NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 76 R 4.3037 8.2549 120.8608 56.0358 31.1355 177.9010 77 I 4.3728 8.3621 115.4418 58.2099 39.6654 173.0716 78 C 4.3279 9.4772 126.7801 58.1230 33.2365 171.7159 79 P 4.7025 0.0000 0.0000 61.6841 30.9490 174.6755 80 F 4.7295 8.2583 119.5537 57.7204 41.4630 175.8993 81 T 4.4181 6.7365 120.0092 63.6048 73.8164 173.9208 82 G 4.6594 6.0991 113.8027 45.3481 0.0000 173.8634 83 K 3.9925 9.4875 131.8221 55.8211 37.9303 175.9119 84 K 4.3335 10.5163 118.6347 57.0467 31.4349 175.5743 85 S 4.6285 7.5745 109.0320 59.5440 69.2325 173.8172 86 N 4.7262 7.8632 116.2478 53.0901 41.4303 174.2104 87 R 4.1902 9.6621 123.4557 56.4917 28.0656 177.6240 88 A 5.0030 8.7804 123.1860 50.7607 22.5449 176.0231 89 N 4.3319 8.8183 112.6917 54.7761 39.5764 175.9760 90 K 4.6847 8.3037 117.4077 55.3746 34.0172 175.7945 91 V 3.6160 7.3053 112.8561 61.2060 33.5389 177.1831 92 S 5.0568 8.3970 116.8955 57.3129 65.9472 170.8075 93 H 5.8009 8.4702 114.6642 53.8708 32.7308 171.9692 94 S 4.7206 8.4171 111.8713 57.7073 65.4287 174.4718 95 N 4.8322 8.4575 115.4725 54.2579 41.1958 174.5022 96 H 3.9347 7.0372 111.0551 59.6977 29.2234 175.2770 97 K 4.5867 7.4485 119.1439 55.9146 34.2337 176.1005 98 T 4.2041 7.4176 110.3487 60.9766 69.7754 171.8024 99 K 4.9774 8.5554 126.5515 54.8909 34.2649 175.8358 100 K 4.6775 8.3589 122.8419 54.3892 37.0675 175.6289 101 L 3.9046 8.6163 123.5083 54.9090 41.9217 175.8947 102 Q 4.3019 8.6813 126.6924 54.8499 30.6391 175.0760 103 F 4.5617 8.8133 129.6726 57.6496 37.7554 175.2212 104 V 3.9064 7.7106 116.2477 60.4008 33.2250 175.9614 105 N 5.0151 8.0686 119.1753 52.2362 40.1250 173.8603 106 L 4.7770 7.9839 120.5996 55.1779 44.2462 176.6205 107 Q 4.3076 8.3534 121.7545 54.1829 28.3157 174.2341 108 Y 3.8980 7.7800 117.3464 57.6243 38.8104 179.0777 109 K 4.3214 9.2907 120.0517 55.7926 31.9533 174.3847 110 R 4.7067 7.8743 114.3557 55.3252 32.2586 173.9384 111 I 4.8541 7.9747 117.5654 59.4613 41.1847 174.7599 112 W 4.9148 8.9422 135.0000 55.9105 32.3538 175.5279 113 W 4.7840 8.4229 135.0000 57.1268 32.8323 172.8318 114 E 4.2128 8.9567 126.3953 57.3662 31.2690 175.1114 115 A 4.0919 7.4427 120.7101 53.5982 19.0888 177.0851 116 G 4.4420 9.4813 110.9588 45.7673 0.0000 173.2372 117 K 4.4512 7.6152 118.2086 57.4379 36.5189 174.1430 118 R 4.5647 8.5766 118.9044 54.3980 31.9747 175.8945 119 Y 4.3364 7.8316 122.6315 58.4024 38.8852 176.1673 120 V 3.8514 7.9862 127.0067 61.1809 34.1826 175.5070 121 K 4.2776 8.0220 131.6105 55.2802 30.5302 174.2152 122 L 3.9402 7.8796 121.9120 54.4287 42.8682 176.6638 123 R 4.3617 8.2691 125.1957 54.5849 29.0803 178.3943 124 L 4.2696 7.3399 127.3377 54.3087 43.1033 177.5266 125 S 5.0186 8.0125 108.7914 59.9373 62.9957 174.0112 126 T 3.8001 8.1243 108.3283 63.4875 65.9589 171.8074 127 K 4.5633 7.9397 113.2813 55.7847 34.2270 176.1018 128 A 4.6679 7.7195 120.3825 51.8238 19.0920 177.9287 129 I 3.6690 7.7878 118.9005 63.7272 37.2955 177.4162 130 K 4.2502 7.8983 117.4968 56.8931 32.7004 176.3969 131 T 4.6669 8.0554 112.0224 61.9786 68.3089 174.2761 132 I 4.4122 7.7962 119.7257 60.5950 39.9309 175.6751 133 E 3.7908 7.5369 114.4816 55.1183 29.9252 176.1264 134 K 4.1409 7.1812 120.5793 58.1204 33.1749 179.5322 135 N 4.6620 7.6270 120.3459 52.5520 38.6436 175.0676 136 G 3.9198 8.3244 105.8051 46.2773 0.0000 175.1569 137 L 4.0227 7.7762 124.5823 57.7316 42.2631 176.5095 138 D 4.4773 7.7807 113.3291 54.6320 46.7958 175.6255 139 A 4.1600 8.1852 121.6756 55.5074 18.1762 177.7589 140 V 3.6369 7.6017 115.3557 62.2801 30.0077 174.0928 141 A 4.5950 8.7561 128.7601 51.6849 17.6707 176.4100 142 K 4.6340 8.1896 120.1849 55.5650 34.8782 175.5029 143 K 3.8639 8.4174 121.9887 58.4116 31.7054 178.5294 144 A 4.1424 8.1146 126.1019 52.2932 19.9603 176.2669 145 G 