NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 201 K 4.2523 8.3149 120.1324 55.8297 32.1765 175.0437 202 P 4.3559 0.0000 0.0000 61.4806 29.8003 171.0489 203 V 3.8606 8.8020 117.0467 62.4620 33.5233 176.3591 204 S 4.4840 7.6895 116.0079 56.7942 62.6825 173.7433 205 L 4.0672 8.5489 128.3375 57.5306 42.2728 176.3394 206 S 4.4274 7.1134 108.8219 58.2792 64.8707 174.5373 207 Y 4.2783 8.4490 115.8380 57.6114 35.7716 174.3807 208 R 4.7208 7.6496 122.3455 54.3845 34.0458 174.6405 209 C 4.7739 8.4540 118.4738 54.6902 41.6135 172.2413 210 P 4.2768 0.0000 0.0000 65.6596 30.7948 177.2374 211 C 4.7376 7.9441 115.7771 55.0744 41.2424 173.8040 212 R 3.8575 8.7089 125.3470 58.2416 30.1072 176.4277 213 F 4.8570 7.9445 114.2302 55.2701 42.3958 173.8109 214 F 5.1244 7.9633 118.3712 55.1172 40.9211 174.9981 215 E 4.5395 9.7293 121.9418 55.7640 30.0339 175.6980 216 S 4.5556 8.7510 119.6986 59.7220 64.7792 172.9329 217 H 4.0019 9.5261 120.9960 52.9656 26.2781 176.2994 218 V 3.2932 8.3761 124.3449 62.4659 32.7009 170.9729 219 A 4.4112 7.9714 124.5769 50.1936 19.5400 178.0019 220 R 2.9755 7.7557 123.1826 58.3460 30.1836 177.1086 221 A 4.0800 7.5557 118.6812 53.5374 19.0083 177.0752 222 N 4.7477 8.1106 114.0265 52.8718 39.5187 174.1472 223 V 4.4935 7.1688 116.2556 61.0448 32.9391 175.9153 224 K 4.2733 8.9589 123.9214 58.0794 32.0368 176.7931 225 H 4.6146 7.3265 112.1745 55.3229 31.4773 171.5715 226 L 5.2429 8.5909 117.9850 52.8923 45.1460 176.2579 227 K 4.5412 8.9330 121.3751 55.0539 35.5635 174.8360 228 I 4.9494 8.5611 128.7162 59.6626 38.4206 175.0851 229 L 4.7295 8.9782 127.7418 53.8668 43.6351 174.9825 230 N 5.1538 8.7940 121.9277 51.5510 41.0072 173.7751 231 T 4.1552 8.3987 117.4921 60.6507 69.6997 174.8043 232 P 4.6885 0.0000 0.0000 62.7367 30.4640 176.6163 233 N 4.6644 8.5121 113.7530 54.8541 40.4889 172.7133 234 C 4.9015 8.0303 114.4643 53.6950 46.9818 172.8846 235 A 4.0678 8.2296 126.2822 51.7359 18.5329 177.2702 236 C 4.1978 8.2006 119.1564 60.0715 30.7687 172.3005 237 Q 4.1121 8.5121 126.9206 55.7438 29.5031 174.1086 238 I 4.8230 8.1674 128.1214 59.5451 39.6537 174.8800 239 V 4.7746 9.1157 127.1712 60.9337 34.2466 174.0125 240 A 5.1778 9.3334 129.3610 50.1204 22.4235 174.4907 241 R 4.7004 8.2950 121.8004 54.7264 31.9914 175.5264 242 L 4.3509 8.2638 126.6777 54.6164 41.8753 176.8619 243 K 3.9558 8.9264 124.5855 58.8355 31.8787 177.0706 244 N 4.6780 7.6911 123.7145 53.4462 41.1843 171.9582 245 N 4.4671 8.6950 128.3803 54.1928 43.9633 173.8598 246 N 5.1282 7.3199 113.4915 52.3742 45.7800 177.1116 247 R 4.4038 7.2121 116.3127 56.7012 34.9978 172.0755 248 Q 4.7663 8.9249 120.1800 55.2366 30.5785 176.4598 249 V 4.6950 8.9325 119.1796 59.8837 35.5550 173.6772 250 C 5.1581 9.9499 120.6632 55.6497 42.1536 172.9569 251 I 5.4666 8.6799 124.8900 58.5783 39.1438 175.1221 252 D 4.0644 8.6052 126.2212 53.2839 42.0377 174.4019 253 P 4.6277 0.0000 0.0000 62.9688 31.2528 176.5417 254 K 4.5204 7.7419 115.5174 56.1013 33.2707 177.0640 255 L 4.0172 7.2947 120.7801 54.1469 43.1485 177.7202 256 K 3.8825 8.6220 124.1021 59.5619 32.2136 179.2125 257 W 4.3259 8.0711 116.2592 59.3425 28.1310 178.3901 258 I 3.4592 6.8481 120.4721 64.1329 36.5625 177.9618 259 Q 3.9560 8.2124 119.1939 59.1176 28.5908 178.7406 260 E 3.9821 8.3718 119.4976 59.6940 29.5402 178.9384 261 Y 4.0041 8.2575 119.2898 60.6496 38.7102 177.9652 262 L 3.9623 8.2124 118.8302 57.9950 42.1323 179.0357 263 E 4.0934 8.7365 118.6274 59.5091 29.4453 179.5722 264 K 4.1550 8.5151 118.2207 58.7460 30.7856 178.9040 265 C 4.0215 7.8246 119.5755 62.2976 31.1486 175.4446 266 L 4.2106 7.3373 118.4639 57.1818 41.1510 178.4965 267 N 4.5285 7.2211 116.2861 55.4486 39.4207 174.8145 268 K 4.1324 8.1898 122.9866 56.9565 32.9852 176.2579 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 K 8.31 4.25 0.00 1.73 1.86 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.53 7.81 202 P 0.00 4.36 0.00 2.11 2.00 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 203 V 8.80 3.86 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 0.70 0.00 0.00 0.91 0.00 0.00 204 S 7.69 4.48 0.00 3.76 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 0.00 205 L 8.55 4.07 0.00 1.58 1.66 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 206 S 7.11 4.43 0.00 4.01 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 0.00 207 Y 8.45 4.28 0.00 2.95 3.13 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 0.00 0.00 0.00 0.00 208 R 7.65 4.72 0.00 1.69 1.73 0.00 3.26 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 209 C 8.45 4.77 0.00 3.09 3.18 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 0.00 210 P 0.00 4.28 0.00 2.18 2.20 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.01 0.00 211 C 7.94 4.74 0.00 3.20 3.32 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 0.00 212 R 8.71 3.86 0.00 1.71 1.93 0.00 3.30 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.35 0.00 213 F 7.94 4.86 0.00 2.98 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 0.00 214 F 7.96 5.12 0.00 2.99 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 0.00 215 E 9.73 4.54 0.00 