NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 200 K 4.2443 8.3144 121.7883 56.4138 33.3718 174.7059 201 R 4.2055 7.7999 122.5109 54.1848 32.3799 172.8529 202 Q 4.1647 8.1464 124.1192 59.0010 29.8149 177.9386 203 T 4.4607 7.6314 115.2436 63.9405 67.6609 175.8680 204 E 4.0166 8.0316 120.8654 59.1320 30.0235 178.0434 205 R 3.9416 7.6921 119.0806 59.3210 30.1280 178.3620 206 E 4.0279 8.7345 118.9702 58.8677 29.3461 179.1878 207 K 3.8905 8.0499 119.9517 59.2761 32.3335 178.5094 208 K 3.8219 7.9402 119.9161 59.6320 32.0627 178.3622 209 K 3.8167 7.8131 117.9847 59.5614 32.0427 178.7269 210 K 3.7993 8.0938 119.3477 59.9715 31.8738 178.5667 211 I 3.7164 7.8533 118.8974 64.5090 37.2152 178.2336 212 L 4.1332 8.4793 119.8428 57.6433 41.4828 179.3674 213 A 3.9995 8.5891 121.0732 55.2421 18.1657 179.5001 214 E 4.0608 8.6293 115.7578 58.8942 29.7727 179.1200 215 R 4.1651 7.7481 117.8317 57.9009 29.7932 178.5134 216 R 3.9047 7.7000 118.6671 59.4336 30.1644 178.7024 217 K 3.9550 8.0663 117.5948 60.2382 31.9732 179.0184 218 V 3.7441 7.7643 118.7932 65.5598 31.3090 177.4993 219 L 4.1445 7.9129 116.9081 56.1432 41.8836 177.3474 220 A 4.6077 7.5086 119.9538 52.7605 20.8365 177.6709 221 I 4.2122 8.4092 116.2541 63.4150 38.1595 177.7285 222 D 4.5567 7.6450 117.2595 56.4462 40.6643 176.7313 223 H 4.8315 8.0647 112.4886 55.0843 29.8372 174.8290 224 L 4.0444 7.3405 120.3514 54.5846 42.1455 176.8883 225 N 4.7387 8.3006 119.5476 51.7974 40.1563 175.6893 226 E 3.9133 8.7312 120.8955 59.9610 29.3864 178.1418 227 D 4.2828 8.1229 117.3578 57.5433 41.4437 178.0490 228 Q 4.0352 9.3886 118.8827 58.6320 28.6522 178.8722 229 L 3.9087 8.2905 121.9333 58.3106 42.0566 179.2684 230 R 3.8972 7.8697 117.8152 59.3275 29.5111 178.7682 231 E 3.9458 8.2382 119.0210 58.8115 29.4882 178.6754 232 K 4.0585 8.5932 120.0994 59.0584 32.4192 178.6229 233 A 4.0633 8.3102 121.2745 54.9737 18.2035 179.7863 234 K 4.0686 7.9181 117.4137 59.3234 32.2236 179.0865 235 E 3.9930 7.8400 118.5509 59.2525 29.5903 178.8715 236 L 3.9705 8.3281 119.2341 57.5824 41.6903 178.9367 237 W 4.0627 8.0427 127.7696 60.7014 30.5105 177.4998 238 Q 4.1205 8.4776 119.0930 59.7392 28.5271 178.4132 239 T 3.8619 7.8737 116.4790 66.9355 68.5360 176.4967 240 I 3.5834 8.1118 121.7997 64.3340 37.0110 177.8707 241 Y 3.5535 7.5943 120.5449 60.6805 38.5138 177.8818 242 N 4.2175 8.4812 117.7583 56.3240 38.5944 177.4803 243 L 3.9206 7.9427 120.3938 57.6253 41.7121 179.0995 244 E 3.9490 8.0890 119.1115 58.8300 29.4698 178.8851 245 A 3.7557 7.5360 120.9738 55.2618 18.5261 179.4893 246 E 3.9528 8.2937 117.2509 59.3106 29.4457 179.6532 247 K 3.9092 8.4847 120.3231 59.2369 32.2640 178.5146 248 F 4.0001 8.0638 120.9026 61.4009 39.2740 176.4990 249 D 4.4498 8.2020 118.2833 57.7075 40.6861 178.9308 250 L 3.9357 7.8832 119.0397 58.1090 41.6116 179.7831 251 Q 3.9144 7.9842 117.6888 59.0065 28.6226 178.6709 252 E 3.8238 8.2519 119.9540 59.0230 29.3743 179.3329 253 K 3.8719 8.6814 120.1843 59.4931 32.1073 178.3242 254 F 4.2089 8.5051 121.1827 60.5947 39.5226 177.0033 255 K 4.1134 8.1639 117.7442 59.4570 31.9208 178.7672 256 Q 3.9323 7.9575 119.7927 59.7395 29.0271 178.8572 257 Q 4.0069 8.3822 118.9214 58.6999 28.5260 179.2289 258 K 3.8730 7.6414 119.5849 59.5416 32.0267 178.6244 259 Y 3.9517 7.9301 119.1631 60.6568 38.7878 177.5500 260 E 3.9058 8.3102 119.3903 59.7298 29.6801 179.3677 261 I 3.6394 8.2532 119.9815 64.3671 37.1350 178.1150 262 N 4.1693 8.3219 118.1676 56.7440 38.9789 177.2482 263 V 3.4411 7.6463 119.7455 65.5833 31.4554 178.0672 264 L 3.9597 7.7469 119.1015 57.6842 41.4749 179.4415 265 R 3.9273 7.9419 118.0167 59.2706 29.9648 178.7855 266 N 4.2886 8.1206 116.2046 56.3546 38.5496 177.3840 267 R 3.8490 7.6883 118.8890 59.6161 30.0210 