NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 110 K 4.2457 8.1576 120.1082 56.8535 34.8702 174.0562 111 I 4.4906 8.0078 114.9818 58.3256 41.1154 172.8598 112 F 5.4594 9.9186 125.0402 56.8589 43.2706 175.2270 113 V 5.0778 6.0916 114.2468 60.0241 36.6640 173.8473 114 G 4.5989 8.2856 108.8918 45.1408 0.0000 173.1787 115 G 3.7456 8.9108 105.4252 45.3164 0.0000 172.5884 116 L 3.7556 7.5951 119.8625 54.2853 41.0327 177.4630 117 S 4.3503 8.2113 118.9299 58.1543 62.2193 173.8552 118 V 4.0834 8.1650 111.8703 61.5100 32.5914 177.3295 119 N 4.7036 8.6925 123.3790 55.2599 39.0294 175.1647 120 T 3.9333 8.8320 113.2633 64.5297 68.5334 172.9581 121 T 4.6282 8.4065 119.1821 59.6722 70.7444 174.6720 122 V 3.7562 8.5687 124.8290 66.6251 31.6050 178.0328 123 E 4.2085 8.4624 117.4691 59.6730 29.0719 179.4169 124 D 4.3465 9.4477 119.2944 57.3279 41.0595 178.8711 125 V 3.7102 7.6996 118.0544 66.0407 31.6549 177.2230 126 K 3.8823 8.6576 119.8850 60.4262 31.6357 178.1963 127 H 4.2061 8.2665 114.4821 58.7505 28.1816 176.5663 128 Y 3.9668 7.3968 121.6951 60.7214 38.8730 177.9539 129 F 3.4069 8.3278 117.9765 58.9016 38.6610 177.3980 130 E 4.0930 8.3267 120.4064 59.3035 29.1533 178.5083 131 Q 4.1504 7.4975 114.8054 58.4494 28.8819 177.6754 132 F 4.6631 8.4411 119.7366 60.9166 39.5548 175.1231 133 G 4.1026 7.4015 103.7494 45.2425 0.0000 172.3182 134 K 3.8948 9.1543 119.9923 59.3811 32.2231 177.3782 135 V 4.0409 7.7875 120.9952 62.5525 28.8275 170.6862 136 D 4.6719 8.4508 123.9085 54.8313 42.3735 176.1299 137 D 5.0565 7.8375 117.4710 52.5350 45.1574 175.3480 138 A 4.5550 8.6662 124.4350 51.6210 20.6718 175.0012 139 M 4.9077 9.0950 118.7431 54.3081 35.0676 174.9301 140 L 4.7667 8.3278 118.0003 53.2544 46.0109 175.7220 141 M 4.4519 8.0582 123.3050 52.7019 33.8433 174.4747 142 F 4.5935 8.9470 121.7754 57.4074 39.4288 176.3859 143 D 4.7556 8.5927 128.1168 52.5773 43.7204 174.3457 144 K 3.8885 9.0832 124.7047 59.1643 32.4349 175.9889 145 T 3.5930 8.7640 112.8608 62.0782 68.2052 172.8375 146 T 4.6492 8.2107 107.7912 61.7642 69.2267 174.3163 147 N 4.8564 7.8467 116.7139 54.5092 38.2735 175.8852 148 R 4.4315 7.7056 116.7961 58.1707 33.2243 176.7133 149 H 4.5027 8.0898 112.5889 55.3210 29.7074 174.6048 150 R 4.3336 8.2920 116.6017 56.6564 31.0879 176.4825 151 G 4.0616 8.0668 105.0948 45.3023 0.0000 170.8499 152 F 4.9945 6.9296 113.8006 55.3626 41.4542 173.9537 153 G 4.5165 8.1944 108.6485 43.6425 0.0000 172.0372 154 F 5.2409 8.1684 118.9222 55.9546 41.4630 175.2806 155 V 4.8411 7.9068 124.4946 62.1679 34.9589 174.6542 156 T 4.2048 8.2271 115.2561 63.0260 72.6096 173.5559 157 F 5.1709 6.9166 122.5088 54.6975 39.3787 175.6203 158 E 3.8910 9.0586 126.4846 59.5430 29.5931 178.3068 159 S 4.5200 8.0272 115.9180 58.5200 61.0238 174.1762 160 E 3.9638 8.5874 124.9897 59.1917 29.7466 176.8212 161 D 4.3377 8.2651 117.0992 57.9665 41.0845 178.3248 162 I 3.6633 7.7577 117.8733 64.1995 38.1228 177.6866 163 V 3.8240 7.8082 118.9650 66.3183 30.9445 177.2222 164 E 3.8861 8.4975 118.1276 59.5167 29.6939 178.5043 165 K 4.1478 7.7771 117.9808 59.0356 32.2839 178.9235 166 V 3.9175 8.0576 119.7327 65.3633 30.7554 177.8459 167 C 4.9535 7.9017 119.9128 61.8892 31.5403 174.9696 168 E 4.1477 8.6952 119.3270 57.5174 29.1320 177.6108 169 I 3.7687 6.9201 120.5516 62.4188 37.5285 176.0724 170 H 4.8881 8.3610 121.4447 55.2280 29.7942 174.3526 171 F 5.4055 7.7101 114.7112 58.3554 41.2033 173.4589 172 H 4.5696 7.8871 120.7342 55.8816 29.0870 175.1108 173 E 4.7182 8.5983 122.9300 55.7368 30.6717 175.9467 174 I 3.1239 8.0078 128.8092 59.8282 36.6513 175.4265 175 N 4.2761 8.2109 126.6979 53.5549 37.1982 175.7463 176 N 