NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 149 S 4.3820 8.1927 115.2844 58.3558 64.4383 175.7044 150 I 3.3882 7.4849 119.8642 62.5657 37.9772 175.7632 151 L 4.0421 8.8249 122.4333 57.5450 42.8011 176.4935 152 D 4.6229 7.6730 115.9680 54.3772 41.2742 176.8885 153 I 4.2020 7.4173 121.0817 60.4336 35.9542 175.0334 154 R 4.9679 8.1929 123.3483 54.1732 33.1266 175.2226 155 Q 4.3826 8.2501 122.9952 54.7853 30.2301 175.9264 156 G 3.7976 9.8328 114.1301 45.6768 0.0000 172.9444 157 P 4.4361 0.0000 0.0000 64.7021 31.5059 177.3828 158 K 4.5727 7.7583 113.3924 55.4033 33.9040 175.5054 159 E 4.1554 7.8860 120.8536 54.8598 30.2349 174.7815 160 P 4.3846 0.0000 0.0000 62.6934 32.2879 176.8081 161 F 4.2430 9.2658 125.0768 61.8711 39.2058 177.4220 162 R 3.8341 8.2426 117.5154 59.6371 29.6835 177.9926 163 D 4.4166 8.5175 118.9925 57.1503 40.5274 177.9749 164 Y 4.2956 8.0146 119.7044 60.6575 38.7317 178.3656 165 V 3.0990 7.4408 119.0483 65.8769 31.5585 177.5636 166 D 4.4477 7.7893 118.2311 57.6068 40.6314 179.2663 167 R 3.8832 7.7534 118.1247 59.0992 30.1248 178.6179 168 F 3.7416 7.9528 120.3943 61.7624 39.2671 176.9084 169 Y 4.1168 8.0503 116.0393 60.5153 37.7271 177.8403 170 K 3.8575 8.4108 121.0833 60.0733 31.7631 178.9105 171 T 3.8096 8.1622 116.1062 66.5933 68.2910 176.6875 172 L 3.8986 7.7681 120.8561 57.6331 41.5973 179.7555 173 R 3.8880 8.5187 118.1832 59.3888 29.8735 178.8159 174 A 4.1812 7.6493 118.8067 54.8704 18.3203 178.4984 175 E 4.3160 7.5750 113.3144 55.2582 30.0151 176.0430 176 Q 3.4872 8.5125 117.0066 56.3030 26.9312 174.0349 177 A 3.9985 7.9583 120.2516 52.3948 19.1058 179.5245 178 S 4.5142 8.4356 118.0024 57.8478 65.5873 175.1698 179 Q 4.0789 8.4851 119.1448 59.3830 28.6997 177.6826 180 E 4.1013 8.1821 120.8230 58.9270 29.6605 178.8422 181 V 3.7203 7.7094 118.6520 65.8691 31.5735 178.1159 182 K 4.1487 8.2127 118.3354 59.6327 31.6871 179.0461 183 N 4.4255 7.9557 115.4707 56.2875 38.5723 177.2431 184 W 4.2062 8.3825 119.8768 59.9638 29.1177 178.5762 185 M 4.3043 8.7052 119.1540 58.8043 31.2158 178.6833 186 T 3.8942 8.3937 115.1353 66.4289 68.7506 175.5471 187 A 4.4683 7.7278 120.3053 53.2064 19.6435 176.4583 188 T 4.4098 7.8427 105.1554 62.3735 72.1944 176.2032 189 L 4.0928 8.3126 120.1635 57.1314 42.1447 178.9967 190 L 3.1971 7.5868 120.1257 57.1771 42.1062 179.0491 191 V 3.7667 7.6665 117.4652 66.3503 31.4947 178.0435 192 Q 4.1437 8.2343 116.3255 58.1732 28.7597 177.4433 193 N 4.8037 8.3584 115.8906 52.1182 38.8756 174.8673 194 A 4.1057 7.1504 124.2916 51.1431 19.5241 177.7546 195 N 4.6184 9.0011 118.5731 51.7791 39.5098 174.5838 196 P 4.2812 0.0000 0.0000 65.7108 31.2263 178.7990 197 D 4.3430 8.0339 117.2505 57.3666 41.0319 178.4121 198 C 3.9625 8.4494 117.2350 62.5043 28.0497 175.6668 199 K 3.7513 8.5071 121.6598 60.2309 31.6559 178.6704 200 T 3.8306 7.5713 115.4964 66.5481 68.2628 176.8025 201 I 3.6038 7.4984 121.1939 64.3837 37.1524 178.3393 202 L 3.9068 8.2262 120.0394 57.9335 41.2431 179.8943 203 K 3.9421 8.0952 117.0696 59.2481 32.0037 179.0101 204 A 4.1083 7.6788 120.2681 55.0366 18.3995 179.1931 205 L 4.0592 7.8683 116.8602 56.8993 42.3734 178.4872 206 G 3.9509 8.0449 103.6336 43.5997 0.0000 170.7616 207 P 4.2691 0.0000 0.0000 64.2655 31.3357 176.8491 208 G 3.7924 8.7914 107.6016 45.5416 0.0000 173.5403 209 A 4.2689 7.2177 121.4574 51.8311 19.0598 178.7982 210 T 4.2961 8.6596 112.3358 60.8394 71.2691 175.8747 211 L 3.9890 8.4264 122.9953 58.4794 41.9466 178.7712 212 E 3.9546 8.1375 118.6380 59.2573 29.6582 178.5279 213 E 3.9327 8.0062 118.5052 