179.0776 268 I 3.6943 7.9871 118.5298 64.5100 37.1935 177.6882 269 N 4.4698 8.3980 116.8654 55.7118 38.8555 176.0150 270 D 4.6501 7.7126 119.3067 56.1648 41.5442 176.9115 271 N 4.7636 7.9415 114.4744 53.5290 38.4951 175.4845 272 Q 4.3568 7.9330 117.7482 57.9738 29.9005 177.2533 273 K 4.0336 7.8806 116.9323 58.9023 32.5431 177.0367 274 V 3.7505 7.6631 121.5464 63.2612 31.3597 175.6460 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 200 K 8.31 4.24 0.00 1.71 1.79 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.50 7.81 201 R 7.80 4.21 0.00 1.90 1.68 0.00 3.23 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 202 Q 8.15 4.16 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 203 T 7.63 4.46 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 0.00 204 E 8.03 4.02 0.00 2.12 1.91 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 2.36 2.41 0.00 205 R 7.69 3.94 0.00 2.09 2.14 0.00 3.19 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 206 E 8.73 4.03 0.00 2.09 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 2.38 0.00 207 K 8.05 3.89 0.00 1.98 1.95 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 208 K 7.94 3.82 0.00 1.88 1.98 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.50 7.81 209 K 7.81 3.82 0.00 2.05 1.85 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.46 7.81 210 K 8.09 3.80 0.00 1.87 2.00 0.00 1.85 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.65 7.81 211 I 7.85 3.72 1.99 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 1.52 0.83 0.91 0.00 0.00 212 L 8.48 4.13 0.00 1.84 1.70 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 213 A 8.59 4.00 1.33 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 0.00 0.00 214 E 8.63 4.06 0.00 2.06 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 0.00 2.35 2.56 0.00 215 R 7.75 4.17 0.00 2.02 1.97 0.00 3.15 0.00 0.00 3.16 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 216 R 7.70 3.90 0.00 1.91 2.01 0.00 3.14 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 217 K 8.07 3.96 0.00 1.99 2.09 0.00 1.52 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.51 7.81 218 V 7.76 3.74 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 1.12 0.00 0.00 0.94 0.00 0.00 219 L 7.91 4.14 0.00 1.83 1.69 0.91 0.78 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 0.00 220 A 7.51 4.61 1.35 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 0.00 0.00 0.00 221 I 8.41 4.21 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.43 0.93 0.00 0.00 222 D 7.65 4.56 0.00 2.98 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 0.00 223 H 8.06 4.83 0.00 3.26 3.37 0.00 5.53 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 L 7.34 4.04 0.00 1.60 1.58 0.90 1.19 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 0.00 225 N 8.30 4.74 0.00 2.95 2.93 0.00 0.00 6.81 7.53 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 0.00 226 E 8.73 3.91 0.00 2.04 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 0.00 2.38 2.39 0.00 227 D 8.12 4.28 0.00 2.74 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 0.00 228 Q 9.39 4.04 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 229 L 8.29 3.91 0.00 1.86 1.81 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 230 R 7.87 3.90 0.00 2.07 1.95 0.00 3.17 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 231 E 8.24 3.95 0.00 2.05 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 0.00 2.31 2.32 0.00 232 K 8.59 4.06 0.00 1.98 1.92 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.52 7.81 233 A 8.31 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 4.07 0.00 1.95 1.90 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.61 7.81 235 E 7.84 3.99 0.00 2.11 2.22 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 