NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 201 M 4.5527 8.1476 120.6107 55.4003 34.0153 173.7656 202 L 4.9376 8.3782 126.9895 52.9193 42.5724 174.1201 203 I 5.0316 9.7197 117.0691 59.0087 42.2498 175.1355 204 K 4.9730 8.9583 121.6039 54.5451 35.4549 175.5686 205 V 4.6343 8.6879 124.6030 61.0871 33.6782 174.1299 206 K 5.2536 9.0302 129.9298 54.7816 35.3488 176.0410 207 T 4.9482 8.7854 117.1654 59.8497 70.0424 175.6546 208 L 4.0819 8.3173 121.3247 57.2045 41.6592 178.2807 209 T 4.1460 7.8734 107.2738 61.5887 69.1533 175.5362 210 G 3.9186 8.2691 110.6776 45.4833 0.0000 173.4256 211 K 4.5279 7.7958 119.9515 55.5422 33.2997 175.9292 212 E 5.9054 8.8856 121.4271 53.9066 33.2407 174.4331 213 I 4.7138 8.0285 112.4594 59.2283 41.3277 173.4938 214 E 4.8574 8.7584 125.2302 55.5254 31.0116 175.2809 215 I 4.6403 8.7182 126.1921 59.6232 41.7894 173.6859 216 D 5.2879 8.8245 126.5433 52.9692 41.9273 174.9454 217 I 4.6553 8.7634 119.5827 59.0220 41.2675 173.9436 218 E 4.6221 9.4271 122.9114 53.6938 31.1707 174.9657 219 P 4.3196 0.0000 0.0000 65.8771 31.5719 177.5306 220 T 4.3368 7.7449 105.3481 61.6152 69.3405 174.3044 221 D 4.5580 8.4894 124.0809 54.0115 41.7307 176.3236 222 K 4.6746 8.3930 122.5016 55.9999 33.1644 178.2543 223 V 3.6085 8.9481 121.7750 66.2555 31.3126 178.1525 224 E 3.9401 8.2441 119.1166 59.3505 29.4307 178.8808 225 R 4.0759 7.9603 118.7263 59.4076 30.1367 178.6036 226 I 3.7177 7.5934 119.2535 64.3194 37.1124 178.4022 227 K 4.3853 8.0760 120.6680 58.9950 31.8540 179.3176 228 E 3.9732 8.2722 118.9796 59.1302 29.4184 179.3326 229 R 3.9109 7.8832 119.0575 59.2800 30.0640 178.7243 230 V 3.6032 7.8461 118.2117 65.8871 31.4157 177.6620 231 E 4.1265 8.2669 120.6527 58.8189 29.2478 178.6972 232 E 3.9518 8.0871 117.8368 58.9069 29.5679 178.7391 233 K 4.2968 7.8317 116.6884 57.3044 32.6935 177.2603 234 E 4.4707 8.3887 116.1402 55.0198 31.4547 177.0415 235 G 3.8623 8.3681 106.5978 45.6980 0.0000 173.1653 236 I 4.1807 7.3519 121.1876 58.9357 38.1796 173.7047 237 P 4.4358 0.0000 0.0000 61.9975 32.0954 175.5847 238 P 4.2871 0.0000 0.0000 65.7139 31.4239 178.7006 239 Q 4.0908 8.0581 114.5269 58.4361 28.7205 176.7696 240 Q 4.5942 7.9552 116.0880 55.3001 29.5891 174.7574 241 Q 4.7727 7.7976 118.5436 54.5321 31.1160 174.7397 242 R 4.6228 8.6864 122.9757 54.6315 33.1496 173.7659 243 L 5.1659 8.4778 126.3463 53.1792 44.3478 175.4645 244 I 5.0739 8.8407 124.2517 59.6357 40.7395 173.8514 245 Y 4.9099 8.4720 127.4926 56.2928 41.9640 175.4645 246 S 3.4966 9.1936 122.1277 59.5831 60.4300 173.4750 247 G 3.8933 8.3406 106.6800 45.4737 0.0000 174.1698 248 K 4.3693 7.8833 120.7428 54.9307 33.1280 175.6947 249 Q 4.6088 8.5682 123.5317 55.7351 29.2035 175.7919 250 M 3.6533 8.6909 125.9793 54.8390 32.8457 175.9549 251 N 4.5867 9.6950 123.8483 53.1530 39.9787 175.7574 252 D 4.4571 9.0576 125.7516 57.4471 41.1811 178.2377 253 E 4.1812 8.7442 117.4260 57.7029 30.0737 176.9673 254 K 4.3708 7.9829 119.0663 55.6965 33.4130 175.6486 255 T 4.9582 8.3772 109.9257 59.6344 71.2355 175.6173 256 A 4.0369 8.6804 124.7387 55.3464 18.6860 179.9873 257 A 4.0550 8.5136 119.2156 55.4484 18.5686 179.5214 258 D 4.1927 7.7991 114.5952 57.1035 40.8662 176.9715 259 Y 4.5133 7.8508 114.3863 56.8188 38.0961 175.4389 260 K 3.9174 8.0466 118.2790 57.3457 30.2793 175.6929 261 I 3.4178 7.8335 118.6670 60.9490 37.8870 175.6120 262 L 4.8168 8.4941 124.9070 52.0935 44.9326 175.7565 263 G 3.7694 8.3738 108.7208 47.3012 0.0000 174.2648 264 G 3.9603 9.0176 113.2042 44.9380 0.0000 173.8913 265 S 4.3458 7.8496 116.8270 58.6206 64.0938 173.3634 266 V 4.6411 8.4988 123.7421 61.3794 32.8592 174.5599 267 L 4.8477 9.1928 129.0135 53.6336 43.7941 175.3630 268 H 5.0582 9.2840 121.8877 54.9645 30.0546 173.8751 269 L 5.0781 8.8137 125.8414 53.5820 43.8664 175.5248 270 V 4.6129 8.5871 118.8607 59.1795 36.0973 175.0617 271 L 4.5408 8.5628 122.9325 54.8973 42.2070 177.4357 272 A 4.6548 8.9216 124.6717 49.5112 19.0541 176.2751 273 L 4.0957 8.0069 120.7128 54.5347 41.6963 177.5156 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 201 M 8.15 4.55 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 202 L 8.38 4.94 0.00 1.87 1.76 0.91 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 203 I 9.72 5.03 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 0.82 0.00 0.00 204 K 8.96 4.97 0.00 1.66 1.69 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.33 7.81 205 V 8.69 4.63 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 0.92 0.00 0.00 0.90 0.00 0.00 206 K 9.03 5.25 0.00 1.79 1.56 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.35 7.81 207 T 8.79 4.95 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 0.00 208 L 8.32 4.08 0.00 1.66 1.77 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 209 T 7.87 4.15 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 0.00 210 G 8.27 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 0.00 211 K 7.80 4.53 0.00 1.71 1.74 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.53 7.81 212 E 8.89 5.91 0.00 1.98 1.85 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 0.00 2.16 2.13 0.00 213 I 8.03 4.71 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 1.22 0.70 0.95 0.00 0.00 214 E 8.76 4.86 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 215 I 8.72 4.64 