NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4572 8.1076 122.4619 50.8825 20.4007 175.5308 2 T 4.3905 7.6805 106.3610 59.0377 71.4755 168.2731 3 V 4.2130 9.3294 125.5020 61.3506 33.9558 176.0194 4 K 4.6806 8.7917 128.7552 55.3862 32.5360 175.7877 5 F 5.1733 8.6007 121.6534 54.4167 40.2903 175.2858 6 K 3.9338 8.9053 122.6163 57.5848 32.9204 174.1900 7 Y 4.6814 8.6841 121.7641 56.6220 43.0253 177.6031 8 K 4.0712 8.8716 119.2826 56.5161 33.7059 178.6623 9 G 4.0608 9.0232 113.8137 44.4524 0.0000 175.2244 10 E 4.3321 7.6283 118.1435 55.2829 33.1494 174.4330 11 E 4.5950 8.6720 126.2536 54.7363 30.8057 175.0161 12 K 4.2118 8.1826 127.6644 54.8763 34.0584 175.5154 13 Q 4.8453 8.5090 127.0248 54.8580 29.9316 174.9100 14 V 4.5036 8.4477 126.3488 59.8145 34.6471 175.2028 15 D 4.7338 8.5978 123.5411 53.7552 41.5116 177.2750 16 I 3.6155 8.0724 122.5417 64.0735 38.2530 178.4268 17 S 4.1619 8.0905 113.6380 61.2981 63.0317 175.2538 18 K 4.1575 7.7652 118.1581 57.2523 32.0129 176.5283 19 I 4.2021 7.2596 120.5127 60.6073 36.6656 175.6812 20 K 4.2681 8.8308 128.1056 58.7922 32.8384 177.4562 21 K 4.9427 8.0635 119.3230 54.5172 36.0895 175.6352 22 V 5.0715 8.7923 124.2822 59.6092 33.5977 175.0780 23 W 5.3476 8.5469 120.3961 54.9415 31.7428 174.4735 24 R 4.3235 8.8733 121.3228 54.9412 28.6273 176.5209 25 V 3.9320 8.5346 124.1266 63.3990 32.6991 177.0239 26 G 3.9010 7.3044 114.9361 46.1163 0.0000 174.0597 27 K 4.0979 8.4112 123.9249 58.2367 33.2326 176.4922 28 M 4.9776 7.8330 116.8698 53.3431 36.5709 174.9670 29 I 4.5676 8.3443 119.8147 59.7452 40.1589 174.9396 30 S 4.5164 7.7207 122.0402 57.0616 64.1221 172.8907 31 F 5.1414 7.9464 120.1031 55.4916 41.7736 173.3066 32 T 4.6113 9.1715 113.1159 60.4955 70.3027 172.7459 33 Y 5.1725 8.2805 125.7893 55.5439 40.2484 174.6004 34 D 5.0926 8.6455 122.3289 53.7171 42.2221 175.8885 35 E 4.9349 8.3446 118.2653 55.8929 32.8429 174.9262 36 G 3.9492 7.1803 112.9508 46.1479 0.0000 177.3085 37 G 3.7542 9.0970 110.6839 44.2157 0.0000 173.1968 38 G 3.7927 8.0121 110.4303 46.6190 0.0000 173.8786 39 K 4.2759 7.4223 117.4393 54.8878 34.5010 175.2066 40 T 4.5493 8.3187 119.1367 60.6027 68.3413 174.2563 41 G 3.5168 8.0378 116.2847 45.3946 0.0000 172.3668 42 R 4.4422 8.3499 123.5993 54.4665 31.7726 175.3354 43 G 3.4753 7.7895 113.9626 44.5214 0.0000 171.0235 44 A 5.1155 7.4965 119.7318 50.4630 22.4483 176.3679 45 V 4.5106 8.5323 119.8009 60.2130 35.2079 175.3721 46 S 4.5355 8.7577 120.7193 58.1943 64.1372 175.3862 47 E 3.8815 8.3170 120.2452 59.8906 29.2403 179.7351 48 K 4.1032 7.9485 116.5258 59.4121 32.1981 178.3976 49 D 4.5550 8.0761 116.9664 56.0074 41.3100 176.3862 50 A 4.0886 7.4432 123.1236 51.2441 18.1054 174.9946 51 P 4.4353 0.0000 0.0000 64.4596 32.5171 176.4278 52 K 4.6594 7.6912 116.9147 57.0322 38.9166 177.9805 53 E 3.9620 8.4049 117.9579 59.5603 29.5430 179.4399 54 L 3.9815 7.7869 116.5975 57.6372 40.6331 178.6656 55 L 4.1446 7.9462 118.3786 57.8289 41.8923 179.3062 56 Q 4.2459 7.7871 116.9303 59.2473 28.7314 177.8882 57 M 4.3333 7.6959 114.8996 58.5807 32.0462 178.8447 58 L 4.1233 7.8643 116.2194 56.6000 42.2598 176.8699 59 E 4.7460 7.1281 118.0958 54.7116 29.9104 175.1141 60 K 4.5797 7.7569 120.8898 57.6338 39.9958 175.5845 61 Q 4.0437 7.3902 117.9279 56.3645 28.7491 176.3666 62 K 4.0558 7.9779 126.4953 57.3988 32.0346 175.2451 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 1 A 8.11 4.46 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 2 T 7.68 4.39 4.22 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 1.23 0.00 0.00 3 V 9.33 4.21 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 0.90 0.00 0.00 0.80 0.00 0.00 4 K 8.79 4.68 0.00 1.68 1.91 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.42 7.81 5 F 8.60 5.17 0.00 3.11 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.91 3.93 0.00 1.82 1.88 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.42 7.81 7 Y 8.68 4.68 0.00 2.63 2.86 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 8 K 8.87 4.07 0.00 1.78 1.48 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.21 1.15 7.81 9 G 9.02 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 0.00 0.00 0.00 10 E 7.63 4.33 0.00 2.05 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 11 E 8.67 4.59 0.00 1.93 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 2.16 2.17 0.00 12 K 8.18 4.21 0.00 0.79 1.21 0.00 1.45 0.00 0.00 1.33 0.00 0.00 2.57 