NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 Y 4.1423 8.1449 118.2205 57.7829 39.3261 173.3512 32 F 4.9152 7.7249 118.7317 55.1865 41.3353 173.7806 33 L 5.0472 8.6406 125.9443 53.8074 45.9076 173.4240 34 D 4.9924 9.0595 126.2536 53.0467 43.0936 175.4931 35 V 4.9088 8.7172 117.8719 58.3833 36.0645 174.5945 36 K 5.0726 8.4023 121.0360 54.6657 36.2160 175.6580 37 C 4.5688 9.2045 123.4704 59.4668 28.6192 173.1386 38 P 4.1769 0.0000 0.0000 65.7518 31.4478 178.2851 39 G 3.7167 8.1138 105.3145 48.8909 0.0000 174.7496 40 C 4.1444 8.0615 118.3612 60.5171 28.3457 175.2936 41 L 3.5158 7.8041 116.2391 55.2727 39.4906 173.7451 42 N 4.9676 7.3864 115.0066 52.0939 41.1905 173.7621 43 I 4.9125 8.1357 120.8449 60.2249 39.5008 175.1897 44 T 4.8643 8.8028 114.9715 60.7081 72.9537 172.3942 45 T 4.9442 8.4912 111.8385 60.0351 70.5467 173.3741 46 V 4.9013 8.2420 124.9588 60.7904 34.9454 174.8511 47 F 4.8929 9.5484 119.5836 55.4998 39.4059 175.4903 48 S 4.3653 8.6463 116.7982 59.6036 64.2839 173.9466 49 H 4.0227 9.0073 118.7786 55.7854 25.5371 173.7177 50 A 3.9089 6.9223 121.7665 51.2668 19.8270 178.3004 51 Q 4.0436 8.4818 118.6028 58.5873 28.9767 176.5893 52 T 4.6944 7.2690 104.7684 59.1332 71.8149 173.6966 53 A 4.1499 8.4477 123.2670 51.9778 19.5022 177.0473 54 V 4.3497 8.2429 120.9031 61.4166 33.4531 174.6094 55 T 5.0480 8.4180 118.6160 59.9733 70.6473 174.2571 56 C 4.3361 8.5125 120.5267 58.3798 29.6639 174.0160 57 E 4.1464 9.0094 122.7495 59.0337 29.6891 178.4392 58 S 4.2999 8.2788 112.9166 60.8831 63.0785 174.0587 59 C 4.9557 7.5615 115.7266 57.1124 31.9803 174.8363 60 S 4.4616 8.5169 115.9721 58.4343 61.9969 174.1049 61 T 4.6562 7.5917 110.5982 61.1823 71.5343 174.3287 62 I 4.4531 8.1416 115.9370 60.1578 38.7106 176.1719 63 L 4.8174 8.2420 124.7141 53.9641 44.8174 178.0712 64 C 4.3036 8.9750 124.7564 61.6078 28.8341 172.3464 65 T 4.5249 8.2020 111.4573 60.5250 71.4031 173.0155 66 P 4.2795 0.0000 0.0000 62.1771 31.1462 176.5391 67 T 3.5726 8.3591 107.7404 60.0044 70.0582 173.4037 68 G 3.8088 8.4963 104.5617 44.1820 0.0000 173.4539 69 G 3.9452 7.9437 109.3000 45.7343 0.0000 171.4418 70 K 3.7608 8.5596 114.2245 56.6643 28.7768 174.2845 71 A 4.4534 7.4691 121.5003 50.6672 19.7531 176.1924 72 K 4.7068 7.6901 121.1012 55.6620 35.2570 177.0861 73 L 4.3972 8.3535 129.9665 55.3253 45.4808 174.1169 74 S 4.6466 7.8735 109.7907 57.4917 63.0932 172.9535 75 E 4.7654 7.7653 118.7689 55.7664 34.2636 175.0987 76 G 4.3274 8.8135 106.3562 43.6367 0.0000 173.0907 77 T 4.1253 7.2363 107.4616 62.1144 72.1745 169.4173 78 S 4.3836 7.1968 114.4604 57.3101 65.5003 173.0815 79 F 5.0724 8.0570 118.0333 57.6486 39.7868 175.5695 80 R 4.2434 8.8414 122.6777 56.6512 29.9289 176.0679 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 31 Y 8.14 4.14 0.00 2.77 2.55 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 0.00 0.00 0.00 0.00 32 F 7.72 4.92 0.00 3.16 2.93 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 33 L 8.64 5.05 0.00 2.05 1.80 1.13 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 D 9.06 4.99 0.00 2.95 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.72 4.91 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.09 0.00 0.00 36 K 8.40 5.07 0.00 1.81 1.65 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.39 7.81 37 C 9.20 4.57 0.00 2.85 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 38 P 0.00 4.18 0.00 2.04 2.10 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 39 G 8.11 3.72 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 0.00 0.00 0.00 40 C 8.06 4.14 0.00 3.01 2.99 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 0.00 0.00 0.00 41 L 7.80 3.52 0.00 1.85 1.81 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.39 4.97 0.00 2.66 2.73 0.00 0.00 6.89 7.37 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 43 I 8.14 4.91 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 1.41 0.57 0.99 0.00 0.00 44 T 8.80 4.86 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 45 T 8.49 4.94 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 46 V 8.24 4.90 2.19 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 0.94 0.00 0.00 1.02 0.00 0.00 47 F 9.55 4.89 0.00 3.14 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.65 4.37 0.00 4.19 4.13 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 49 H 9.01 4.02 0.00 3.27 3.32 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 6.92 3.91 -0.04 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 0.00 0.00 51 Q 8.48 4.04 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 52 T 7.27 4.69 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 1.22 0.00 0.00 53 A 8.45 4.15 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.24 4.35 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 1.01 0.00 0.00 0.87 0.00 0.00 55 T 8.42 5.05 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 1.21 0.00 0.00 56 C 8.51 4.34 0.00 3.11 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 57 E 9.01 4.15 0.00 2.00 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 2.33 2.32 0.00 58 S 8.28 4.30 0.00 3.98 4.13 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 59 C 7.56 4.96 0.00 2.92 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.52 4.46 0.00 3.98 3.96 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 61 T 7.59 4.66 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 62 I 8.14 4.45 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 1.34 0.59 0.90 0.00 0.00 63 L 8.24 4.82 0.00 1.61 1.35 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.98 4.30 0.00 2.80 2.99 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 0.00 0.00 0.00 65 T 8.20 4.52 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 66 P 0.00 4.28 0.00 2.28 2.05 0.00 3.37 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 2.04 2.11 0.00 67 T 8.36 3.57 4.21 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 0.00 0.00 0.00 1.17 0.00 0.00 68 G 8.50 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.94 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 70 K 8.56 3.76 0.00 1.85 1.84 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.44 7.81 71 A 7.47 4.45 1.25 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 0.00 0.00 72 K 7.69 4.71 0.00 1.48 1.15 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.44 7.81 73 L 8.35 4.40 0.00 1.46 1.54 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.87 4.65 0.00 3.91 3.82 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 75 E 7.77 4.77 0.00 1.93 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 2.21 2.30 0.00 76 G 8.81 4.33 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 0.00 77 T 7.24 4.13 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 78 S 7.20 4.38 0.00 3.88 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 79 F 8.06 5.07 0.00 3.22 3.10 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 80 R 8.84 4.24 0.00 1.90 1.96 0.00 3.27 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00