59.6998 29.0393 178.9261 214 M 3.9601 8.2919 118.9960 58.9539 32.1547 178.9258 215 M 4.3609 8.3988 118.4956 58.6999 32.0002 178.7082 216 T 3.8736 7.9360 114.6856 66.9069 68.7866 176.2458 217 A 4.1245 7.9648 120.6126 54.1341 18.3982 178.3424 218 C 4.5109 7.2478 112.5707 58.4062 28.7470 173.5718 219 Q 4.2415 7.4357 121.1679 57.0534 28.9213 174.8251 220 G 4.4191 10.1662 115.3675 45.7538 0.0000 173.7958 221 V 3.9970 7.0191 123.0682 61.6087 31.3735 173.7318 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 149 S 8.19 4.38 0.00 3.84 4.08 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 0.00 0.00 0.00 150 I 7.48 3.39 1.61 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.61 0.81 0.00 0.00 151 L 8.82 4.04 0.00 1.62 1.70 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 152 D 7.67 4.62 0.00 2.90 2.69 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 0.00 153 I 7.42 4.20 1.97 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 1.23 0.65 1.09 0.00 0.00 154 R 8.19 4.97 0.00 1.68 1.80 0.00 3.22 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 155 Q 8.25 4.38 0.00 0.93 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.87 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 156 G 9.83 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 P 0.00 4.44 0.00 2.04 2.13 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 158 K 7.76 4.57 0.00 1.69 1.77 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.33 7.81 159 E 7.89 4.16 0.00 1.98 2.10 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 2.40 2.34 0.00 160 P 0.00 4.38 0.00 2.37 2.03 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.11 0.00 161 F 9.27 4.24 0.00 3.14 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 0.00 162 R 8.24 3.83 0.00 1.99 1.97 0.00 3.25 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 163 D 8.52 4.42 0.00 2.90 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 0.00 164 Y 8.01 4.30 0.00 3.13 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.44 3.10 2.01 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 1.10 0.00 0.00 0.21 0.00 0.00 166 D 7.79 4.45 0.00 2.72 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 0.00 167 R 7.75 3.88 0.00 1.98 2.00 0.00 3.19 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 168 F 7.95 3.74 0.00 2.48 2.55 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 0.00 0.00 0.00 0.00 169 Y 8.05 4.12 0.00 3.19 2.99 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 0.00 170 K 8.41 3.86 0.00 2.07 1.97 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 171 T 8.16 3.81 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 1.08 0.00 0.00 172 L 7.77 3.90 0.00 1.87 1.71 0.58 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 173 R 8.52 3.89 0.00 1.98 1.98 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 174 A 7.65 4.18 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 0.00 175 E 7.58 4.32 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 176 Q 8.51 3.49 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 177 A 7.96 4.00 1.28 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 0.00 0.00 178 S 8.44 4.51 0.00 4.08 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 0.00 179 Q 8.49 4.08 0.00 2.31 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 180 E 8.18 4.10 0.00 2.14 2.06 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 2.69 2.55 0.00 181 V 7.71 3.72 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 1.10 0.00 0.00 0.91 0.00 0.00 182 K 8.21 4.15 0.00 2.16 2.08 0.00 1.81 