NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.3365 8.1627 120.6116 55.5043 33.9844 174.0640 102 L 4.9401 8.3938 127.2963 51.8884 42.5854 173.5482 103 I 4.5829 8.1174 119.7420 58.7350 41.5625 174.1501 104 K 5.1720 8.4307 121.4335 55.0377 36.1673 175.3371 105 V 4.8642 8.8095 123.3459 59.8390 34.0548 174.5614 106 K 4.8105 8.7432 125.3304 55.5865 33.5906 177.1206 107 T 4.5659 8.6918 120.1574 60.8102 68.2596 175.1247 108 L 4.2411 8.4349 123.5688 56.9283 41.5317 178.2076 109 T 4.2721 7.9036 107.2867 61.0659 69.3231 175.5989 110 G 3.9339 8.5804 111.4167 45.0938 0.0000 173.7311 111 K 4.1497 7.6036 121.5487 56.2392 33.3985 175.0106 112 E 4.9319 8.7367 128.3878 54.6273 31.2158 174.8568 113 I 4.6843 8.2759 119.2967 59.1537 41.0093 174.0889 114 E 4.8834 8.8495 125.2484 55.7782 30.5930 175.7480 115 I 4.5391 9.4173 125.1967 59.6196 41.3038 174.8936 116 D 4.8106 8.6320 124.7385 53.3454 40.5841 175.7184 117 I 4.8724 8.5860 123.3925 59.3029 41.4129 174.9213 118 E 4.6794 8.7509 124.8649 54.5256 31.6975 176.5295 119 P 4.0618 0.0000 0.0000 65.6354 31.8070 176.9708 120 T 4.0834 7.7215 111.1384 63.5022 67.8544 174.0847 121 D 4.6015 8.6297 121.7503 54.5965 41.6649 175.0718 122 K 4.9524 8.1402 119.2378 54.7715 34.3136 177.8383 123 V 3.5534 8.5552 122.2401 66.5163 31.0437 178.0454 124 E 3.9020 8.2316 117.1248 59.5844 29.6261 178.4739 125 R 4.0309 8.3210 118.8921 59.2341 30.1404 178.2331 126 I 3.6573 7.7259 119.2634 64.6216 37.1394 178.1560 127 K 4.0618 8.0150 118.9499 59.6951 31.9739 179.2423 128 E 4.0184 8.1572 118.7704 59.1326 29.1618 179.4080 129 R 3.8929 7.9323 119.1385 59.1175 30.0876 178.5543 130 V 3.5595 7.7136 117.6244 65.9809 31.4909 177.1087 131 E 3.8930 8.1452 118.8617 59.6167 29.2315 178.1541 132 E 3.7626 7.6764 117.1946 59.1991 29.5554 178.4892 133 K 4.1465 7.4775 118.1796 59.0660 32.7639 178.0351 134 E 4.2976 8.7798 117.2778 56.5463 29.8813 177.7332 135 G 3.8748 8.6320 106.5753 44.9463 0.0000 173.3205 136 I 3.8750 7.3547 120.6094 59.8651 37.2313 174.0434 137 P 4.1960 0.0000 0.0000 62.4908 31.7986 175.3882 138 P 4.2229 0.0000 0.0000 65.7465 31.5043 178.1338 139 Q 3.9210 8.2212 117.7723 58.6533 28.8239 176.9214 140 Q 4.5866 7.9378 113.9668 55.7818 28.9633 174.7346 141 Q 4.4829 8.0316 117.9740 55.0639 30.3610 175.3540 142 R 4.5531 8.4022 120.9096 54.5277 33.3133 174.2068 143 L 5.1195 8.4114 124.3093 53.2478 44.1834 175.8410 144 I 4.9698 8.7981 123.4572 59.7577 41.4477 174.1897 145 Y 4.8941 8.6831 127.0882 56.4789 41.9229 175.0734 146 S 3.6747 9.3983 124.6304 59.5615 60.5104 174.0631 147 G 4.0063 8.3230 108.2353 45.7606 0.0000 174.5354 148 K 4.1036 7.8336 120.6893 56.1013 32.0626 176.2699 149 Q 4.6676 8.5688 123.5280 55.1607 28.4354 174.8434 150 M 3.1863 7.9962 124.3963 56.1456 32.9031 175.7089 151 N 4.7562 9.9904 124.5612 51.8478 40.3583 176.4430 152 D 4.9981 8.6396 129.1916 53.4965 39.0002 176.6372 153 E 4.5261 8.7167 120.4659 56.8684 31.6888 175.4076 154 K 4.3691 7.9445 117.9730 55.7477 33.9085 175.0961 155 T 4.9028 9.8429 114.4522 60.2882 69.0144 175.2165 156 A 4.1740 8.4531 128.4919 54.6943 18.8702 180.2483 157 A 3.9896 7.9414 118.8010 55.2997 18.6951 179.4248 158 D 3.7898 7.6577 114.3628 57.4887 40.8856 177.5260 159 Y 4.5477 7.8787 113.4203 56.9438 38.0971 175.2470 160 K 3.8438 8.8573 119.1806 57.4280 30.0818 176.3483 161 I 3.7278 7.7497 120.3155 61.3385 36.5722 175.8633 162 L 4.6776 7.7637 126.1905 53.7941 45.3186 180.6432 163 G 3.7868 7.7247 106.0974 45.7304 0.0000 176.6502 164 G 3.9717 8.5745 113.7691 45.6867 0.0000 173.4647 165 S 4.5300 8.0139 114.1097 57.9148 65.0106 173.5680 166 V 4.6615 8.4764 120.9976 61.3500 33.2245 174.6765 167 L 5.1074 8.6436 127.1686 53.4400 44.7113 174.9731 168 H 5.2627 9.2163 118.9655 54.0284 32.0594 172.9637 