3.7809 8.5637 104.5255 43.5747 0.0000 173.2752 146 I 3.8424 8.0041 120.0935 60.3205 38.5084 175.1531 147 D 4.4486 8.4644 122.3334 54.2948 41.2557 177.0753 148 L 4.0138 8.7107 124.1035 58.2987 42.1216 178.0442 149 S 4.2844 7.7526 110.9985 57.6145 63.1019 173.8486 150 K 3.9011 8.6255 124.8727 58.8701 32.5930 176.8486 151 K 4.1129 7.9650 123.8508 56.3888 33.0571 174.5414 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 76 R 8.25 4.30 0.00 1.79 1.12 0.00 3.16 0.00 0.00 3.24 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 77 I 8.36 4.37 1.90 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 1.32 0.68 1.06 0.00 0.00 78 C 9.48 4.33 0.00 2.94 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 79 P 0.00 4.70 0.00 2.04 1.98 0.00 3.72 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.02 0.00 80 F 8.26 4.73 0.00 2.97 2.83 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 81 T 6.74 4.42 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 82 G 6.10 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.49 3.99 0.00 1.77 1.25 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.21 1.33 7.81 84 K 10.52 4.33 0.00 1.86 1.95 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.26 1.30 7.81 85 S 7.57 4.63 0.00 3.72 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 86 N 7.86 4.73 0.00 2.70 2.72 0.00 0.00 6.83 7.65 0.00 0.00 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 R 9.66 4.19 0.00 1.76 1.46 0.00 3.30 0.00 0.00 3.26 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 88 A 8.78 5.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.82 4.33 0.00 2.83 2.91 0.00 0.00 6.58 7.61 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 90 K 8.30 4.68 0.00 1.75 1.72 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.54 7.81 91 V 7.31 3.62 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 0.87 0.00 0.00 0.98 0.00 0.00 92 S 8.40 5.06 0.00 3.89 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 0.00 93 H 8.47 5.80 0.00 2.96 3.26 0.00 5.94 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.42 4.72 0.00 3.74 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.46 4.83 0.00 2.67 2.75 0.00 0.00 6.93 7.89 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 96 H 7.04 3.93 0.00 3.22 3.23 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.45 4.59 0.00 1.71 1.79 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.41 7.81 98 T 7.42 4.20 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 1.22 0.00 0.00 99 K 8.56 4.98 0.00 1.81 1.81 0.00 1.21 0.00 0.00 1.80 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.31 7.81 100 K 8.36 4.68 0.00 1.67 1.67 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.47 7.81 101 L 8.62 3.90 0.00 1.48 1.58 0.97 0.92 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 0.00 102 Q 8.68 4.30 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.06 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 103 F 8.81 4.56 0.00 2.98 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 0.00 104 V 7.71 3.91 1.99 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 0.77 0.00 0.00 0.88 0.00 0.00 105 N 8.07 5.02 0.00 2.58 2.57 0.00 0.00 6.69 7.85 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 0.00 106 L 7.98 4.78 0.00 1.69 1.57 1.03 0.53 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 0.00 107 Q 8.35 4.31 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.03 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 108 Y 7.78 3.90 0.00 2.96 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 0.00 109 K 9.29 4.32 0.00 1.90 1.85 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.36 7.81 110 R 7.87 4.71 0.00 1.84 1.78 0.00 3.07 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 111 I 7.97 4.85 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.96 