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.91 0.88 7.81 13 Q 8.51 4.85 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.67 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 14 V 8.45 4.50 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 0.90 0.00 0.00 0.42 0.00 0.00 15 D 8.60 4.73 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.07 3.62 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.27 0.90 0.00 0.00 17 S 8.09 4.16 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.77 4.16 0.00 2.18 2.16 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.45 7.81 19 I 7.26 4.20 1.84 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.64 0.93 0.00 0.00 20 K 8.83 4.27 0.00 1.89 2.01 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.47 7.81 21 K 8.06 4.94 0.00 2.08 1.88 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.43 7.81 22 V 8.79 5.07 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 0.87 0.00 0.00 0.85 0.00 0.00 23 W 8.55 5.35 0.00 3.39 3.24 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 24 R 8.87 4.32 0.00 1.96 2.04 0.00 3.07 0.00 0.00 3.31 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 25 V 8.53 3.93 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 0.87 0.00 0.00 1.06 0.00 0.00 26 G 7.30 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 27 K 8.41 4.10 0.00 1.84 1.87 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.47 7.81 28 M 7.83 4.98 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 29 I 8.34 4.57 1.93 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 1.08 1.06 0.86 0.00 0.00 30 S 7.72 4.52 0.00 3.58 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.95 5.14 0.00 3.07 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 32 T 9.17 4.61 4.30 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 0.00 0.00 0.00 1.41 0.00 0.00 33 Y 8.28 5.17 0.00 3.35 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.65 5.09 0.00 2.80 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.34 4.93 0.00 2.27 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 0.00 2.33 2.27 0.00 36 G 7.18 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 37 G 9.10 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.01 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 39 K 7.42 4.28 0.00 1.72 1.69 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.35 7.81 40 T 8.32 4.55 4.21 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 0.00 0.00 0.00 1.18 0.00 0.00 41 G 8.04 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.35 4.44 0.00 1.71 1.75 0.00 3.33 0.00 0.00 3.29 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.53 0.00 43 G 7.79 3.48 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 0.00 0.00 0.00 0.00 44 A 7.50 5.12 1.05 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 0.00 0.00 45 V 8.53 4.51 2.13 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 0.84 0.00 0.00 1.04 0.00 0.00 46 S 8.76 4.54 0.00 3.82 3.85 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 47 E 8.32 3.88 0.00 2.03 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 2.53 2.49 0.00 48 K 7.95 4.10 0.00 1.73 1.88 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 49 D 8.08 4.55 0.00 2.67 2.95 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 50 A 7.44 4.09 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.44 0.00 2.18 2.10 0.00 3.74 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 1.96 1.93 0.00 52 K 7.69 4.66 0.00 1.74 1.73 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.45 7.81 53 E 8.40 3.96 0.00 2.02 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 2.38 2.32 0.00 54 L 7.79 3.98 0.00 1.54 1.65 0.62 0.85 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 55 L 7.95 4.14 0.00 1.83 1.70 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.79 4.25 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 57 M 7.70 4.33 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 58 L 7.86 4.12 0.00 1.65 1.75 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.13 4.75 0.00 1.88 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 2.20 2.20 0.00 60 K 7.76 4.58 0.00 1.70 1.85 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.36 7.81 61 Q 7.39 4.04 0.00 2.24 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.45 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 62 K 7.98 4.06 0.00 1.67 1.61 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.35 7.81