NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 84 V 4.1373 8.0549 120.3945 62.8052 31.5578 174.5357 85 T 4.1342 8.2245 122.6561 62.7085 70.0053 172.0409 86 L 5.0531 9.3049 127.6116 53.8739 43.9585 175.3409 87 F 5.2960 9.3480 122.4746 55.6819 42.3496 174.8560 88 V 4.9228 8.7423 121.1009 59.8523 34.3658 174.6252 89 A 4.6847 9.0060 125.9702 52.0681 18.8662 178.3731 90 L 3.9370 8.8750 123.7078 56.8149 42.4293 176.5208 91 Y 5.1402 7.5914 113.6057 56.0602 42.3941 174.8578 92 D 5.0019 8.9594 120.3768 54.9359 42.0766 175.6507 93 Y 4.7628 8.6028 122.2862 55.9809 42.5809 173.0357 94 E 4.7177 7.8293 126.6801 53.7760 31.5762 175.3692 95 A 4.5361 8.3720 129.2965 52.2204 19.0226 177.5045 96 W 5.1495 9.0766 113.2013 56.5631 31.1444 174.4259 97 T 4.4985 7.6135 116.2298 61.9513 70.8700 172.6942 98 E 4.2942 8.3928 117.8377 57.7319 30.5552 176.0771 99 D 5.0196 7.7017 117.7490 53.9986 42.7279 175.8801 100 D 5.2482 7.9389 118.2301 52.7720 41.0990 175.2680 101 L 4.9400 8.8203 122.2328 53.4914 44.0761 176.1141 102 S 4.7560 8.8935 122.4753 58.5789 64.0001 173.1765 103 F 5.0460 8.4656 117.8608 56.6545 41.7574 172.1353 104 H 5.4733 8.8944 115.0267 53.2119 33.1026 173.5839 105 K 3.9754 9.2909 121.8899 58.4484 32.1654 176.7259 106 G 4.1016 9.0335 115.1198 45.2123 0.0000 173.7074 107 E 4.0625 7.8212 119.2157 56.1837 30.6006 176.5074 108 K 5.0546 8.2722 121.1261 54.8106 35.8055 175.0874 109 F 5.3770 9.0468 120.0814 55.9201 43.6941 173.5404 110 Q 4.7943 8.9881 123.8357 55.0028 30.5754 174.5627 111 I 4.3902 7.8062 128.3805 60.6796 36.7410 175.8771 112 L 4.1741 8.7882 129.1665 57.1579 42.6215 177.5598 113 N 4.7052 7.8029 118.0320 52.0889 41.9004 175.1532 114 S 4.3102 8.2929 124.3007 57.8643 63.3432 174.5787 115 S 4.5905 8.1261 113.7529 59.5229 63.4406 173.8021 116 E 4.5500 8.2792 121.2014 55.9717 29.1381 175.1203 117 G 4.1999 8.0085 107.0043 45.4928 0.0000 175.0261 118 D 4.4947 7.6827 117.1768 53.9315 42.9597 175.9757 119 W 5.2292 8.0848 117.7696 54.8111 30.6991 175.8599 120 W 5.2813 9.0061 125.0034 54.7417 32.1280 174.6146 121 E 4.2706 8.9898 124.9694 55.8324 30.1924 175.3516 122 A 5.2657 8.6956 127.5338 50.1705 23.5585 174.2271 123 R 5.1145 8.8894 119.2780 54.5491 33.4232 174.4967 124 S 4.6120 9.3673 121.8435 57.5727 62.9726 174.8706 125 L 4.0521 8.6865 128.0684 58.0396 41.6004 179.2500 126 T 3.9612 8.0838 116.1164 66.4941 68.5679 176.1072 127 T 4.4077 7.6428 107.7797 60.6416 69.6929 174.6785 128 G 3.8889 8.0870 110.2199 46.9429 0.0000 173.0991 129 E 4.9363 8.0554 116.9292 54.3783 33.8057 175.1293 130 T 5.1089 8.7263 116.9472 61.3577 72.1218 173.9814 131 G 3.9929 7.9583 111.5480 46.4530 0.0000 171.1229 132 Y 4.8977 8.9787 119.0011 57.7916 39.0900 175.5091 133 I 5.1666 9.0843 116.3898 58.3241 41.5893 172.8886 134 P 3.7710 0.0000 0.0000 61.7941 32.2799 177.6133 135 S 2.9212 8.4738 117.4010 60.2395 62.8921 175.2065 136 N 4.6699 7.6519 116.5480 53.5106 37.4937 174.6891 137 Y 4.7668 7.7164 116.6207 58.3685 39.4466 175.5196 138 V 5.1254 7.3917 110.5863 59.4024 35.2143 174.8427 139 A 5.1428 8.7331 123.6924 49.2432 22.7346 173.9692 140 P 3.3255 0.0000 0.0000 62.4538 31.6862 176.9743 141 V 3.4733 8.1037 122.6032 65.6788 31.7482 175.8743 142 D 4.7291 7.8842 122.1199 54.8014 40.6217 173.5486 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 84 V 8.05 4.14 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 1.01 0.00 0.00 0.92 0.00 0.00 85 T 8.22 4.13 4.34 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 1.09 0.00 0.00 86 L 9.30 5.05 0.00 1.62 1.58 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 87 F 9.35 5.30 0.00 3.16 3.15 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 0.00 0.00 0.00 0.00 88 V 8.74 4.92 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 0.75 0.00 0.00 0.98 0.00 0.00 89 A 9.01 4.68 1.51 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 0.00 0.00 90 L 8.88 3.94 0.00 0.37 0.56 0.69 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 7.59 5.14 0.00 2.72 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 D 8.96 5.00 0.00 2.69 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 93 Y 8.60 4.76 0.00 2.67 1.43 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 0.00 0.00 0.00 0.00 94 E 7.83 4.72 0.00 1.83 1.57 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 