1.13 0.00 0.00 112 W 8.94 4.91 0.00 3.53 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 0.00 113 W 8.42 4.78 0.00 3.59 2.89 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 0.00 114 E 8.96 4.21 0.00 2.29 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 2.35 2.35 0.00 115 A 7.44 4.09 1.02 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 0.00 0.00 0.00 0.00 0.00 116 G 9.48 4.44 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 0.00 117 K 7.62 4.45 0.00 1.91 1.81 0.00 1.62 0.00 0.00 2.15 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.65 1.49 7.81 118 R 8.58 4.56 0.00 1.80 1.87 0.00 3.35 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 119 Y 7.83 4.34 0.00 2.79 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 0.00 120 V 7.99 3.85 2.04 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 0.67 0.00 0.00 0.92 0.00 0.00 121 K 8.02 4.28 0.00 1.50 1.52 0.00 1.90 0.00 0.00 1.77 0.00 0.00 2.64 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.53 7.81 122 L 7.88 3.94 0.00 1.54 1.51 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.27 4.36 0.00 1.58 1.18 0.00 3.27 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.78 0.00 124 L 7.34 4.27 0.00 1.61 1.44 0.81 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.01 5.02 0.00 3.96 4.02 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 0.00 0.00 0.00 126 T 8.12 3.80 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 1.26 0.00 0.00 127 K 7.94 4.56 0.00 1.80 1.80 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.34 7.81 128 A 7.72 4.67 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 0.00 129 I 7.79 3.67 1.87 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 1.45 0.80 0.97 0.00 0.00 130 K 7.90 4.25 0.00 1.85 1.89 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.39 7.81 131 T 8.06 4.67 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 1.22 0.00 0.00 132 I 7.80 4.41 1.74 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 1.61 0.96 0.72 0.00 0.00 133 E 7.54 3.79 0.00 2.07 1.70 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 2.36 2.25 0.00 134 K 7.18 4.14 0.00 1.73 1.81 0.00 1.79 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.43 7.81 135 N 7.63 4.66 0.00 2.83 2.84 0.00 0.00 5.97 7.00 0.00 0.00 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 G 8.32 3.92 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 0.00 0.00 0.00 137 L 7.78 4.02 0.00 1.88 1.66 0.83 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 138 D 7.78 4.48 0.00 2.44 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 0.00 0.00 0.00 0.00 139 A 8.19 4.16 1.39 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 0.00 0.00 140 V 7.60 3.64 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 0.83 0.00 0.00 0.95 0.00 0.00 141 A 8.76 4.60 1.36 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 0.00 0.00 0.00 0.00 0.00 142 K 8.19 4.63 0.00 1.86 1.80 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.37 7.81 143 K 8.42 3.86 0.00 1.76 1.70 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.51 7.81 144 A 8.11 4.14 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 0.00 145 G 8.56 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 0.00 146 I 8.00 3.84 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 1.40 0.72 0.90 0.00 0.00 147 D 8.46 4.45 0.00 2.68 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 0.00 148 L 8.71 4.01 0.00 1.59 1.70 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 149 S 7.75 4.28 0.00 3.82 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 0.00 150 K 8.63 3.90 0.00 1.85 1.86 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.35 1.39 7.81 151 K 7.97 4.11 0.00 1.86 1.78 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.46 7.81