NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9340 8.3549 109.7361 45.1329 0.0000 173.3783 3 K 3.7493 8.6059 119.9659 55.8946 32.7529 170.7156 4 V 4.4951 8.6757 122.0067 61.3605 35.4389 173.5347 5 Y 5.0772 8.8287 124.0261 56.0993 41.0629 174.6778 6 K 4.5081 8.1480 122.5212 54.5193 35.1925 174.7794 7 K 4.9539 8.4801 124.8228 54.6838 34.4635 175.8513 8 V 4.5220 8.7501 117.6753 59.4800 35.2526 174.2543 9 E 5.0068 8.7689 125.0153 54.9821 30.5041 174.8975 10 L 4.8803 8.8879 126.8066 52.8427 45.8608 175.8441 11 V 4.6705 8.2524 119.9976 61.2117 33.6062 175.0814 12 G 4.5837 9.0642 116.2334 45.1372 0.0000 172.0518 13 T 5.7989 8.0586 112.0090 59.0457 72.1868 172.9470 14 S 4.6716 8.2372 114.7406 57.8057 65.2981 175.4610 15 E 4.4341 8.9690 124.2607 57.8319 29.9056 178.0438 16 E 4.1834 8.5615 118.7026 57.0897 30.1747 176.6473 17 G 3.2927 7.2141 105.0333 44.4031 0.0000 173.0504 18 L 3.7700 7.2695 118.1184 57.7975 41.4573 179.4474 19 E 3.8936 8.0058 117.7771 59.4311 29.4688 179.1764 20 A 3.9300 7.8854 120.0054 54.9590 18.4876 179.3984 21 A 3.9323 7.8938 119.1569 55.2724 18.4618 179.8871 22 I 3.4550 7.7193 118.2623 64.7136 37.0987 178.7307 23 Q 3.9067 8.3152 118.8819 58.7522 28.4646 178.8450 24 A 3.9104 8.0860 121.6847 54.9686 18.4115 179.5029 25 A 3.8710 7.8143 118.7859 55.4118 18.5598 179.7755 26 L 3.8711 7.8664 117.2760 57.6558 41.4063 179.5810 27 A 3.9636 8.0111 120.4485 55.0354 18.6447 179.3897 28 R 3.9099 7.9687 117.0078 59.4430 30.1042 178.5117 29 A 3.8891 8.0386 120.6628 55.2182 18.4438 179.5358 30 R 3.7973 8.0868 116.5541 58.8348 29.8474 178.7756 31 K 3.9663 7.7142 118.0696 58.8533 32.0896 177.5516 32 T 4.5213 7.2713 103.3139 60.4622 70.3237 173.6615 33 L 4.5137 7.8649 122.2212 52.8132 43.8546 175.9415 34 R 4.4810 8.0506 120.6523 55.7214 32.6963 175.0127 35 H 4.1947 8.4575 113.5364 56.9125 25.9675 175.0790 36 L 4.5130 8.1460 119.1683 55.3535 42.1146 175.5790 37 D 5.2096 9.3408 122.5555 55.2146 43.1437 176.1791 38 W 5.5352 7.9047 113.3413 54.9828 32.0525 173.0134 39 F 5.3918 8.3721 114.1895 55.2127 41.0739 173.8238 40 E 4.7384 9.2287 118.7818 54.5574 33.1788 175.1858 41 V 4.2019 8.7421 125.2410 63.1162 31.6825 175.5230 42 K 4.4398 9.2686 128.1180 58.4953 33.1960 176.9657 43 E 4.8273 7.9455 116.7227 55.0459 34.3478 174.2314 44 I 4.8956 8.3678 122.6569 59.8971 39.7555 174.9891 45 R 4.7287 9.0442 125.4957 54.7288 35.0349 173.8126 46 G 4.2217 8.0201 106.3156 46.8954 0.0000 172.5360 47 T 4.7498 7.9593 110.0710 60.0673 71.6242 173.6293 48 I 4.8601 8.2045 122.5522 59.9458 40.2048 175.7133 49 G 4.0245 8.9532 113.7896 44.6729 0.0000 172.5471 50 E 3.9000 9.0280 117.3904 58.7949 29.5512 177.7180 51 A 4.6848 8.1091 119.1629 51.8247 20.8330 175.7805 52 G 3.9860 7.6584 109.9463 44.9683 0.0000 177.8175 53 V 3.7531 8.3437 123.6844 62.7411 30.9983 174.2550 54 K 4.2230 8.6211 129.9572 57.7180 32.9524 175.1871 55 E 5.0301 8.2147 117.7759 54.4645 33.0560 174.4717 56 Y 4.5717 9.0057 122.9285 57.9307 39.6202 174.7864 57 Q 4.7494 9.4423 122.5938 54.3386 32.4986 174.4199 58 V 4.6297 8.8164 125.8370 61.0831 33.7984 174.6196 59 V 4.7091 8.7546 129.6165 61.8767 32.6184 174.7054 60 L 5.3159 9.0359 127.7743 54.1796 44.5040 174.9683 61 E 4.9282 9.2297 120.3166 55.1879 31.7049 175.2350 62 V 4.4850 8.9227 124.3391 60.9997 34.3186 174.2007 63 G 3.0850 8.0703 116.0735 44.0276 0.0000 172.3681 64 F 5.7754 8.7173 118.8978 54.8204 41.7715 173.8123 65 A 4.2463 8.9096 123.5820 51.8772 18.9632 177.1006 66 L 4.3990 8.3442 123.1462 53.8628 42.5326 177.2589 67 E 4.1338 8.8060 123.0856 55.8510 30.2542 176.7908 68 E 4.1302 8.4847 121.3546 56.7777 30.2844 177.3796 69 T 4.1644 8.2714 109.8978 61.9905 69.1683 174.6969 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 2 G 8.35 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.61 3.75 0.00 1.75 1.33 0.00 1.68 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.44 7.81 4 V 8.68 4.50 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 1.09 0.00 0.00 0.96 0.00 0.00 5 Y 8.83 5.08 0.00 3.01 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 