NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 46 A 4.2574 8.2644 123.5769 52.0205 19.9920 175.8664 47 T 3.7559 8.4047 108.4115 60.8399 67.9230 172.5031 48 E 3.9117 9.0826 125.8997 59.5096 30.0632 178.9891 49 L 3.8944 7.9120 120.9500 58.1993 42.2466 178.5100 50 V 3.4925 7.7414 118.0392 66.5031 31.3057 177.8331 51 N 4.3298 8.0247 115.2505 56.1464 38.3688 177.4863 52 K 4.0027 7.8317 119.6084 59.1659 32.0987 179.5369 53 I 3.0470 7.6052 120.1245 64.2370 36.9711 178.3239 54 S 4.1079 7.9245 115.9264 61.8161 62.6861 176.8000 55 E 3.9508 8.2694 120.8143 59.5270 29.0963 179.0717 56 N 4.4068 8.2815 116.3795 56.8814 38.7059 176.9910 57 C 4.3908 8.9485 118.1021 59.6505 34.4413 175.8843 58 F 4.0394 8.7664 122.9012 61.5297 38.7975 176.9869 59 E 4.0742 8.3821 116.6930 59.1209 29.3528 178.8438 60 K 4.3151 7.7414 116.3269 57.1808 32.7258 176.6750 61 C 4.8185 8.0456 114.6114 56.5943 42.0362 173.6469 62 L 4.8581 7.3483 117.4659 53.1617 45.2573 175.7137 63 T 4.2909 7.3839 115.2147 61.3287 72.5771 173.6558 64 S 3.5634 7.7418 118.2965 58.0104 62.7286 172.3902 65 P 4.5742 0.0000 0.0000 62.7629 31.5268 175.2321 66 Y 3.5621 7.3190 115.1464 59.6505 35.3725 170.4113 67 A 4.4011 8.2042 123.5837 53.4527 20.1668 178.4418 68 T 4.3794 7.6644 112.5982 62.1799 69.5008 174.6522 69 R 4.3413 8.3350 126.6843 55.9835 32.0840 175.6076 70 N 5.0480 8.1038 118.3469 51.6496 39.2645 175.1633 71 D 4.4160 8.0566 121.0981 57.3537 41.2900 178.3788 72 A 3.9935 8.0095 121.0825 55.3583 18.2737 180.0374 73 C 4.2553 8.2870 116.5702 59.6875 39.3202 175.8505 74 I 3.6733 7.6072 120.9727 64.4393 36.7698 177.7861 75 D 4.3612 8.1997 119.6704 57.5366 40.6480 178.9221 76 Q 3.9862 7.8156 118.1502 59.2199 28.7079 178.0053 77 C 4.2022 8.4350 119.6174 59.6658 44.3199 175.2355 78 L 3.9245 8.5585 121.7542 58.1941 41.6825 178.5180 79 A 4.0162 8.0993 120.5260 55.4076 18.3902 179.4411 80 K 3.8900 8.7789 118.1552 59.7996 32.1619 178.3206 81 Y 3.9142 8.3826 120.1307 61.0479 38.7901 177.9762 82 M 4.2609 8.3969 119.6520 58.4484 32.1143 178.9149 83 R 4.0270 8.1272 118.3463 59.4165 30.1878 179.3180 84 S 4.1214 7.9055 114.5692 61.0702 62.6865 176.3960 85 W 3.9225 8.1862 131.1301 60.4960 30.4856 177.6036 86 N 4.5575 8.4320 116.3606 56.6358 38.0132 177.5148 87 V 3.6049 7.6636 118.8948 66.0504 31.5670 178.1932 88 I 3.6541 7.7341 119.8122 64.2869 36.9061 178.5409 89 S 4.0086 7.9697 115.4706 61.0657 62.6378 176.5393 90 K 3.8704 8.1956 122.9476 59.2893 31.8221 178.5730 91 A 3.9817 7.8889 119.7242 55.2898 18.6717 178.7009 92 Y 4.1817 8.4211 118.2451 61.1005 38.9665 178.4365 93 I 3.5865 7.9889 120.8131 64.1968 36.9885 178.0930 94 S 4.3584 7.8212 112.6684 59.6336 62.4981 174.5024 95 R 4.5300 7.5908 120.4491 55.6460 31.1219 175.0336 96 I 4.0332 7.3493 109.4040 61.7846 37.9576 176.3265 97 Q 4.4686 8.1277 120.5961 57.7526 30.4153 175.3220 98 N 4.9916 7.6160 114.8730 51.2059 38.4948 179.7213 99 A 4.2265 7.8153 127.0860 52.7274 18.6520 177.8989 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 46 A 8.26 4.26 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 47 T 8.40 3.76 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 1.19 0.00 0.00 48 E 9.08 3.91 0.00 2.23 2.25 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 2.40 2.45 0.00 49 L 7.91 3.89 0.00 1.81 1.69 1.06 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.74 3.49 2.13 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 0.92 0.00 0.00 0.88 0.00 0.00 51 N 8.02 4.33 0.00 2.88 2.80 0.00 0.00 7.11 7.88 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 52 K 7.83 4.00 0.00 2.03 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 53 I 7.61 3.05 1.73 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.47 0.59 0.00 0.00 54 S 7.92 4.11 0.00 4.00 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 55 E 8.27 3.95 0.00 2.18 2.02 