NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1497 8.2549 117.2615 54.8490 31.1164 175.1866 2 P 4.0759 0.0000 0.0000 62.1389 32.0189 176.2009 3 D 4.3957 8.3979 121.1857 57.1905 41.7709 178.5950 4 F 4.4784 7.9194 114.3977 59.4187 37.7652 177.6192 5 C 4.6779 7.4192 115.9329 58.8752 40.0464 174.6083 6 L 4.2764 7.7169 119.1959 54.3116 42.0835 176.7080 7 E 4.2741 7.4293 118.9685 55.2330 30.1836 175.1239 8 P 4.4212 0.0000 0.0000 61.2178 32.1869 174.7567 9 P 3.5754 0.0000 0.0000 62.6764 31.4148 175.2729 10 Y 4.6141 7.6958 121.3125 56.0524 40.5050 175.3550 11 T 4.2070 8.2903 125.2396 65.2201 68.8634 176.1550 12 G 3.7602 6.8406 104.5682 44.1062 0.0000 171.3202 13 P 4.3273 0.0000 0.0000 64.4580 31.5976 177.6683 14 C 4.4768 7.7129 116.9418 56.7975 40.7937 173.8507 15 K 4.2302 8.3050 119.5847 56.6447 32.2863 177.0671 16 A 4.2366 7.9084 122.2083 51.5234 20.0504 177.2138 17 R 4.5120 8.2318 117.9823 54.1416 29.9182 174.1941 18 I 4.4306 8.1993 122.2531 59.3097 40.0566 175.1358 19 I 4.2840 8.1758 127.4774 61.1003 38.0166 175.3184 20 R 4.5246 8.2502 124.4029 54.5926 35.0200 173.4381 21 Y 5.7452 9.1263 117.5530 56.5436 41.2912 175.2776 22 F 5.7815 9.3408 116.5385 55.5083 42.4304 172.7171 23 Y 4.4598 9.8675 122.5560 56.9452 40.1828 174.0824 24 N 4.7407 8.1690 126.1861 51.5788 38.3722 174.7743 25 A 3.7883 8.6064 131.6865 55.7168 18.8429 179.6708 26 K 4.0748 8.0665 115.5344 57.7538 31.8614 180.3314 27 A 4.0172 7.7820 120.8989 52.8181 18.5395 178.2560 28 G 3.8803 8.8496 103.6001 45.2435 0.0000 172.7266 29 L 4.6085 6.7766 118.2920 54.5315 44.0545 174.5653 30 C 4.9469 8.5734 116.7653 56.4880 42.3579 173.2189 31 Q 4.8572 8.4023 120.9895 54.1984 33.0949 174.4884 32 T 5.0772 8.5451 110.5677 61.5549 70.6777 173.7360 33 F 5.0098 8.6924 116.3490 56.1061 41.9068 172.9147 34 V 4.4149 8.4803 120.1078 61.9570 32.4201 174.2077 35 Y 4.8108 8.8785 130.2535 56.2177 40.1307 176.6244 36 G 3.7827 8.3182 113.8817 46.7008 0.0000 174.9995 37 G 3.8251 6.2744 106.3269 45.3810 0.0000 172.0950 38 C 4.8604 7.0992 112.1553 54.6644 44.6436 173.0582 39 R 3.7757 8.7225 115.8296 57.1885 27.1918 176.9721 40 A 4.3743 8.2046 118.6115 52.3248 19.2486 178.0677 41 K 4.4033 8.2448 120.3292 54.6867 34.0220 177.3887 42 R 3.4958 8.1248 118.5587 59.0308 30.3312 177.7524 43 N 4.8485 7.8022 117.7826 51.4711 37.4133 173.9035 44 N 5.1475 6.9272 116.5870 52.5797 41.7052 173.1399 45 F 4.9706 9.5591 125.2447 55.4956 42.0765 176.6118 46 K 4.0721 9.0056 125.8649 58.1877 32.8396 177.2736 47 S 4.8133 8.0530 112.7140 56.0021 65.3080 174.4331 48 A 3.3930 7.9700 130.3659 54.6342 18.0404 179.2696 49 E 3.7404 7.6609 118.0598 59.6626 29.7001 178.8379 50 D 4.3053 7.9388 118.3736 57.2842 40.8623 179.1761 51 C 2.5130 7.5150 118.4943 59.3720 41.7133 175.5747 52 M 3.8759 7.7042 120.2324 58.3331 31.2983 178.8349 53 R 3.8106 7.5122 117.6844 59.5872 30.3371 178.4620 54 T 3.9942 7.6954 114.5469 66.4325 68.6528 175.4641 55 C 4.3352 7.7291 115.7110 57.0783 41.2214 174.1730 56 G 3.5984 7.8163 114.3026 45.5498 0.0000 173.2869 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 4.15 0.00 1.64 1.80 0.00 2.94 0.00 0.00 3.04 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 2 P 0.00 4.08 0.00 1.02 1.65 0.00 3.27 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 1.86 2.03 0.00 3 D 8.40 4.40 0.00 2.78 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 F 7.92 4.48 0.00 3.24 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 5 C 7.42 4.68 0.00 2.96 3.13 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 6 L 7.72 4.28 0.00 1.76 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 7.43 4.27 0.00 2.22 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 2.43 2.47 0.00 8 P 0.00 4.42 0.00 1.97 1.90 0.00 3.66 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 2.01 2.06 0.00 9 P 0.00 3.58 0.00 0.79 0.49 0.00 3.26 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.61 0.00 10 Y 7.70 4.61 0.00 2.75 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 