NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 201 M 4.5527 8.1476 118.3264 55.3273 33.2500 174.4447 202 Q 4.8442 8.3456 119.9135 53.3055 31.7096 172.6482 203 I 4.4196 8.7077 113.2960 59.2992 41.8855 175.1006 204 F 5.4397 8.5319 123.5855 56.4335 41.3955 175.1525 205 V 4.9013 9.0226 123.0509 61.0381 34.1448 174.1329 206 K 4.9885 8.6562 128.7937 56.1644 34.7885 177.0754 207 T 4.8323 8.4949 115.1562 60.3591 71.1792 175.3690 208 L 4.1156 8.6309 120.3879 57.4486 41.7079 178.1725 209 T 4.1999 7.8742 106.6305 61.5737 69.3627 175.4260 210 G 3.9045 7.8602 110.6672 44.7704 0.0000 173.3396 211 K 4.1028 8.0990 122.5816 56.7157 33.0267 175.6504 212 T 5.0609 8.4902 124.3815 62.1545 70.4187 174.2524 213 I 4.6710 8.5177 125.7432 59.8286 41.4106 174.4265 214 T 5.1664 8.7140 122.9308 62.1498 70.0609 173.8036 215 L 4.7801 8.4476 127.1481 52.5180 44.5963 176.1267 216 E 4.2841 8.8654 124.0778 56.8560 30.1574 176.7069 217 V 4.5329 8.4320 116.6812 60.3134 36.0982 174.1164 218 E 4.8758 8.4818 118.3216 54.2554 33.5894 175.5120 219 P 4.3942 0.0000 0.0000 65.3759 31.3419 177.7188 220 S 4.5422 7.7763 112.6956 57.9814 63.5962 173.5427 221 D 4.4742 8.2798 122.5417 54.1592 41.7025 175.5648 222 T 4.7679 8.1816 115.3825 60.7864 70.4730 175.6288 223 I 3.6772 8.3119 124.8281 64.7420 36.8469 178.6000 224 E 4.0274 8.1597 117.0552 59.3135 29.5764 178.8130 225 N 4.4423 8.3557 117.7739 56.1703 38.7430 177.2422 226 V 3.5304 7.8016 119.1363 66.1129 31.5826 177.5292 227 K 3.8211 8.1070 118.8056 59.7211 31.9158 178.4532 228 A 4.0298 7.9136 120.7126 54.8663 18.2978 179.6457 229 K 3.8571 7.9348 117.0961 59.9840 32.1343 179.5445 230 I 3.7408 7.7759 119.2693 64.2351 36.8708 178.2025 231 Q 4.6617 7.7989 121.5980 59.0260 28.7787 178.1897 232 D 4.3512 8.1636 118.1238 56.3059 40.8020 178.1483 233 K 4.3187 7.5791 117.6751 58.4219 31.8248 178.1345 234 E 4.3622 9.0877 118.1084 55.8317 29.4435 177.7329 235 G 4.0260 7.9429 106.9830 46.1641 0.0000 173.1853 236 I 4.3542 6.9901 120.3544 58.4680 38.9013 174.2078 237 P 4.8052 0.0000 0.0000 61.5067 32.3343 175.5553 238 P 4.2871 0.0000 0.0000 65.7783 31.4426 177.8378 239 D 4.6974 8.1026 116.2815 54.4648 39.6945 176.2237 240 Q 4.6599 7.8746 116.1010 56.2508 31.3123 175.4932 241 Q 4.7771 7.9485 117.0492 55.3757 30.3451 175.7975 242 R 4.6916 8.8090 119.7850 54.4681 34.4695 174.0768 243 L 5.1492 8.4932 122.8948 53.1610 44.2468 175.2885 244 I 4.9529 8.8395 124.7030 59.3694 40.8873 174.4369 245 F 5.0628 8.8144 127.9700 56.4712 42.2034 174.5494 246 A 3.2141 8.9108 130.2607 53.3775 15.5260 177.7919 247 G 3.8865 8.3581 105.4769 46.9358 0.0000 174.0158 248 K 4.5318 7.5600 119.0478 54.5276 34.5410 174.8977 249 Q 4.4318 8.5027 123.8824 55.3347 29.5792 175.3657 250 L 3.4527 8.1492 126.7957 54.6207 42.4204 176.1623 251 E 4.6956 9.7332 123.8558 54.6844 31.7574 176.2936 252 D 4.7694 8.9508 123.6434 55.3165 41.0574 176.7639 253 G 4.2422 7.6331 108.9012 44.5091 0.0000 172.7111 254 R 4.5998 7.8169 116.7504 55.0590 34.8351 174.2434 255 T 5.1055 7.8959 108.2304 59.6549 71.5991 175.3606 256 L 4.0635 8.4380 122.7295 58.1694 41.6985 180.1803 257 S 4.1372 8.1131 113.9490 61.5269 62.5189 176.2733 258 D 4.3312 7.8719 121.6651 56.4893 40.5479 177.0923 259 Y 4.4720 7.6457 114.9890 56.7620 38.4256 174.6656 260 N 4.2512 7.8529 116.9634 54.7382 37.7907 173.8168 261 I 4.0549 7.7319 116.3440 59.7951 38.5080 175.2383 262 Q 4.6424 8.0611 122.3835 53.0168 32.6601 174.9490 263 K 3.9576 8.3049 117.5637 58.1641 32.6369 176.7547 264 E 3.0412 8.1589 117.0021 56.7744 28.1872 175.2533 265 S 4.4584 7.3289 113.7022 58.6088 64.4134 173.1965 266 T 5.2223 8.6536 118.0480 62.0046 71.0903 173.3392 267 