2.26 2.05 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 2.36 2.34 0.00 216 S 8.75 4.56 0.00 4.04 4.19 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 0.00 217 H 9.53 4.00 0.00 3.44 3.48 0.00 5.84 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 V 8.38 3.29 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.10 0.00 0.00 219 A 7.97 4.41 1.18 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 0.00 0.00 220 R 7.76 2.98 0.00 0.67 1.20 0.00 3.18 0.00 0.00 2.96 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.77 0.00 221 A 7.56 4.08 1.18 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 0.00 0.00 222 N 8.11 4.75 0.00 2.72 2.85 0.00 0.00 6.71 8.39 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 0.00 223 V 7.17 4.49 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 0.57 0.00 0.00 1.00 0.00 0.00 224 K 8.96 4.27 0.00 1.53 1.86 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.49 7.81 225 H 7.33 4.61 0.00 3.14 3.37 0.00 5.40 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 L 8.59 5.24 0.00 1.48 1.59 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 227 K 8.93 4.54 0.00 1.81 1.73 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.42 7.81 228 I 8.56 4.95 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.76 0.90 0.00 0.00 229 L 8.98 4.73 0.00 1.69 1.72 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 230 N 8.79 5.15 0.00 2.69 2.73 0.00 0.00 7.21 7.94 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 0.00 231 T 8.40 4.16 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 0.00 232 P 0.00 4.69 0.00 2.43 2.28 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 233 N 8.51 4.66 0.00 2.80 2.92 0.00 0.00 6.69 7.49 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 0.00 234 C 8.03 4.90 0.00 2.91 2.87 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 0.00 235 A 8.23 4.07 1.16 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 0.00 0.00 236 C 8.20 4.20 0.00 2.95 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 0.00 237 Q 8.51 4.11 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.52 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 238 I 8.17 4.82 1.77 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 1.19 0.94 0.85 0.00 0.00 239 V 9.12 4.77 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 1.13 0.00 0.00 0.95 0.00 0.00 240 A 9.33 5.18 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 0.00 241 R 8.29 4.70 0.00 1.86 1.57 0.00 3.11 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 242 L 8.26 4.35 0.00 1.72 1.58 1.02 0.79 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 0.00 243 K 8.93 3.96 0.00 1.60 1.81 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.43 7.81 244 N 7.69 4.68 0.00 2.79 2.65 0.00 0.00 7.16 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 0.00 245 N 8.69 4.47 0.00 2.63 2.72 0.00 0.00 7.04 7.79 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 0.00 246 N 7.32 5.13 0.00 2.68 2.67 0.00 0.00 6.74 7.66 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 0.00 247 R 7.21 4.40 0.00 1.87 1.92 0.00 3.01 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 248 Q 8.92 4.77 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 249 V 8.93 4.69 2.27 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 0.64 0.00 0.00 1.02 0.00 0.00 250 C 9.95 5.16 0.00 2.96 3.07 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 0.00 0.00 0.00 251 I 8.68 5.47 1.77 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 2.07 0.62 0.00 0.00 252 D 8.61 4.06 0.00 2.88 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 0.00 253 P 0.00 4.63 0.00 2.10 2.12 0.00 3.39 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.00 0.00 254 K 7.74 4.52 0.00 1.86 1.76 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.22 7.81 255 L 7.29 4.02 0.00 1.14 1.03 0.81 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 256 K 8.62 3.88 0.00 1.81 1.88 0.00 1.82 0.00 0.00 1.95 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.49 7.81 257 W 8.07 4.33 0.00 3.61 3.29 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 0.00 258 I 6.85 3.46 1.64 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.39 0.74 0.00 0.00 259 Q 8.21 3.96 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 260 E 8.37 3.98 0.00 2.33 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 2.66 2.59 0.00 261 Y 8.26 4.00 0.00 3.42 3.22 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 0.00 262 L 8.21 3.96 0.00 1.79 1.73 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 263 E 8.74 4.09 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 2.32 2.56 0.00 264 K 8.52 4.16 0.00 1.62 1.79 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.73 1.59 7.81 265 C 7.82 4.02 0.00 2.83 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 0.00 266 L 7.34 4.21 0.00 1.82 1.70 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 267 N 7.22 4.53 0.00 2.82 2.99 0.00 0.00 7.19 6.55 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 0.00 268 K 8.19 4.13 0.00 1.83 1.73 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.46 1.29 7.81