NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1780 8.2549 119.6871 54.9170 31.7593 175.1320 2 P 4.0446 0.0000 0.0000 62.2597 31.8437 176.2499 3 D 4.4323 8.3316 121.1693 56.7055 41.5947 178.4109 4 F 4.3853 7.8342 114.7477 59.3890 37.6658 177.5772 5 C 4.6776 7.4628 115.9968 58.9898 40.0796 174.5942 6 L 4.3320 7.7855 119.0200 54.0571 42.1025 176.5148 7 E 4.2931 7.5107 119.8391 54.8539 30.2213 174.9839 8 P 4.4193 0.0000 0.0000 61.3779 32.1973 174.2943 9 P 3.5440 0.0000 0.0000 62.6199 31.3320 175.1333 10 Y 4.6588 7.8593 121.6550 56.0815 40.5003 175.4121 11 T 4.0531 8.2858 125.0555 65.2766 68.8580 175.9182 12 G 3.6943 6.6895 104.8035 43.9318 0.0000 171.2717 13 P 4.3248 0.0000 0.0000 64.9588 32.0608 177.8667 14 C 4.5080 7.8891 116.3195 57.0535 40.7569 173.6865 15 V 4.5261 7.8941 113.1439 61.0902 31.8167 175.9654 16 A 4.3229 7.6246 122.4497 50.8629 20.5894 178.8099 17 R 4.4811 7.9591 115.5227 54.6784 29.4246 173.4290 18 I 4.3678 8.2380 122.1400 59.2308 39.6285 175.6850 19 I 4.1863 8.2943 128.6768 61.3470 37.7183 175.4765 20 R 4.7569 8.4028 124.9545 54.6727 35.1062 173.4324 21 Y 5.6544 9.2418 117.2065 56.5301 41.2547 175.3737 22 F 5.7570 9.5157 117.1307 55.4057 42.1126 172.8375 23 Y 4.4430 10.1013 122.6367 57.0731 40.2088 174.0166 24 N 4.8228 8.1748 126.1449 51.4368 38.4671 174.7843 25 A 3.9097 8.3398 129.2884 54.8989 18.8380 178.9717 26 K 4.0442 7.9595 114.3484 59.0282 32.1708 178.0185 27 A 4.2051 7.9877 119.5831 51.9589 19.6164 177.9806 28 G 4.0085 8.8507 103.8699 44.9498 0.0000 172.5788 29 L 4.8306 6.7714 118.4731 54.0700 44.5526 175.3449 30 C 4.9938 8.6501 116.7708 56.4930 40.7059 173.3392 31 Q 4.9227 8.5648 121.7819 54.0666 32.7890 174.7899 32 T 4.8430 8.4600 110.8924 61.6426 70.5288 173.5618 33 F 4.9854 8.7854 116.6739 56.1006 41.9715 172.8168 34 V 4.3582 8.4257 119.8540 61.9581 32.4200 174.1671 35 Y 4.7925 8.8416 129.9479 55.9937 40.4105 176.6086 36 G 3.7688 8.2618 113.5428 46.8776 0.0000 175.1483 37 G 3.7905 6.3291 106.9529 45.1706 0.0000 172.4131 38 C 4.9302 6.8510 112.2119 54.9174 44.6661 173.3187 39 R 3.8172 8.8375 117.0184 57.2161 26.8822 176.8428 40 A 4.2865 8.2903 119.2103 52.4169 19.0986 178.3827 41 K 4.3477 8.2851 120.7608 55.0298 33.8275 177.3440 42 R 3.5355 7.9927 117.9462 58.9726 30.2631 177.4752 43 N 4.8992 7.7420 118.0319 51.4243 36.7363 173.7929 44 N 5.0793 6.6352 116.6139 52.8800 41.8309 173.5825 45 F 5.1150 9.6760 125.4147 55.6399 42.8621 176.7092 46 K 4.3141 9.1315 120.2745 58.3549 32.8007 177.8723 47 S 4.5433 7.7970 112.8043 55.4775 67.2809 174.5972 48 A 3.3226 7.3700 124.7423 54.8468 18.0723 179.8312 49 E 3.7133 7.7702 117.3810 59.4616 29.9071 178.4381 50 D 4.2748 7.8728 118.8785 57.5164 40.9373 178.0493 51 C 2.4500 7.4676 118.0840 59.1939 44.4476 175.7038 52 L 3.8750 7.7461 120.4636 57.8088 40.9261 179.7847 53 R 3.8413 7.8122 117.1459 58.8206 29.9811 178.4407 54 T 4.2738 7.2839 113.9923 64.7832 69.4301 174.9159 55 C 4.4577 8.2667 115.9474 55.7555 41.9342 173.9479 56 G 3.7512 7.4701 109.4987 47.5196 0.0000 174.0587 57 G 3.8683 8.9741 113.0603 44.8777 0.0000 172.9812 58 A 4.0500 7.2271 127.3154 52.5255 18.2509 177.2741 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 R 8.25 4.18 0.00 1.64 1.68 0.00 3.39 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.65 0.00 2 P 0.00 4.04 0.00 0.71 1.62 0.00 3.21 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.03 0.00 3 D 8.33 4.43 0.00 2.69 2.72 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 0.00 0.00 0.00 0.00 4 F 7.83 4.39 0.00 3.21 3.34 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 5 C 7.46 4.68 0.00 2.94 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 6 L 7.79 4.33 0.00 1.74 1.76 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.51 4.29 0.00 2.09 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 2.42 2.44 0.00 8 P 0.00 4.42 0.00 2.05 2.01 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 9 P 0.00 3.54 0.00 0.70 0.49 0.00 3.20 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.58 0.00 10 Y 7.86 4.66 0.00 2.79 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 11 T 8.29 4.05 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 