 41.7013 175.3975 16 T 4.1158 9.1299 121.2005 62.4339 67.6820 173.6051 17 N 4.7446 8.8103 125.0177 54.0404 38.5116 175.2570 18 R 4.1329 7.7463 118.9532 54.3724 31.0785 175.6356 19 K 2.0000 7.9456 126.2736 55.7511 32.6592 175.6036 20 I 4.1452 5.8609 125.9423 58.9611 39.2537 175.5798 21 S 4.1222 8.2120 119.3645 58.1168 62.9205 175.5167 22 V 3.5994 8.3073 120.4193 64.1333 31.5231 178.3251 23 Q 4.0465 7.4843 115.7740 58.3214 28.8548 176.8500 24 R 4.2285 8.0435 117.9219 56.3480 30.4298 175.0480 25 L 4.8367 7.3912 117.3666 54.3229 43.0221 175.7660 26 A 4.6641 9.1812 125.7431 53.7879 20.6596 176.4616 27 S 4.8297 7.8325 107.6355 58.7058 66.1779 172.9456 28 Y 5.9065 8.4128 116.5356 57.0812 40.7030 174.0537 29 R 4.5611 8.3545 114.9163 54.9979 32.9552 173.9319 30 R 4.9372 8.5322 120.0398 55.1755 32.1878 175.6803 31 I 4.4367 8.6588 124.4822 60.5073 38.4910 176.4878 32 T 4.4992 8.4493 113.7986 60.5081 70.5228 174.0117 33 S 4.1499 8.0192 118.1352 58.6772 62.7381 175.0503 34 S 4.2638 8.5684 121.2336 60.6125 63.0719 175.5317 35 K 4.1369 7.8016 120.4256 58.9294 32.1187 177.0977 36 C 4.4842 7.6288 115.9199 55.6143 40.8616 171.9548 37 P 4.3380 0.0000 0.0000 65.2938 30.9002 176.5923 38 K 4.6488 7.3050 114.8213 54.2757 35.4356 175.2589 39 E 4.3766 8.5611 119.2941 57.2234 30.1933 175.9591 40 A 4.6539 8.2826 122.5108 51.1099 23.7174 175.0330 41 V 4.6112 8.3483 118.5777 61.0808 34.9116 174.3406 42 I 4.8564 8.7093 128.5056 59.7306 39.4030 174.5882 43 F 5.4132 9.2817 126.9041 56.1682 41.2802 174.7867 44 K 5.1980 9.5061 124.5649 54.9697 34.4872 175.9967 45 T 4.8706 8.9499 118.7556 60.3920 70.5763 175.9069 46 I 3.6891 8.3980 115.2681 63.8280 37.5057 177.3086 47 V 3.9460 7.8011 112.1074 60.9292 31.2643 176.3474 48 A 3.7773 8.2947 121.4480 52.2093 16.9622 178.6613 49 K 4.2801 8.0026 118.9371 56.8233 33.6280 175.4990 50 E 5.3061 8.7669 125.1080 54.7633 31.7761 175.4328 51 I 4.8109 9.0289 125.0054 59.6298 41.7097 173.9618 52 C 5.1996 9.0105 123.4909 56.7156 38.7146 172.4562 53 A 5.1354 9.1379 125.1198 49.9158 22.8780 174.6327 54 D 3.3700 7.9145 120.4722 52.2721 41.3998 175.3492 55 P 4.1777 0.0000 0.0000 64.1715 31.4419 176.8872 56 K 4.1872 7.7728 117.8901 56.9717 32.3736 177.0248 57 Q 4.5060 7.3577 119.1917 53.9558 31.4313 176.3698 58 K 3.9151 8.4686 124.7195 59.4842 32.4769 179.2303 59 W 4.2447 8.3093 116.4883 59.6342 27.7816 178.2914 60 V 3.1111 6.7665 118.5217 65.6533 30.9722 177.9113 61 Q 3.8727 7.5375 117.6128 58.9758 28.5204 178.4664 62 D 4.3852 8.3468 120.1828 57.4987 40.8926 179.0522 63 S 4.2030 8.2640 115.7265 61.6721 62.7166 176.6461 64 M 3.7506 8.0936 121.4897 58.4434 31.6222 178.5426 65 D 4.3698 8.1108 119.0600 57.5895 40.7247 178.3380 66 H 4.1926 8.0757 117.9906 59.2797 29.6950 177.0745 67 L 4.2330 8.1251 120.8010 57.8103 41.3032 179.1191 68 D 4.2507 8.3362 118.5796 56.8434 40.8273 178.5169 69 K 4.1027 8.0927 119.0736 59.0997 32.8881 177.8936 70 Q 4.2577 6.9352 117.7664 55.7850 29.4163 176.1442 71 T 4.2084 8.0943 109.7117 62.0550 68.9461 173.6678 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 0 M 8.30 4.42 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 1 Q 8.32 4.06 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.62 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 2 P 0.00 4.22 0.00 2.15 2.14 0.00 3.61 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 2.12 2.21 0.00 3 D 8.30 4.40 0.00 2.68 2.74 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 4 A 8.22 4.06 1.34 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 0.00 0.00 5 I 7.70 3.78 1.97 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 1.62 0.85 0.91 0.00 0.00 6 N 7.63 4.74 0.00 2.85 2.83 0.00 0.00 7.00 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 7 A 7.45 4.31 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 8 P 0.00 4.47 0.00 2.20 2.08 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 9 V 8.04 4.38 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 0.86 0.00 0.00 0.94 0.00 0.00 10 T 8.41 4.44 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 1.23 0.00 0.00 11 C 8.50 5.02 0.00 2.63 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 5.00 0.00 2.90 2.88 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 13 Y 8.53 4.07 0.00 2.91 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 14 N 7.92 4.99 0.00 2.69 2.72 0.00 0.00 6.71 7.45 0.00 0.00 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 F 8.35 5.46 0.00 3.06 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 9.13 4.12 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 17 N 8.81 4.74 0.00 2.93 3.02 0.00 0.00 6.06 7.66 0.00 0.00 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 7.75 4.13 0.00 1.71 1.78 0.00 3.17 