NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5804 8.1476 118.1747 54.8625 32.8576 175.7371 2 E 3.9933 8.7047 116.3260 59.5023 29.4590 177.3144 3 Y 3.9035 8.3943 117.5128 60.6057 38.3069 179.6571 4 V 3.5134 7.6938 118.7400 66.3345 31.7479 177.6086 5 Y 4.3235 7.6727 116.2569 60.9545 37.6565 178.5201 6 A 3.9965 8.3720 121.6875 55.0465 18.4909 179.4794 7 A 3.9576 8.0376 119.2949 55.5020 18.5155 179.9632 8 L 4.0343 8.4168 117.8469 57.4982 41.2243 179.4389 9 L 3.9880 8.3966 120.9665 58.1550 42.0749 179.0664 10 L 3.8599 7.8952 118.8283 58.0485 41.5802 178.8726 11 H 4.1415 8.4229 118.4489 59.3744 29.6094 177.3753 12 S 4.2194 8.1131 114.3005 60.4017 62.8408 175.4105 13 V 4.2048 7.2857 119.5283 62.3036 32.2777 176.1331 14 G 3.9466 7.9467 106.1741 45.4476 0.0000 173.8063 15 K 4.2720 7.6364 119.0290 55.3514 32.8745 176.9299 16 E 4.0866 8.5402 122.0662 56.7832 29.9082 177.9703 17 I 4.1259 8.1068 124.6710 59.9874 36.0060 174.8828 18 N 5.1300 7.8535 122.5870 49.9404 41.8146 174.9340 19 E 3.9679 8.6104 119.1158 59.6012 29.4649 179.2487 20 E 3.9172 8.1104 118.5259 59.4940 29.7558 178.4880 21 N 4.3611 8.0827 115.9602 56.1264 38.6130 177.2317 22 L 3.9436 7.9702 120.3131 57.7616 41.7862 179.5285 23 K 3.8348 8.1562 118.0445 59.4794 32.0722 179.0123 24 A 3.9397 8.0071 120.7128 55.2921 18.0957 179.7659 25 V 3.5151 7.6733 115.1616 66.0740 31.8751 177.8393 26 L 4.0150 8.1373 118.9289 57.9954 41.4263 179.3681 27 Q 4.3145 8.8417 119.1991 58.4917 28.4958 179.2242 28 A 4.0323 7.9900 119.7630 54.3149 18.3700 178.4043 29 A 4.4812 7.6010 117.8078 51.6766 18.9485 177.6251 30 G 3.8456 8.2327 106.4443 46.6243 0.0000 174.2551 31 V 4.3635 7.4171 111.3711 58.9109 34.7453 174.6706 32 E 4.4675 8.5466 123.7901 54.1617 29.4542 174.4227 33 P 4.4448 0.0000 0.0000 62.6972 32.2115 176.2651 34 E 4.6671 9.1236 121.5843 54.3565 31.6971 176.6407 35 E 3.9110 9.0193 124.8024 59.7853 29.6089 178.8929 36 A 4.1121 7.9388 119.8232 55.0403 18.5907 179.7246 37 R 3.6846 7.7999 116.2989 59.0853 30.2476 178.8123 38 I 3.8669 7.9669 119.7548 64.6968 37.1495 178.6872 39 K 4.0225 8.5571 119.2256 59.2963 31.7221 179.3699 40 A 3.9388 8.1459 121.2930 54.8159 18.2403 179.5102 41 L 3.8212 7.7748 118.4933 58.2839 42.0535 179.1074 42 V 3.5533 7.5858 116.4931 66.2088 31.6685 177.5209 43 A 4.5484 8.5069 121.5105 54.6571 17.9891 179.4039 44 A 3.9793 8.1037 118.5803 54.9085 18.6942 179.0047 45 L 4.3442 7.7936 115.7285 54.2714 42.0768 176.6722 46 E 4.0656 7.4277 120.5101 57.7752 29.6592 177.9321 47 G 3.9515 8.9066 111.3063 45.6069 0.0000 172.7273 48 V 3.9981 7.7117 119.9380 61.1419 32.4403 175.5259 49 N 4.6299 8.5271 126.0971 52.6780 39.3005 175.2418 50 I 3.6932 8.1907 130.3254 64.2754 37.2068 177.9016 51 D 4.4155 8.1812 119.3743 57.6700 40.4862 178.7275 52 E 3.9579 8.3118 117.5732 59.1437 29.8218 179.2745 53 V 3.7264 7.7492 118.3200 66.2612 31.5800 178.2576 54 I 3.7404 8.1653 119.9096 64.2158 36.6592 177.7728 55 E 3.9195 8.1942 119.6534 58.9250 29.3901 178.2056 56 K 4.3971 7.6753 114.5062 56.2116 32.5058 176.8432 57 A 4.3637 7.9953 122.7417 52.5394 20.0094 177.5655 58 A 4.1843 8.1866 122.7880 52.8523 18.2815 177.2231 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 8.15 4.58 0.00 2.30 2.41 0.00 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 2 E 8.70 3.99 0.00 2.27 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 2.25 2.34 0.00 3 Y 8.39 3.90 0.00 3.03 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 4 V 7.69 3.51 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.85 0.00 0.00 5 Y 7.67 4.32 0.00 3.10 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 6 A 8.37 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 3.96 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.42 4.03 0.00 1.94 1.82 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.40 3.99 0.00 1.81 1.96 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.90 3.86 0.00 1.95 1.72 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 11 H 8.42 4.14 0.00 3.20 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.11 4.22 0.00 4.09 