4.8117 7.6019 107.8448 52.6104 39.5096 172.9361 177 K 4.4792 7.7012 119.6912 55.2587 35.9002 175.4023 178 M 5.0184 7.5663 117.9393 53.0519 31.5335 176.0806 179 V 4.0483 6.9978 112.9188 61.6475 33.6355 176.2673 180 E 5.2130 8.9237 120.4150 55.6356 34.0252 174.8894 181 C 5.4270 8.5994 119.1068 58.0291 35.4191 172.9121 182 K 5.1584 9.6301 124.8593 54.4649 36.3530 175.0423 183 K 4.8041 8.6058 119.7475 56.0196 34.6573 176.6356 184 A 4.2665 8.0738 122.3179 52.3412 18.9839 176.0176 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 110 K 8.16 4.25 0.00 1.94 1.92 0.00 1.34 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.40 7.81 111 I 8.01 4.49 2.04 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.78 -0.01 0.00 0.00 112 F 9.92 5.46 0.00 3.27 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.09 5.08 1.96 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 0.79 0.00 0.00 0.69 0.00 0.00 114 G 8.29 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.91 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 0.00 0.00 0.00 116 L 7.60 3.76 0.00 1.15 0.99 -0.04 0.64 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 0.00 117 S 8.21 4.35 0.00 3.79 3.82 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 0.00 0.00 0.00 118 V 8.16 4.08 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 0.89 0.00 0.00 0.93 0.00 0.00 119 N 8.69 4.70 0.00 2.78 2.88 0.00 0.00 6.97 7.67 0.00 0.00 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 T 8.83 3.93 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 121 T 8.41 4.63 4.17 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 1.31 0.00 0.00 122 V 8.57 3.76 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 0.89 0.00 0.00 1.02 0.00 0.00 123 E 8.46 4.21 0.00 2.11 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 0.00 2.43 2.54 0.00 124 D 9.45 4.35 0.00 2.96 2.65 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 0.00 125 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 1.10 0.00 0.00 1.17 0.00 0.00 126 K 8.66 3.88 0.00 1.87 2.00 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.54 7.81 127 H 8.27 4.21 0.00 3.45 3.72 0.00 5.52 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 7.40 3.97 0.00 2.51 2.66 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 0.00 129 F 8.33 3.41 0.00 2.92 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.33 4.09 0.00 2.25 2.11 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 2.34 2.37 0.00 131 Q 7.50 4.15 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.55 0.00 132 F 8.44 4.66 0.00 2.60 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 0.00 133 G 7.40 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 0.00 134 K 9.15 3.89 0.00 1.77 1.95 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.57 7.81 135 V 7.79 4.04 2.19 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 1.01 0.00 0.00 1.25 0.00 0.00 136 D 8.45 4.67 0.00 2.71 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 0.00 137 D 7.84 5.06 0.00 2.61 2.53 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 0.00 0.00 0.00 138 A 8.67 4.56 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 0.00 139 M 9.09 4.91 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.65 0.00 140 L 8.33 4.77 0.00 1.79 1.20 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 141 M 8.06 4.45 0.00 1.43 0.72 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 142 F 8.95 4.59 0.00 2.88 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.59 4.76 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 9.08 3.89 0.00 1.90 1.88 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 145 T 8.76 3.59 