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 19 K 7.95 2.00 0.00 0.91 1.17 0.00 1.57 0.00 0.00 1.48 0.00 0.00 3.06 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.87 0.69 7.81 20 I 5.86 4.15 1.75 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.71 0.81 0.00 0.00 21 S 8.21 4.12 0.00 3.75 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 3.60 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 0.86 0.00 0.00 0.71 0.00 0.00 23 Q 7.48 4.05 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 24 R 8.04 4.23 0.00 1.83 1.95 0.00 3.05 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 25 L 7.39 4.84 0.00 1.75 1.61 0.43 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 A 9.18 4.66 1.34 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 0.00 0.00 27 S 7.83 4.83 0.00 3.85 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 0.00 28 Y 8.41 5.91 0.00 2.60 3.04 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 29 R 8.35 4.56 0.00 1.79 1.91 0.00 2.92 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 30 R 8.53 4.94 0.00 1.73 1.87 0.00 3.19 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 31 I 8.66 4.44 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.15 0.87 0.00 0.00 32 T 8.45 4.50 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 1.20 0.00 0.00 33 S 8.02 4.15 0.00 3.86 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 34 S 8.57 4.26 0.00 4.01 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 35 K 7.80 4.14 0.00 1.79 1.91 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.55 7.81 36 C 7.63 4.48 0.00 2.84 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.34 0.00 2.02 2.10 0.00 3.41 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.04 0.00 38 K 7.30 4.65 0.00 1.91 1.78 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.27 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.18 1.37 7.81 39 E 8.56 4.38 0.00 1.86 1.90 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 2.30 2.32 0.00 40 A 8.28 4.65 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.35 4.61 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.62 0.00 0.00 42 I 8.71 4.86 1.87 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 1.26 0.86 0.96 0.00 0.00 43 F 9.28 5.41 0.00 3.10 2.95 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 44 K 9.51 5.20 0.00 1.89 1.73 0.00 1.55 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.57 7.81 45 T 8.95 4.87 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 46 I 8.40 3.69 1.89 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 1.46 0.61 0.93 0.00 0.00 47 V 7.80 3.95 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 0.72 0.00 0.00 0.95 0.00 0.00 48 A 8.29 3.78 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 49 K 8.00 4.28 0.00 1.91 1.73 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.47 7.81 50 E 8.77 5.31 0.00 1.91 1.90 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 2.27 2.34 0.00 51 I 9.03 4.81 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.93 1.10 0.00 0.00 52 C 9.01 5.20 0.00 3.15 3.33 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 53 A 9.14 5.14 1.14 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 54 D 7.91 3.37 0.00 1.76 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.18 0.00 2.04 1.92 0.00 3.29 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 56 K 7.77 4.19 0.00 1.70 1.82 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.40 7.81 57 Q 7.36 4.51 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 58 K 8.47 3.92 0.00 1.83 1.86 0.00 1.74 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.50 7.81 59 W 8.31 4.24 0.00 3.53 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 60 V 6.77 3.11 1.72 0.00 0.00 0.00 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 -0.57 0.00 0.00 61 Q 7.54 3.87 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 62 D 8.35 4.39 0.00 2.95 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 63 S 8.26 4.20 0.00 4.10 3.71 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 64 M 8.09 3.75 0.00 1.65 2.01 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.98 0.00 65 D 8.11 4.37 0.00 2.85 2.74 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 66 H 8.08 4.19 0.00 3.16 3.53 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.13 4.23 0.00 2.35 1.98 1.09 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.34 4.25 0.00 2.85 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 69 K 8.09 4.10 0.00 1.91 2.06 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.45 7.81 70 Q 6.94 4.26 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 71 T 8.09 4.21 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 1.21 0.00 0.00