169 L 4.9596 8.7302 123.4836 53.9486 42.5446 176.3637 170 V 4.6420 8.7582 123.0914 60.0004 34.9027 174.4379 171 L 4.5519 8.2553 120.3365 53.6030 44.8176 174.1921 172 Q 4.5438 8.6020 125.5541 54.2709 30.6730 174.6262 173 L 4.6893 8.3204 125.0836 53.5054 43.6673 176.6628 174 R 4.2066 8.5015 120.4292 58.2516 30.9691 177.7226 175 G 3.8099 7.7050 105.1182 45.3502 0.0000 173.4706 176 G 3.4064 8.7628 107.6576 45.1762 0.0000 173.3098 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 101 M 8.16 4.34 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 102 L 8.39 4.94 0.00 1.87 1.53 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.12 4.58 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.70 0.89 0.00 0.00 104 K 8.43 5.17 0.00 1.74 1.87 0.00 1.25 0.00 0.00 1.89 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.34 7.81 105 V 8.81 4.86 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 0.75 0.00 0.00 0.90 0.00 0.00 106 K 8.74 4.81 0.00 1.57 1.76 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.41 1.33 7.81 107 T 8.69 4.57 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 1.32 0.00 0.00 108 L 8.43 4.24 0.00 1.67 1.72 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.90 4.27 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 0.00 110 G 8.58 3.93 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 0.00 0.00 0.00 111 K 7.60 4.15 0.00 1.89 1.68 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.38 7.81 112 E 8.74 4.93 0.00 2.00 1.82 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 2.20 2.27 0.00 113 I 8.28 4.68 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 1.48 1.15 0.90 0.00 0.00 114 E 8.85 4.88 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 115 I 9.42 4.54 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.19 0.89 0.00 0.00 116 D 8.63 4.81 0.00 2.54 2.64 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 0.00 117 I 8.59 4.87 1.84 0.00 0.00 0.84 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 0.83 0.89 0.00 0.00 118 E 8.75 4.68 0.00 1.96 1.81 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 2.20 2.37 0.00 119 P 0.00 4.06 0.00 2.05 2.08 0.00 3.66 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 2.02 2.12 0.00 120 T 7.72 4.08 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 0.00 121 D 8.63 4.60 0.00 2.80 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 0.00 122 K 8.14 4.95 0.00 1.81 1.72 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.41 7.81 123 V 8.56 3.55 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 0.92 0.00 0.00 1.17 0.00 0.00 124 E 8.23 3.90 0.00 2.25 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 0.00 2.30 2.39 0.00 125 R 8.32 4.03 0.00 1.89 2.06 0.00 3.29 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 126 I 7.73 3.66 2.00 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 1.61 0.63 0.86 0.00 0.00 127 K 8.01 4.06 0.00 2.00 1.85 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.59 7.81 128 E 8.16 4.02 0.00 2.24 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 0.00 2.32 2.47 0.00 129 R 7.93 3.89 0.00 2.03 1.90 0.00 3.31 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 130 V 7.71 3.56 2.33 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 1.00 0.00 0.00 0.97 0.00 0.00 131 E 8.15 3.89 0.00 2.20 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 0.00 2.31 2.33 0.00 132 E 7.68 3.76 0.00 2.19 2.24 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 2.33 2.35 0.00 133 K 7.48 4.15 0.00 1.87 1.79 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.50 7.81 134 E 8.78 4.30 0.00 2.06 1.98 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 2.30 2.45 0.00 135 G 8.63 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 