NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.1121 8.3349 116.7575 58.7009 63.5164 173.2423 2 H 4.3790 7.9128 125.4341 55.7994 28.9160 174.1274 3 Y 4.7634 8.2713 119.2634 56.4937 39.2282 175.6820 4 E 4.2366 8.7436 124.5983 56.7208 30.2308 175.7801 5 E 4.5858 8.2759 118.5630 55.3673 33.9276 175.5355 6 G 3.9120 8.8486 105.6490 43.8707 0.0000 170.9107 7 P 4.2288 0.0000 0.0000 64.3155 31.3986 177.0711 8 G 3.8235 8.8991 109.8028 45.8759 0.0000 173.7941 9 K 4.4517 8.0508 116.6120 55.7385 33.6287 176.2691 10 N 4.8923 7.9909 115.8183 52.1078 37.9482 174.4178 11 I 4.5389 7.0455 111.0896 58.9715 40.3874 173.8437 12 P 4.4453 0.0000 0.0000 63.4971 31.4317 175.8610 13 F 4.9764 6.7679 113.1741 54.6929 40.5078 174.8109 14 S 4.1823 8.7153 117.6411 58.4818 62.7031 174.1249 15 V 4.4706 8.0426 125.5375 61.4863 31.6598 176.4439 16 E 3.9874 8.0226 122.7928 58.8463 29.5961 177.2053 17 N 4.9201 7.9214 117.4274 51.1355 41.3592 174.6624 18 K 3.6711 8.6518 128.5933 59.9394 32.2480 178.6995 19 W 4.4108 8.8952 119.9517 59.1150 29.2213 178.6263 20 R 4.0471 8.2739 118.3658 59.0121 29.5183 178.2484 21 L 3.9543 8.0142 120.5183 58.0502 42.2792 178.3785 22 L 3.8920 7.8382 119.8958 58.2646 41.8455 179.0476 23 A 4.0145 7.8770 120.0325 55.4627 18.5201 179.3227 24 M 4.0018 8.1120 117.1241 58.9887 32.0638 179.0072 25 M 3.9721 8.6894 118.9109 58.7070 32.1575 178.9763 26 T 4.0121 7.8903 115.3805 66.7180 68.5611 176.7838 27 L 4.0671 8.1292 120.9245 58.1594 41.5010 178.6119 28 F 4.0441 8.3674 120.8118 61.4594 39.1937 177.1071 29 F 4.3143 8.6244 117.7420 60.0668 38.8934 178.1072 30 G 3.7053 8.3199 106.0812 47.9556 0.0000 175.8876 31 S 4.3163 8.5606 118.1391 60.6590 62.5794 176.7889 32 G 3.4876 7.5667 108.4649 47.8063 0.0000 175.2275 33 F 4.3878 8.1891 122.3553 60.6826 39.7663 176.7053 34 A 4.4947 8.5056 120.4415 54.6397 18.3087 179.0721 35 A 4.0454 8.0444 119.6908 55.3649 18.3919 178.0053 36 P 4.1079 0.0000 0.0000 65.6530 31.3525 178.7396 37 F 3.8951 7.8416 116.1686 60.7464 38.9208 177.8748 38 F 4.1292 8.3736 116.2669 60.0040 38.6892 177.8192 39 I 3.8014 7.8251 120.1600 64.3313 36.8768 178.4346 40 V 3.5594 7.7489 119.1664 65.8094 31.2598 177.9620 41 R 3.8243 8.0492 118.4719 59.6406 29.7135 177.7097 42 H 4.1327 8.0904 116.5842 59.5411 29.7036 176.8099 43 Q 4.0335 8.1791 119.4098 59.1481 28.4127 178.7332 44 L 4.0471 7.9767 118.7152 57.1858 42.3247 178.3948 45 L 4.5524 7.7769 119.1937 53.2792 41.5696 176.8069 46 K 4.6135 6.9464 115.2925 54.6601 36.6467 177.1396 47 K 3.9653 8.4212 121.9014 57.4123 32.2173 174.3424 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 S 8.33 4.11 0.00 3.79 3.69 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 0.00 0.00 0.00 2 H 7.91 4.38 0.00 3.06 3.20 0.00 5.69 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.27 4.76 0.00 2.97 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 4 E 8.74 4.24 0.00 1.98 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 2.35 2.30 0.00 5 E 8.28 4.59 0.00 1.90 1.79 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 2.22 2.50 0.00 6 G 8.85 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.23 0.00 2.02 2.03 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 8 G 8.90 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 0.00 0.00 0.00 9 K 8.05 4.45 0.00 1.81 1.77 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.43 7.81 10 N 7.99 4.89 0.00 2.75 2.82 0.00 0.00 5.86 7.81 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 11 I 7.05 4.54 1.05 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.36 0.77 0.00 0.00 12 P 0.00 4.45 0.00 2.24 2.20 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.00 0.00 13 F 6.77 4.98 0.00 3.21 2.88 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 0.00 0.00 0.00 14 S 8.72 4.18 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.04 4.47 1.92 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 0.75 0.00 0.00 0.97 0.00 0.00 16 E 8.02 3.99 0.00 1.94 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 0.00 2.33 2.39 0.00 17 N 7.92 4.92 0.00 2.76 2.70 0.00 0.00 6.94 6.24 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 18 K 8.65 3.67 0.00 1.55 1.80 0.00 1.15 0.00 0.00 1.14 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.82 0.21 7.81 19 W 8.90 4.41 0.00 3.54 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.27 4.05 0.00 1.95 1.98 0.00 3.22 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 21 L 8.01 3.95 0.00 1.84 1.79 1.18 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.84 3.89 0.00 1.97 1.89 1.18 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.88 4.01 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 24 M 8.11 4.00 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.60 0.00 25 M 8.69 3.97 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.43 0.00 26 T 7.89 4.01 4.67 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 0.00 0.00 0.00 1.30 0.00 0.00 27 L 8.13 4.07 0.00 1.93 1.75 1.01 0.77 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 28 F 8.37 4.04 0.00 2.97 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 29 F 8.62 4.31 0.00 3.21 3.05 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 30 G 8.32 3.71 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 0.00 0.00 0.00 31 S 8.56 4.32 0.00 3.99 4.17 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 32 G 7.57 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 0.00 0.00 0.00 33 F 8.19 4.39 0.00 3.06 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.51 4.49 1.62 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 0.00 0.00 35 A 8.04 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.11 0.00 1.67 1.86 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 37 F 7.84 3.90 0.00 3.14 2.81 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 0.00 0.00 0.00 38 F 8.37 4.13 0.00 3.20 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 39 I 7.83 3.80 2.02 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 1.42 0.92 0.91 0.00 0.00 40 V 7.75 3.56 2.17 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 1.03 0.00 0.00 0.81 0.00 0.00 41 R 8.05 3.82 0.00 1.93 2.09 0.00 3.13 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 42 H 8.09 4.13 0.00 3.27 3.59 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.18 4.03 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.51 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 44 L 7.98 4.05 0.00 1.80 1.74 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.78 4.55 0.00 1.61 1.66 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 46 K 6.95 4.61 0.00 1.80 1.60 0.00 1.34 0.00 0.00 1.47 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.37 7.81 47 K 8.42 3.97 0.00 1.65 1.60 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.17 1.25 7.81