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 0.00 13 V 7.29 4.20 2.08 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 0.86 0.00 0.00 0.93 0.00 0.00 14 G 7.95 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 15 K 7.64 4.27 0.00 1.93 1.75 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.55 7.81 16 E 8.54 4.09 0.00 1.94 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 2.32 2.41 0.00 17 I 8.11 4.13 1.89 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 1.59 0.52 0.94 0.00 0.00 18 N 7.85 5.13 0.00 2.91 2.91 0.00 0.00 6.12 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 19 E 8.61 3.97 0.00 2.04 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 0.00 2.43 2.39 0.00 20 E 8.11 3.92 0.00 2.04 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 2.38 2.41 0.00 21 N 8.08 4.36 0.00 2.89 2.85 0.00 0.00 7.07 6.74 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 22 L 7.97 3.94 0.00 2.08 1.72 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.16 3.83 0.00 1.98 1.86 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.59 7.81 24 A 8.01 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.67 3.52 2.05 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 0.85 0.00 0.00 0.98 0.00 0.00 26 L 8.14 4.02 0.00 1.83 1.57 0.61 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.84 4.31 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 28 A 7.99 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 4.48 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 30 G 8.23 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.42 4.36 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 0.88 0.00 0.00 0.91 0.00 0.00 32 E 8.55 4.47 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 2.26 2.40 0.00 33 P 0.00 4.44 0.00 2.12 1.99 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 34 E 9.12 4.67 0.00 2.03 1.87 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 2.28 2.52 0.00 35 E 9.02 3.91 0.00 2.09 1.99 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 2.40 2.48 0.00 36 A 7.94 4.11 1.30 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 0.00 0.00 37 R 7.80 3.68 0.00 1.73 1.08 0.00 3.06 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 38 I 7.97 3.87 2.11 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.27 1.02 0.00 0.00 39 K 8.56 4.02 0.00 1.95 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.59 7.81 40 A 8.15 3.94 1.30 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 0.00 0.00 41 L 7.77 3.82 0.00 1.81 1.88 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.59 3.55 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 0.88 0.00 0.00 0.96 0.00 0.00 43 A 8.51 4.55 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.10 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.79 4.34 0.00 2.06 1.70 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.43 4.07 0.00 2.12 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 2.33 2.49 0.00 47 G 8.91 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 48 V 7.71 4.00 2.23 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 0.76 0.00 0.00 0.97 0.00 0.00 49 N 8.53 4.63 0.00 2.79 2.82 0.00 0.00 7.20 7.91 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 50 I 8.19 3.69 1.62 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.38 0.66 0.00 0.00 51 D 8.18 4.42 0.00 2.93 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 52 E 8.31 3.96 0.00 2.08 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 2.35 2.50 0.00 53 V 7.75 3.73 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.97 0.00 0.00 54 I 8.17 3.74 2.00 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 0.49 0.93 0.00 0.00 55 E 8.19 3.92 0.00 2.07 2.16 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 2.33 2.38 0.00 56 K 7.68 4.40 0.00 1.79 1.81 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.24 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.43 7.81 57 A 8.00 4.36 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 58 A 8.19 4.18 1.26 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 0.00 0.00