L 5.1320 9.1197 124.6094 53.3653 46.1572 174.7657 268 H 5.3035 8.9847 116.8960 54.0632 31.6766 173.2365 269 L 5.0853 8.3884 124.3820 53.3638 43.8369 175.4783 270 V 4.4552 8.8311 126.5907 61.0359 33.9126 174.5575 271 L 4.5868 8.5296 127.6581 53.9928 42.3387 177.0963 272 R 4.5193 8.6261 128.4435 57.0409 30.9806 176.9795 273 L 4.5507 8.5840 112.1808 55.9687 44.2226 176.1859 274 R 4.0631 7.9485 121.1792 56.5230 30.0268 175.7649 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 2.06 2.27 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 202 Q 8.35 4.84 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.92 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 203 I 8.71 4.42 1.72 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 1.10 0.61 0.69 0.00 0.00 204 F 8.53 5.44 0.00 3.01 2.90 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 0.00 0.00 0.00 205 V 9.02 4.90 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 1.10 0.00 0.00 0.93 0.00 0.00 206 K 8.66 4.99 0.00 1.91 1.92 0.00 1.17 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 1.40 1.32 7.81 207 T 8.49 4.83 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 1.31 0.00 0.00 208 L 8.63 4.12 0.00 1.67 1.78 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 209 T 7.87 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 1.22 0.00 0.00 210 G 7.86 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 211 K 8.10 4.10 0.00 1.93 1.72 0.00 1.50 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.63 1.47 7.81 212 T 8.49 5.06 4.20 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 1.18 0.00 0.00 213 I 8.52 4.67 1.91 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 1.24 0.84 0.93 0.00 0.00 214 T 8.71 5.17 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 215 L 8.45 4.78 0.00 1.56 1.53 0.92 0.86 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 0.00 216 E 8.87 4.28 0.00 1.84 1.88 0.00 0.00 0.00 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 0.00 217 V 8.43 4.53 2.03 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 0.68 0.00 0.00 0.88 0.00 0.00 218 E 8.48 4.88 0.00 1.84 1.75 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 2.26 2.26 0.00 219 P 0.00 4.39 0.00 2.19 2.30 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 220 S 7.78 4.54 0.00 3.85 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 0.00 221 D 8.28 4.47 0.00 2.87 2.51 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 0.00 222 T 8.18 4.77 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 1.21 0.00 0.00 223 I 8.31 3.68 2.06 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 1.93 1.40 0.89 0.00 0.00 224 E 8.16 4.03 0.00 2.12 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 2.28 2.41 0.00 225 N 8.36 4.44 0.00 2.98 2.95 0.00 0.00 6.71 8.21 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 0.00 226 V 7.80 3.53 2.16 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 1.08 0.00 0.00 0.98 0.00 0.00 227 K 8.11 3.82 0.00 2.04 1.80 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 228 A 7.91 4.03 1.38 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 0.00 0.00 0.00 229 K 7.93 3.86 0.00 1.98 1.87 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.80 7.81 230 I 7.78 3.74 2.12 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 1.53 0.82 0.93 0.00 0.00 231 Q 7.80 4.66 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 232 D 8.16 4.35 0.00 2.69 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 K 7.58 4.32 0.00 1.76 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.60 7.81 234 E 9.09 4.36 0.00 2.02 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 