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 2.27 2.52 0.00 56 N 8.28 4.41 0.00 3.01 3.03 0.00 0.00 7.13 7.24 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 57 C 8.95 4.39 0.00 3.04 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 58 F 8.77 4.04 0.00 3.25 3.24 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 0.00 59 E 8.38 4.07 0.00 2.21 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 0.00 2.54 2.81 0.00 60 K 7.74 4.32 0.00 1.72 1.87 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.78 7.81 61 C 8.05 4.82 0.00 3.02 3.07 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 0.00 0.00 0.00 62 L 7.35 4.86 0.00 1.06 1.33 0.88 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.38 4.29 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 64 S 7.74 3.56 0.00 3.85 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.57 0.00 2.25 2.14 0.00 3.80 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 66 Y 7.32 3.56 0.00 3.24 3.19 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 67 A 8.20 4.40 1.29 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 0.00 0.00 0.00 68 T 7.66 4.38 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 1.20 0.00 0.00 69 R 8.33 4.34 0.00 1.79 1.83 0.00 3.24 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 70 N 8.10 5.05 0.00 2.75 2.60 0.00 0.00 6.95 8.49 0.00 0.00 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 D 8.06 4.42 0.00 2.76 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 72 A 8.01 3.99 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 73 C 8.29 4.26 0.00 3.14 3.26 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 74 I 7.61 3.67 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.77 0.93 0.00 0.00 75 D 8.20 4.36 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.82 3.99 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 77 C 8.43 4.20 0.00 3.13 3.31 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 0.00 78 L 8.56 3.92 0.00 1.74 1.93 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.10 4.02 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 80 K 8.78 3.89 0.00 2.05 2.00 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 81 Y 8.38 3.91 0.00 3.33 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 M 8.40 4.26 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.99 0.00 83 R 8.13 4.03 0.00 2.06 2.01 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 84 S 7.91 4.12 0.00 3.86 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 85 W 8.19 3.92 0.00 3.55 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.43 4.56 0.00 3.12 2.97 0.00 0.00 6.72 7.71 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 87 V 7.66 3.60 2.22 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 1.09 0.00 0.00 0.97 0.00 0.00 88 I 7.73 3.65 1.62 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.29 0.67 0.00 0.00 89 S 7.97 4.01 0.00 3.70 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.20 3.87 0.00 1.87 2.08 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.46 7.81 91 A 7.89 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 92 Y 8.42 4.18 0.00 2.98 3.07 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 0.00 0.00 0.00 93 I 7.99 3.59 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.79 0.88 0.00 0.00 94 S 7.82 4.36 0.00 3.95 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 95 R 7.59 4.53 0.00 1.95 1.66 0.00 3.18 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 96 I 7.35 4.03 1.69 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.63 0.34 0.00 0.00 97 Q 8.13 4.47 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.51 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 98 N 7.62 4.99 0.00 2.69 2.62 0.00 0.00 6.95 7.21 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 99 A 7.82 4.23 1.20 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