NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 M 4.5209 8.3049 120.2627 55.4182 33.5789 175.3933 8 C 4.6112 8.7689 120.0998 53.9697 43.1604 170.9903 9 L 5.0848 9.2325 123.4885 53.4244 44.7276 176.2661 10 L 4.4109 8.1494 125.9685 54.2538 42.1017 174.7452 11 A 4.0033 8.0963 125.1692 52.5069 18.0320 177.2267 12 N 5.0837 7.7836 110.2314 52.8824 41.0696 175.5102 13 T 4.1922 8.1655 113.6213 63.2435 68.7117 170.8371 14 T 3.6709 8.5117 126.0757 62.8634 68.0537 171.0505 15 F 5.0325 8.3506 120.3330 54.0241 41.3419 172.0774 16 P 4.4904 0.0000 0.0000 62.7332 31.9724 177.5620 17 C 3.9245 9.0738 121.0913 60.2296 40.1752 176.4045 18 S 4.0629 8.0725 111.3017 60.2058 63.2219 174.2345 19 Q 4.6718 7.9032 120.3960 53.4018 28.2203 173.2512 20 P 4.1742 0.0000 0.0000 61.3729 32.6650 176.8682 21 P 4.2464 0.0000 0.0000 65.2524 31.4352 176.5592 22 C 4.3842 7.9248 113.2197 57.5357 42.0599 174.2027 23 T 3.9553 7.2154 111.0113 61.3237 68.5123 172.2063 24 P 4.5015 0.0000 0.0000 62.3922 33.5739 175.8881 25 C 4.1971 8.6568 113.0855 58.2338 31.9712 175.1955 26 C 4.1910 8.0735 120.5615 60.5684 40.1833 175.5984 27 Y 3.9125 7.4062 118.9870 60.6639 38.4534 177.3498 28 E 4.1222 8.1731 118.2414 59.1698 29.7148 179.1161 29 K 4.3596 7.8205 117.5514 58.0874 32.4798 177.7753 30 E 4.3817 7.8506 124.5902 52.8571 30.5987 173.3965 31 P 3.6944 0.0000 0.0000 65.1259 31.4095 177.9408 32 E 3.8375 7.9083 118.5598 59.2495 29.7923 178.4118 33 E 4.0160 8.0638 118.5576 59.1279 29.6880 178.8328 34 T 3.8829 7.5706 115.4026 66.6633 68.5327 176.7100 35 L 4.1129 7.8045 120.7625 57.8189 41.5750 179.7980 36 R 3.9356 7.9939 117.9215 59.4344 29.7857 178.7764 37 M 4.1007 7.8154 116.7808 58.7104 32.6976 177.9726 38 L 4.2772 8.0532 119.1820 57.9397 41.5813 179.3621 39 E 4.0518 8.3268 117.7743 59.3895 29.4798 178.6581 40 D 4.6319 7.9588 116.8436 55.7208 40.9931 176.7416 41 N 5.0391 7.7065 116.1647 52.9762 39.2853 176.9424 42 V 2.8805 7.8166 114.4224 64.4770 31.6412 177.5625 43 M 4.1735 7.7866 117.5784 57.1665 32.3668 176.9763 44 R 4.1294 7.6056 119.5181 55.0675 30.7019 176.0686 45 P 4.2907 0.0000 0.0000 65.3273 31.5463 176.8567 46 G 4.0967 7.8749 107.4091 45.7688 0.0000 175.1635 47 Y 3.9508 7.8940 123.1976 60.7258 38.7666 177.3619 48 Y 3.9712 7.9554 116.6200 60.6483 37.9233 178.1768 49 Q 4.0512 8.0163 119.1377 58.5525 28.9273 178.0028 50 L 4.3966 7.5198 123.0264 57.3867 42.1113 178.6800 51 L 3.7221 7.7213 120.6964 57.9133 40.7131 178.7190 52 Q 3.8888 8.0098 119.2230 59.2852 28.8619 178.1859 53 A 4.1704 7.5331 119.9267 55.3365 18.5194 179.5275 54 S 4.3023 8.3799 113.7209 60.7951 62.5854 175.8077 55 L 4.7550 7.4174 118.9937 53.6534 42.2320 175.8952 56 T 4.5934 6.3840 113.2539 61.9357 70.5109 173.2322 57 C 4.8760 8.0487 122.0260 56.0451 46.3568 173.5585 58 S 4.3686 8.7559 119.3116 58.4564 62.7280 173.7961 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 7 M 8.30 4.52 0.00 1.82 2.00 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 2.47 2.49 0.00 8 C 8.77 4.61 0.00 1.94 2.25 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 9 L 9.23 5.08 0.00 1.50 1.54 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.15 4.41 0.00 1.98 1.61 0.