1.85 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 1.10 0.57 0.89 0.00 0.00 216 D 8.82 5.29 0.00 2.66 2.57 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 0.00 0.00 0.00 217 I 8.76 4.66 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.83 0.89 0.00 0.00 218 E 9.43 4.62 0.00 2.12 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 2.29 0.00 219 P 0.00 4.32 0.00 2.20 2.10 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 220 T 7.74 4.34 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 0.00 221 D 8.49 4.56 0.00 2.79 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 0.00 222 K 8.39 4.67 0.00 1.83 1.92 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.44 7.81 223 V 8.95 3.61 2.30 0.00 0.00 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 1.07 0.00 0.00 224 E 8.24 3.94 0.00 2.26 1.95 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 2.31 2.37 0.00 225 R 7.96 4.08 0.00 2.09 1.90 0.00 3.20 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 226 I 7.59 3.72 1.98 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 1.62 0.87 0.88 0.00 0.00 227 K 8.08 4.39 0.00 1.99 1.85 0.00 1.80 0.00 0.00 1.92 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.48 7.81 228 E 8.27 3.97 0.00 2.17 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 2.33 2.45 0.00 229 R 7.88 3.91 0.00 2.08 2.06 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 230 V 7.85 3.60 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 1.05 0.00 0.00 1.00 0.00 0.00 231 E 8.27 4.13 0.00 2.23 2.12 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 2.30 2.29 0.00 232 E 8.09 3.95 0.00 2.13 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 2.34 2.55 0.00 233 K 7.83 4.30 0.00 1.74 1.85 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.60 7.81 234 E 8.39 4.47 0.00 1.97 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 2.31 2.35 0.00 235 G 8.37 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 I 7.35 4.18 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 1.41 1.32 0.91 0.00 0.00 237 P 0.00 4.44 0.00 2.17 1.97 0.00 3.61 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 238 P 0.00 4.29 0.00 2.17 2.16 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 239 Q 8.06 4.09 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 240 Q 7.96 4.59 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 241 Q 7.80 4.77 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 242 R 8.69 4.62 0.00 1.85 1.91 0.00 3.06 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 243 L 8.48 5.17 0.00 1.55 1.49 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 244 I 8.84 5.07 1.91 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 1.10 0.73 0.97 0.00 0.00 245 Y 8.47 4.91 0.00 2.96 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 0.00 246 S 9.19 3.50 0.00 3.75 3.70 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 0.00 247 G 8.34 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 0.00 248 K 7.88 4.37 0.00 2.01 1.90 0.00 1.92 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.62 7.81 249 Q 8.57 4.61 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 250 M 8.69 3.65 0.00 1.38 1.75 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.17 0.00 251 N 9.70 4.59 0.00 2.86 2.86 0.00 0.00 6.79 8.42 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 0.00 252 D 9.06 4.46 0.00 2.76 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 0.00 253 E 8.74 4.18 0.00 2.12 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 0.00 2.35 2.43 0.00 254 K 7.98 4.37 0.00 2.22 1.86 0.00 1.66 0.00 0.00 1.43 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.43 7.81 255 T 8.38 4.96 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 256 A 8.68 4.04 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 257 A 8.51 4.06 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 258 D 7.80 4.19 0.00 2.52 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 0.00 0.00 0.00 259 Y 7.85 4.51 0.00 3.18 3.20 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 0.00 260 K 8.05 3.92 0.00 2.05 1.99 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.43 7.81 261 I 7.83 3.42 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.18 0.63 0.00 0.00 262 L 8.49 4.82 0.00 1.65 1.57 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 263 G 8.37 3.77 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 0.00 0.00 0.00 264 G 9.02 3.96 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 0.00 0.00 0.00 265 S 7.85 4.35 0.00 3.72 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 266 V 8.50 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 0.70 0.00 0.00 0.94 0.00 0.00 267 L 9.19 4.85 0.00 1.56 1.54 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 268 H 9.28 5.06 0.00 3.06 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 269 L 8.81 5.08 0.00 1.75 1.52 0.96 0.63 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 0.00 270 V 8.59 4.61 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 0.66 0.00 0.00 0.98 0.00 0.00 271 L 8.56 4.54 0.00 1.53 1.60 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 272 A 8.92 4.65 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 0.00 273 L 8.01 4.10 0.00 1.65 1.60 0.92 0.92 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