NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 64 R 4.3006 8.2549 117.2810 55.3244 30.7913 175.1181 65 K 3.8323 8.5637 120.8677 55.2752 32.4827 174.6128 66 P 4.2310 0.0000 0.0000 62.3624 32.6788 174.0033 67 P 4.4826 0.0000 0.0000 62.5752 32.1399 175.3544 68 D 4.9705 8.3835 120.2337 52.7213 44.0770 174.9147 69 A 4.5333 8.2931 123.2177 52.2000 21.9508 175.3582 70 D 4.4431 8.7412 117.1912 55.2812 38.4070 174.5734 71 G 4.1974 7.9342 105.4667 46.0317 0.0000 173.3876 72 C 4.9721 8.6681 114.4759 56.5066 33.6536 172.7691 73 L 4.7538 8.3487 120.6005 53.9185 40.9162 176.2741 74 H 4.3365 8.9576 124.2226 55.7424 30.6001 176.0919 75 A 4.0477 8.4237 126.6577 54.7706 18.6287 177.2604 76 D 4.6962 7.9345 114.8809 52.1784 41.1715 175.1256 77 P 4.3294 0.0000 0.0000 65.7824 31.3238 178.3174 78 D 4.3625 8.6942 118.7530 56.8807 40.7779 177.4318 79 L 4.1487 8.0157 117.9668 54.7054 43.0008 179.2826 80 G 3.6883 7.5498 108.0107 46.1377 0.0000 172.8848 81 V 4.3445 8.3665 123.2891 62.6598 32.4407 176.1918 82 L 4.7820 9.1540 128.2229 53.6226 43.7428 175.3895 83 C 5.1861 8.3793 118.8432 56.8883 32.1553 172.1980 84 P 4.1947 0.0000 0.0000 63.4742 31.5753 177.2780 85 T 4.3547 8.3472 112.8642 61.0502 71.1175 175.8982 86 G 3.6786 8.5439 107.3079 47.9461 0.0000 175.7313 87 C 4.1607 7.9797 118.5213 62.7794 28.2726 176.0991 88 K 4.0127 7.8637 119.8400 59.4204 31.6036 179.4911 89 L 4.0113 7.9825 119.3817 57.6475 41.4242 179.3155 90 Q 3.9289 8.2962 119.6480 59.2835 29.0291 177.9367 91 D 4.3550 8.0571 119.8638 57.7422 40.9379 178.9259 92 T 3.8533 7.8808 115.9837 66.8264 68.4322 176.6851 93 L 4.0072 7.8979 120.7441 57.6949 41.2989 179.7193 94 V 3.5734 8.0519 118.4602 66.1765 31.2470 178.3833 95 R 3.9455 7.8590 116.7271 59.0500 30.0229 178.6525 96 Q 4.1557 8.0847 117.9662 58.5739 28.7408 177.8579 97 E 3.9349 8.4249 120.6188 59.2922 29.5966 178.9944 98 R 3.9210 7.5291 118.0515 58.9406 30.1626 177.3847 99 P 4.3264 0.0000 0.0000 65.6417 31.3498 178.5408 100 I 3.6743 7.4877 119.7952 64.5177 37.1054 178.6055 101 R 3.9543 8.2628 119.1828 59.0675 29.7524 179.1404 102 K 4.0032 8.1520 119.6229 59.4931 32.1913 179.1489 103 S 4.1196 8.3860 115.8289 61.5957 62.6625 176.7656 104 I 3.7842 7.7878 122.5961 64.2909 36.8520 178.3216 105 E 3.9728 8.2491 119.5658 59.4598 29.2709 179.0702 106 D 4.3859 8.3727 119.1554 57.4009 40.8567 178.9201 107 L 4.0174 8.0045 119.4696 57.7786 41.6295 179.6710 108 R 3.9332 8.1793 118.1238 59.4559 30.1269 178.9197 109 N 4.4648 8.3385 116.4810 56.3274 38.2802 177.6364 110 T 3.8806 7.7382 110.5613 64.7231 68.9207 176.5830 111 V 3.7145 7.6988 120.1504 65.8626 31.8513 177.6557 112 D 4.5591 8.6471 118.3076 56.5693 40.2711 177.6498 113 S 4.7734 7.5533 114.6643 58.4229 63.0306 174.2576 114 V 3.9943 7.4635 127.9155 63.1837 31.6728 174.8772 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 64 R 8.25 4.30 0.00 1.91 2.00 0.00 3.06 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 65 K 8.56 3.83 0.00 1.85 1.80 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.52 7.81 66 P 0.00 4.23 0.00 2.03 2.02 0.00 3.67 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 2.03 2.10 0.00 67 P 0.00 4.48 0.00 2.17 2.05 0.00 3.70 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 1.98 1.98 0.00 68 D 8.38 4.97 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.29 4.53 1.19 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 0.00 0.00 70 D 8.74 4.44 0.00 2.84 2.77 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 71 G 7.93 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 0.00 0.00 0.00 0.00 72 C 8.67 4.97 0.00 2.97 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.35 