11 T 8.29 4.21 4.12 0.00 0.00 0.00 0.00 0.00 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 12 G 6.84 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 0.00 0.00 0.00 13 P 0.00 4.33 0.00 2.17 2.19 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 14 C 7.71 4.48 0.00 2.78 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 15 K 8.31 4.23 0.00 1.68 1.78 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.33 7.81 16 A 7.91 4.24 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.51 0.00 1.60 1.81 0.00 3.33 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 18 I 8.20 4.43 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.02 0.92 0.00 0.00 19 I 8.18 4.28 1.74 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 1.23 0.39 0.57 0.00 0.00 20 R 8.25 4.52 0.00 0.67 1.55 0.00 3.27 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.40 0.00 21 Y 9.13 5.75 0.00 3.10 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 22 F 9.34 5.78 0.00 3.18 3.13 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 23 Y 9.87 4.46 0.00 3.12 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 24 N 8.17 4.74 0.00 2.37 2.49 0.00 0.00 6.65 7.95 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 25 A 8.61 3.79 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.07 0.00 1.79 1.74 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 27 A 7.78 4.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 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 0.00 0.00 0.00 29 L 6.78 4.61 0.00 1.67 1.71 0.81 0.60 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 30 C 8.57 4.95 0.00 2.83 3.08 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 0.00 0.00 0.00 0.00 31 Q 8.40 4.86 0.00 1.43 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 32 T 8.55 5.08 4.16 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 1.22 0.00 0.00 33 F 8.69 5.01 0.00 3.05 3.27 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 0.00 34 V 8.48 4.41 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 0.73 0.00 0.00 0.92 0.00 0.00 35 Y 8.88 4.81 0.00 2.56 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 36 G 8.32 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 0.00 0.00 0.00 37 G 6.27 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.10 4.86 0.00 3.05 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 39 R 8.72 3.78 0.00 2.41 2.23 0.00 3.33 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.00 40 A 8.20 4.37 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.24 4.40 0.00 1.74 1.68 0.00 1.61 0.00 0.00 1.44 0.00 0.00 2.70 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.09 1.12 7.81 42 R 8.12 3.50 0.00 1.26 0.66 0.00 2.21 0.00 0.00 2.70 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.31 0.00 43 N 7.80 4.85 0.00 3.18 2.89 0.00 0.00 6.68 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 6.93 5.15 0.00 2.68 2.55 0.00 0.00 7.09 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 9.56 4.97 0.00 3.35 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 46 K 9.01 4.07 0.00 1.78 1.93 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.50 7.81 47 S 8.05 4.81 0.00 3.94 3.91 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 48 A 7.97 3.39 0.54 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.66 3.74 0.00 1.95 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 2.25 2.29 0.00 50 D 7.94 4.31 0.00 3.00 2.85 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 51 C 7.51 2.51 0.00 2.68 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 52 M 7.70 3.88 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.47 0.00 53 R 7.51 3.81 0.00 1.75 1.86 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 54 T 7.70 3.99 4.16 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 1.51 0.00 0.00 55 C 7.73 4.34 0.00 2.50 1.82 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 0.00 0.00 0.00 0.00 56 G 7.82 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00