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.65 1.78 7.81 183 N 7.96 4.43 0.00 2.94 2.89 0.00 0.00 7.10 8.95 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 0.00 184 W 8.38 4.21 0.00 3.57 3.33 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 0.00 0.00 0.00 0.00 185 M 8.71 4.30 0.00 2.32 2.50 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.96 0.00 186 T 8.39 3.89 4.51 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 1.31 0.00 0.00 187 A 7.73 4.47 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 0.00 188 T 7.84 4.41 4.36 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 1.44 0.00 0.00 189 L 8.31 4.09 0.00 2.04 2.33 1.02 0.55 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 0.00 190 L 7.59 3.20 0.00 0.55 1.57 -0.12 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 191 V 7.67 3.77 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 1.02 0.00 0.00 0.95 0.00 0.00 192 Q 8.23 4.14 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 193 N 8.36 4.80 0.00 3.27 3.22 0.00 0.00 6.75 6.73 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 0.00 194 A 7.15 4.11 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 N 9.00 4.62 0.00 2.91 3.02 0.00 0.00 7.36 7.58 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 0.00 196 P 0.00 4.28 0.00 2.15 2.13 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 197 D 8.03 4.34 0.00 2.66 2.67 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 0.00 0.00 0.00 0.00 198 C 8.45 3.96 0.00 3.11 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 0.00 199 K 8.51 3.75 0.00 1.99 1.81 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.51 7.81 200 T 7.57 3.83 4.36 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 1.18 0.00 0.00 201 I 7.50 3.60 1.89 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 1.46 0.72 0.81 0.00 0.00 202 L 8.23 3.91 0.00 1.58 1.68 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 203 K 8.10 3.94 0.00 1.69 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.68 7.81 204 A 7.68 4.11 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 0.00 205 L 7.87 4.06 0.00 1.77 1.72 0.88 0.87 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 0.00 206 G 8.04 3.95 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 0.00 0.00 0.00 207 P 0.00 4.27 0.00 2.13 2.03 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 208 G 8.79 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 0.00 209 A 7.22 4.27 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 0.00 210 T 8.66 4.30 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 1.20 0.00 0.00 211 L 8.43 3.99 0.00 1.80 1.71 1.06 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 212 E 8.14 3.95 0.00 2.04 1.93 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 2.39 2.35 0.00 213 E 8.01 3.93 0.00 2.19 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 2.32 2.35 0.00 214 M 8.29 3.96 0.00 2.17 2.45 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.61 0.00 215 M 8.40 4.36 0.00 2.20 2.39 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 3.02 2.86 0.00 216 T 7.94 3.87 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 1.21 0.00 0.00 217 A 7.96 4.12 1.28 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 0.00 0.00 218 C 7.25 4.51 0.00 2.62 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 0.00 219 Q 7.44 4.24 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 220 G 10.17 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 V 7.02 4.00 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 0.60 0.00 0.00 0.93 0.00 0.00