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.10 4.00 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 N 7.78 5.08 0.00 2.66 2.77 0.00 0.00 6.66 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 13 T 8.17 4.19 4.27 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 1.33 0.00 0.00 14 T 8.51 3.67 4.27 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 1.22 0.00 0.00 15 F 8.35 5.03 0.00 3.13 3.05 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 0.00 0.00 0.00 0.00 16 P 0.00 4.49 0.00 2.28 2.25 0.00 3.93 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 17 C 9.07 3.92 0.00 2.95 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 18 S 8.07 4.06 0.00 3.99 4.01 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 19 Q 7.90 4.67 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 20 P 0.00 4.17 0.00 2.10 2.22 0.00 3.73 0.00 0.00 4.00 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 21 P 0.00 4.25 0.00 2.07 2.07 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 22 C 7.92 4.38 0.00 3.06 3.19 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 0.00 0.00 0.00 0.00 23 T 7.22 3.96 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 24 P 0.00 4.50 0.00 2.20 2.10 0.00 3.91 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 25 C 8.66 4.20 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 26 C 8.07 4.19 0.00 3.24 3.17 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 0.00 27 Y 7.41 3.91 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 4.12 0.00 2.01 2.01 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 2.43 2.40 0.00 29 K 7.82 4.36 0.00 1.77 1.83 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.57 7.81 30 E 7.85 4.38 0.00 1.89 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 2.22 0.00 31 P 0.00 3.69 0.00 1.82 1.05 0.00 3.58 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.72 0.00 32 E 7.91 3.84 0.00 2.01 1.94 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 2.37 2.36 0.00 33 E 8.06 4.02 0.00 2.04 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 2.36 2.39 0.00 34 T 7.57 3.88 4.46 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 1.32 0.00 0.00 35 L 7.80 4.11 0.00 2.02 1.78 1.18 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.99 3.94 0.00 2.03 2.00 0.00 3.31 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 37 M 7.82 4.10 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.75 0.00 38 L 8.05 4.28 0.00 2.03 1.90 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.33 4.05 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 2.36 2.46 0.00 40 D 7.96 4.63 0.00 2.85 2.76 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 41 N 7.71 5.04 0.00 2.91 2.87 0.00 0.00 6.85 6.97 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 42 V 7.82 2.88 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 0.12 0.00 0.00 0.87 0.00 0.00 43 M 7.79 4.17 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 44 R 7.61 4.13 0.00 1.99 1.84 0.00 3.27 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 45 P 0.00 4.29 0.00 2.19 2.21 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 46 G 7.87 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.89 3.95 0.00 3.24 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 48 Y 7.96 3.97 0.00 3.10 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 49 Q 8.02 4.05 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 50 L 7.52 4.40 0.00 1.65 1.66 1.23 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.72 3.72 0.00 1.04 1.53 0.83 0.69 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 52 Q 8.01 3.89 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 53 A 7.53 4.17 1.33 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 0.00 0.00 54 S 8.38 4.30 0.00 3.88 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 55 L 7.42 4.75 0.00 1.55 1.59 0.84 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 56 T 6.38 4.59 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 57 C 8.05 4.88 0.00 2.89 2.91 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 0.00 0.00 0.00 58 S 8.76 4.37 0.00 3.98 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