2.46 0.00 235 G 7.94 4.03 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 0.00 0.00 0.00 236 I 6.99 4.35 2.02 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 1.36 1.03 0.91 0.00 0.00 237 P 0.00 4.81 0.00 2.22 2.17 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 238 P 0.00 4.29 0.00 2.24 2.35 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 239 D 8.10 4.70 0.00 2.79 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 0.00 240 Q 7.87 4.66 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 241 Q 7.95 4.78 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 242 R 8.81 4.69 0.00 1.87 1.81 0.00 3.09 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 243 L 8.49 5.15 0.00 1.53 1.53 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 244 I 8.84 4.95 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 1.10 1.07 0.98 0.00 0.00 245 F 8.81 5.06 0.00 2.96 2.85 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 0.00 0.00 0.00 246 A 8.91 3.21 0.92 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 0.00 247 G 8.36 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 7.56 4.53 0.00 2.02 1.94 0.00 1.58 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.48 1.29 7.81 249 Q 8.50 4.43 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 250 L 8.15 3.45 0.00 1.43 1.21 0.74 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 251 E 9.73 4.70 0.00 2.18 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 2.38 2.33 0.00 252 D 8.95 4.77 0.00 2.71 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 0.00 253 G 7.63 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 0.00 0.00 0.00 0.00 254 R 7.82 4.60 0.00 1.96 1.64 0.00 3.09 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.54 0.00 255 T 7.90 5.11 4.37 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 1.27 0.00 0.00 256 L 8.44 4.06 0.00 1.70 1.69 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 257 S 8.11 4.14 0.00 4.04 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.33 0.00 2.75 2.32 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 0.00 259 Y 7.65 4.47 0.00 3.10 3.02 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 0.00 260 N 7.85 4.25 0.00 3.00 3.07 0.00 0.00 7.10 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 0.00 261 I 7.73 4.05 1.78 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.45 0.53 0.00 0.00 262 Q 8.06 4.64 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.07 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 263 K 8.30 3.96 0.00 1.83 1.91 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.41 7.81 264 E 8.16 3.04 0.00 2.16 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 2.39 2.27 0.00 265 S 7.33 4.46 0.00 3.77 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 0.00 266 T 8.65 5.22 4.37 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 1.36 0.00 0.00 267 L 9.12 5.13 0.00 1.55 1.56 0.73 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 268 H 8.98 5.30 0.00 3.16 3.22 0.00 5.77 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 269 L 8.39 5.09 0.00 1.67 1.56 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 270 V 8.83 4.46 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 1.01 0.00 0.00 0.94 0.00 0.00 271 L 8.53 4.59 0.00 1.58 1.58 0.93 0.98 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 0.00 272 R 8.63 4.52 0.00 1.99 1.60 0.00 3.20 0.00 0.00 3.40 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 273 L 8.58 4.55 0.00 1.62 1.64 0.92 0.82 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 0.00 274 R 7.95 4.06 0.00 1.77 1.81 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00