2.35 2.39 0.00 236 L 8.33 3.97 0.00 1.79 1.74 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 237 W 8.04 4.06 0.00 3.57 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 Q 8.48 4.12 0.00 2.57 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.54 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 239 T 7.87 3.86 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 240 I 8.11 3.58 1.71 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 1.32 0.66 0.69 0.00 0.00 241 Y 7.59 3.55 0.00 1.91 2.89 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 0.00 242 N 8.48 4.22 0.00 2.88 2.84 0.00 0.00 7.12 6.32 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 0.00 243 L 7.94 3.92 0.00 1.61 1.65 0.88 0.59 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 0.00 244 E 8.09 3.95 0.00 2.13 1.69 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 2.21 2.30 0.00 245 A 7.54 3.76 1.10 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 0.00 246 E 8.29 3.95 0.00 2.09 2.00 0.00 0.00 0.00 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 2.60 0.00 247 K 8.48 3.91 0.00 1.91 1.98 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.39 7.81 248 F 8.06 4.00 0.00 3.11 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 0.00 249 D 8.20 4.45 0.00 2.88 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 0.00 250 L 7.88 3.94 0.00 1.90 1.72 0.91 1.02 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 0.00 251 Q 7.98 3.91 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 252 E 8.25 3.82 0.00 1.99 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 1.61 2.46 0.00 253 K 8.68 3.87 0.00 1.93 2.02 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.50 7.81 254 F 8.51 4.21 0.00 3.10 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 0.00 255 K 8.16 4.11 0.00 2.00 1.84 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.53 7.81 256 Q 7.96 3.93 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 257 Q 8.38 4.01 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 258 K 7.64 3.87 0.00 1.95 1.80 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.03 7.81 259 Y 7.93 3.95 0.00 3.06 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 0.00 260 E 8.31 3.91 0.00 2.22 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 0.00 2.39 2.46 0.00 261 I 8.25 3.64 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.84 0.00 0.00 262 N 8.32 4.17 0.00 2.75 2.72 0.00 0.00 6.82 7.42 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 0.00 263 V 7.65 3.44 1.87 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 0.86 0.00 0.00 0.09 0.00 0.00 264 L 7.75 3.96 0.00 1.86 1.64 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 265 R 7.94 3.93 0.00 1.96 1.93 0.00 3.08 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 266 N 8.12 4.29 0.00 2.84 2.82 0.00 0.00 7.03 7.22 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 0.00 267 R 7.69 3.85 0.00 2.00 1.95 0.00 3.27 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.76 0.00 268 I 7.99 3.69 1.94 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 1.38 0.75 0.89 0.00 0.00 269 N 8.40 4.47 0.00 2.67 3.02 0.00 0.00 7.21 8.24 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 0.00 270 D 7.71 4.65 0.00 2.68 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 0.00 271 N 7.94 4.76 0.00 2.81 2.82 0.00 0.00 6.97 6.98 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 0.00 272 Q 7.93 4.36 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 7.08 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 273 K 7.88 4.03 0.00 1.74 1.89 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.48 7.81 274 V 7.66 3.75 2.18 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 0.74 0.00 0.00 0.98 0.00 0.00