1.16 0.00 0.00 12 G 6.69 3.69 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 0.00 0.00 0.00 13 P 0.00 4.32 0.00 2.18 2.20 0.00 3.96 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 1.98 2.03 0.00 14 C 7.89 4.51 0.00 2.80 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 15 V 7.89 4.53 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 0.66 0.00 0.00 0.88 0.00 0.00 16 A 7.62 4.32 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.96 4.48 0.00 1.72 1.75 0.00 3.19 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 18 I 8.24 4.37 2.00 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 1.19 0.51 0.96 0.00 0.00 19 I 8.29 4.19 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.40 0.68 0.00 0.00 20 R 8.40 4.76 0.00 0.77 1.77 0.00 3.40 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 21 Y 9.24 5.65 0.00 3.20 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 22 F 9.52 5.76 0.00 3.10 2.92 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 0.00 0.00 0.00 0.00 23 Y 10.10 4.44 0.00 3.11 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 24 N 8.17 4.82 0.00 2.33 2.44 0.00 0.00 6.70 8.07 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 25 A 8.34 3.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.96 4.04 0.00 1.86 1.87 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.39 7.81 27 A 7.99 4.21 1.17 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 0.00 0.00 28 G 8.85 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 0.00 0.00 0.00 29 L 6.77 4.83 0.00 1.67 1.70 0.79 0.62 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 30 C 8.65 4.99 0.00 2.89 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 31 Q 8.56 4.92 0.00 1.43 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.88 0.00 0.00 0.00 0.00 0.00 2.16 1.98 0.00 32 T 8.46 4.84 4.05 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 0.83 0.00 0.00 33 F 8.79 4.99 0.00 3.05 3.23 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 0.00 34 V 8.43 4.36 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 0.71 0.00 0.00 0.91 0.00 0.00 35 Y 8.84 4.79 0.00 2.48 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 36 G 8.26 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.33 3.79 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 0.00 0.00 0.00 38 C 6.85 4.93 0.00 3.05 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.84 3.82 0.00 2.22 2.25 0.00 3.27 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 40 A 8.29 4.29 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.29 4.35 0.00 1.73 1.68 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.20 7.81 42 R 7.99 3.54 0.00 0.75 0.66 0.00 2.49 0.00 0.00 2.89 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.25 0.00 43 N 7.74 4.90 0.00 3.30 2.89 0.00 0.00 6.71 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 44 N 6.64 5.08 0.00 2.74 2.58 0.00 0.00 7.08 7.02 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 45 F 9.68 5.11 0.00 3.16 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 46 K 9.13 4.31 0.00 1.84 1.95 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.48 7.81 47 S 7.80 4.54 0.00 3.87 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 48 A 7.37 3.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.77 3.71 0.00 1.94 1.86 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 2.30 2.33 0.00 50 D 7.87 4.27 0.00 2.94 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.47 2.45 0.00 2.74 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 52 L 7.75 3.87 0.00 1.61 1.62 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.81 3.84 0.00 1.84 1.93 0.00 3.09 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 54 T 7.28 4.27 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 1.59 0.00 0.00 55 C 8.27 4.46 0.00 2.73 2.28 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 56 G 7.47 3.75 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 0.00 0.00 0.00 57 G 8.97 3.87 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 0.00 0.00 0.00 58 A 7.23 4.05 1.02 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