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 1.20 0.00 0.00 146 T 8.21 4.65 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 1.20 0.00 0.00 147 N 7.85 4.86 0.00 2.66 2.76 0.00 0.00 6.87 7.37 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 0.00 148 R 7.71 4.43 0.00 1.79 1.99 0.00 3.22 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 149 H 8.09 4.50 0.00 3.13 3.31 0.00 5.71 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 0.00 150 R 8.29 4.33 0.00 1.82 1.94 0.00 3.04 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 151 G 8.07 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 6.93 4.99 0.00 2.76 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.19 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 F 8.17 5.24 0.00 3.06 2.91 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 0.00 0.00 0.00 155 V 7.91 4.84 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 1.09 0.00 0.00 0.70 0.00 0.00 156 T 8.23 4.20 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 1.14 0.00 0.00 157 F 6.92 5.17 0.00 3.20 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.06 3.89 0.00 2.02 2.14 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 2.33 2.39 0.00 159 S 8.03 4.52 0.00 4.17 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 0.00 160 E 8.59 3.96 0.00 2.04 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 2.39 2.39 0.00 161 D 8.27 4.34 0.00 2.76 2.68 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 0.00 162 I 7.76 3.66 1.79 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.99 1.10 0.00 0.00 163 V 7.81 3.82 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 0.89 0.00 0.00 1.09 0.00 0.00 164 E 8.50 3.89 0.00 2.16 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 2.35 2.36 0.00 165 K 7.78 4.15 0.00 1.92 1.73 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.46 7.81 166 V 8.06 3.92 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 1.15 0.00 0.00 1.30 0.00 0.00 167 C 7.90 4.95 0.00 3.15 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 0.00 168 E 8.70 4.15 0.00 2.09 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 0.00 2.39 2.38 0.00 169 I 6.92 3.77 1.96 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 1.50 1.25 0.67 0.00 0.00 170 H 8.36 4.89 0.00 3.18 3.32 0.00 5.75 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 F 7.71 5.41 0.00 2.88 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 H 7.89 4.57 0.00 3.59 3.52 0.00 5.62 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 E 8.60 4.72 0.00 1.83 1.64 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 2.09 2.08 0.00 174 I 8.01 3.12 1.59 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 1.17 0.81 0.80 0.00 0.00 175 N 8.21 4.28 0.00 2.78 2.84 0.00 0.00 6.85 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 0.00 176 N 7.60 4.81 0.00 2.68 2.76 0.00 0.00 5.63 7.07 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 0.00 177 K 7.70 4.48 0.00 1.67 1.52 0.00 1.41 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.32 7.81 178 M 7.57 5.02 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 179 V 7.00 4.05 2.31 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 0.60 0.00 0.00 0.99 0.00 0.00 180 E 8.92 5.21 0.00 2.19 1.92 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 2.36 2.51 0.00 181 C 8.60 5.43 0.00 3.41 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 0.00 182 K 9.63 5.16 0.00 1.92 1.72 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.61 7.81 183 K 8.61 4.80 0.00 1.75 1.83 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.38 7.81 184 A 8.07 4.27 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