2.08 2.17 0.00 95 A 8.37 4.54 1.26 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 0.00 0.00 96 W 9.08 5.15 0.00 3.53 3.01 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 97 T 7.61 4.50 3.71 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 0.82 0.00 0.00 98 E 8.39 4.29 0.00 2.01 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 2.08 2.18 0.00 99 D 7.70 5.02 0.00 2.50 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 0.00 100 D 7.94 5.25 0.00 3.09 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.82 4.94 0.00 1.81 1.87 1.08 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.89 4.76 0.00 3.85 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 0.00 103 F 8.47 5.05 0.00 3.33 3.47 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 0.00 104 H 8.89 5.47 0.00 3.12 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 9.29 3.98 0.00 1.93 1.84 0.00 1.88 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.46 7.81 106 G 9.03 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 0.00 0.00 0.00 0.00 107 E 7.82 4.06 0.00 1.55 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 108 K 8.27 5.05 0.00 1.59 1.65 0.00 1.57 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.38 7.81 109 F 9.05 5.38 0.00 2.99 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 0.00 110 Q 8.99 4.79 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 111 I 7.81 4.39 1.63 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 1.24 0.23 0.38 0.00 0.00 112 L 8.79 4.17 0.00 1.44 1.67 0.88 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.80 4.71 0.00 2.66 2.56 0.00 0.00 6.75 7.63 0.00 0.00 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 S 8.29 4.31 0.00 2.72 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 0.00 115 S 8.13 4.59 0.00 3.97 3.98 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 0.00 116 E 8.28 4.55 0.00 2.09 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 117 G 8.01 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 0.00 118 D 7.68 4.49 0.00 2.28 2.34 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 0.00 119 W 8.08 5.23 0.00 3.16 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 0.00 120 W 9.01 5.28 0.00 3.11 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 0.00 121 E 8.99 4.27 0.00 1.60 1.62 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 2.06 1.62 0.00 122 A 8.70 5.27 1.12 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 0.00 0.00 0.00 123 R 8.89 5.11 0.00 1.90 1.80 0.00 3.11 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 124 S 9.37 4.61 0.00 3.84 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 0.00 125 L 8.69 4.05 0.00 1.48 1.68 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.08 3.96 4.32 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 1.21 0.00 0.00 127 T 7.64 4.41 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 1.32 0.00 0.00 128 G 8.09 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 0.00 0.00 0.00 129 E 8.06 4.94 0.00 1.97 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 2.32 2.50 0.00 130 T 8.73 5.11 4.26 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 1.24 0.00 0.00 131 G 7.96 3.99 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 0.00 0.00 0.00 132 Y 8.98 4.90 0.00 2.84 3.15 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 0.00 0.00 0.00 0.00 133 I 9.08 5.17 1.64 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.54 0.78 0.00 0.00 134 P 0.00 3.77 0.00 1.70 0.76 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.52 0.00 135 S 8.47 2.92 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 N 7.65 4.67 0.00 2.86 2.87 0.00 0.00 5.96 7.55 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 0.00 137 Y 7.72 4.77 0.00 3.01 3.28 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 0.00 138 V 7.39 5.13 2.29 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 0.41 0.00 0.00 0.78 0.00 0.00 139 A 8.73 5.14 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 0.00 140 P 0.00 3.33 0.00 1.75 1.41 0.00 3.79 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 1.87 1.90 0.00 141 V 8.10 3.47 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 0.73 0.00 0.00 0.89 0.00 0.00 142 D 7.88 4.73 0.00 2.82 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00