0.00 0.00 0.00 136 I 7.35 3.87 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 1.41 0.57 0.91 0.00 0.00 137 P 0.00 4.20 0.00 2.17 2.01 0.00 3.61 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 138 P 0.00 4.22 0.00 2.17 2.11 0.00 3.61 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 2.11 2.09 0.00 139 Q 8.22 3.92 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.49 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 140 Q 7.94 4.59 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.39 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 141 Q 8.03 4.48 0.00 2.30 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.98 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 142 R 8.40 4.55 0.00 1.90 1.81 0.00 3.27 0.00 0.00 3.33 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 143 L 8.41 5.12 0.00 1.52 1.48 0.86 0.65 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 0.00 144 I 8.80 4.97 1.90 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 1.12 1.06 0.91 0.00 0.00 145 Y 8.68 4.89 0.00 2.93 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.40 3.67 0.00 3.73 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 0.00 147 G 8.32 4.01 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 0.00 0.00 0.00 148 K 7.83 4.10 0.00 2.16 2.03 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.72 7.81 149 Q 8.57 4.67 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 150 M 8.00 3.19 0.00 1.38 1.85 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.56 0.00 151 N 9.99 4.76 0.00 2.88 2.87 0.00 0.00 6.52 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 8.64 5.00 0.00 2.88 2.75 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 0.00 153 E 8.72 4.53 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 154 K 7.94 4.37 0.00 2.06 1.97 0.00 1.68 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.48 7.81 155 T 9.84 4.90 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 1.41 0.00 0.00 156 A 8.45 4.17 1.31 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 0.00 0.00 157 A 7.94 3.99 1.34 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 0.00 0.00 158 D 7.66 3.79 0.00 2.34 2.39 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 0.00 159 Y 7.88 4.55 0.00 3.00 3.23 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 0.00 160 K 8.86 3.84 0.00 1.98 1.99 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 161 I 7.75 3.73 2.04 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.20 0.76 0.00 0.00 162 L 7.76 4.68 0.00 1.90 1.56 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 163 G 7.72 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 G 8.57 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 S 8.01 4.53 0.00 4.15 4.15 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 0.00 166 V 8.48 4.66 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 0.75 0.00 0.00 0.96 0.00 0.00 167 L 8.64 5.11 0.00 1.58 1.50 0.79 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 168 H 9.22 5.26 0.00 3.09 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.73 4.96 0.00 1.68 1.60 0.91 1.17 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 0.00 170 V 8.76 4.64 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 0.67 0.00 0.00 0.93 0.00 0.00 171 L 8.26 4.55 0.00 1.55 1.51 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 172 Q 8.60 4.54 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 173 L 8.32 4.69 0.00 1.65 1.56 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.50 4.21 0.00 1.79 1.97 0.00 3.21 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 175 G 7.71 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 0.00 176 G 8.76 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00