4.75 0.00 1.55 1.66 0.92 1.07 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 74 H 8.96 4.34 0.00 3.24 3.16 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.42 4.05 1.23 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 0.00 0.00 76 D 7.93 4.70 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.26 2.32 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 78 D 8.69 4.36 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 79 L 8.02 4.15 0.00 1.62 1.62 0.64 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.55 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 81 V 8.37 4.34 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 0.81 0.00 0.00 0.94 0.00 0.00 82 L 9.15 4.78 0.00 1.60 1.56 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 83 C 8.38 5.19 0.00 2.80 2.78 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 84 P 0.00 4.19 0.00 2.03 2.01 0.00 3.68 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 2.03 2.10 0.00 85 T 8.35 4.35 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 86 G 8.54 3.68 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 0.00 0.00 0.00 87 C 7.98 4.16 0.00 2.98 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 88 K 7.86 4.01 0.00 1.86 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.62 7.81 89 L 7.98 4.01 0.00 1.84 1.71 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 8.30 3.93 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 91 D 8.06 4.35 0.00 2.93 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 92 T 7.88 3.85 4.42 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 0.00 0.00 0.00 1.25 0.00 0.00 93 L 7.90 4.01 0.00 1.71 1.71 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.05 3.57 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 1.03 0.00 0.00 0.96 0.00 0.00 95 R 7.86 3.95 0.00 1.84 1.97 0.00 3.21 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 96 Q 8.08 4.16 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 97 E 8.42 3.93 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 98 R 7.53 3.92 0.00 1.76 1.96 0.00 3.18 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 99 P 0.00 4.33 0.00 2.26 2.31 0.00 3.88 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 2.24 2.05 0.00 100 I 7.49 3.67 2.06 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 1.62 1.04 0.91 0.00 0.00 101 R 8.26 3.95 0.00 1.80 1.98 0.00 3.28 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 102 K 8.15 4.00 0.00 1.94 1.80 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 103 S 8.39 4.12 0.00 4.07 3.90 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 0.00 104 I 7.79 3.78 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 1.52 0.70 0.91 0.00 0.00 105 E 8.25 3.97 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 106 D 8.37 4.39 0.00 2.85 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 0.00 107 L 8.00 4.02 0.00 1.86 1.71 0.92 0.93 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 0.00 108 R 8.18 3.93 0.00 2.03 1.98 0.00 3.26 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 109 N 8.34 4.46 0.00 2.88 2.86 0.00 0.00 6.79 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.74 3.88 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 1.26 0.00 0.00 111 V 7.70 3.71 2.20 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 0.85 0.00 0.00 0.93 0.00 0.00 112 D 8.65 4.56 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.55 4.77 0.00 4.06 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 0.00 114 V 7.46 3.99 2.20 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 0.75 0.00 0.00 0.97 0.00 0.00