6 K 8.15 4.51 0.00 1.46 0.74 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.16 1.25 7.81 7 K 8.48 4.95 0.00 1.64 1.80 0.00 2.02 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.11 1.43 7.81 8 V 8.75 4.52 2.14 0.00 0.00 0.00 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 1.04 0.00 0.00 9 E 8.77 5.01 0.00 2.11 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 0.00 2.22 2.38 0.00 10 L 8.89 4.88 0.00 1.56 1.48 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.25 4.67 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 12 G 9.06 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.06 5.80 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 1.22 0.00 0.00 14 S 8.24 4.67 0.00 3.89 3.88 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 15 E 8.97 4.43 0.00 2.04 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 0.00 2.54 2.36 0.00 16 E 8.56 4.18 0.00 1.96 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 2.34 2.27 0.00 17 G 7.21 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 0.00 0.00 0.00 18 L 7.27 3.77 0.00 1.55 1.63 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.01 3.89 0.00 1.98 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 2.42 0.00 20 A 7.89 3.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.89 3.93 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 22 I 7.72 3.46 1.84 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 1.36 0.56 0.28 0.00 0.00 23 Q 8.32 3.91 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 24 A 8.09 3.91 1.34 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 0.00 0.00 25 A 7.81 3.87 1.31 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 0.00 0.00 26 L 7.87 3.87 0.00 1.61 1.65 0.67 0.68 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 27 A 8.01 3.96 1.32 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 0.00 0.00 28 R 7.97 3.91 0.00 1.92 2.04 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.04 3.89 1.30 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 0.00 0.00 0.00 30 R 8.09 3.80 0.00 1.94 2.11 0.00 3.08 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 K 7.71 3.97 0.00 1.88 1.82 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.62 7.81 32 T 7.27 4.52 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 1.17 0.00 0.00 33 L 7.86 4.51 0.00 1.37 0.91 0.33 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.05 4.48 0.00 1.70 1.50 0.00 3.28 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 35 H 8.46 4.19 0.00 3.68 3.52 0.00 5.62 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.15 4.51 0.00 1.66 1.66 0.83 0.87 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 37 D 9.34 5.21 0.00 3.12 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.90 5.54 0.00 3.24 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 F 8.37 5.39 0.00 3.02 2.94 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 0.00 0.00 0.00 40 E 9.23 4.74 0.00 1.98 1.93 0.00 0.00 0.00 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 2.50 0.00 41 V 8.74 4.20 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 0.83 0.00 0.00 1.12 0.00 0.00 42 K 9.27 4.44 0.00 1.77 1.87 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.59 7.81 43 E 7.95 4.83 0.00 1.89 1.80 0.00 0.00 0.00 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 2.36 0.00 44 I 8.37 4.90 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.65 1.00 0.00 0.00 45 R 9.04 4.73 0.00 1.70 1.81 0.00 3.53 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 46 G 8.02 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 0.00 0.00 0.00 0.00 47 T 7.96 4.75 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 48 I 8.20 4.86 1.84 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 1.22 0.63 0.94 0.00 0.00 49 G 8.95 4.02 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 0.00 0.00 0.00 50 E 9.03 3.90 0.00 1.96 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 0.00 2.31 2.30 0.00 51 A 8.11 4.68 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 52 G 7.66 3.99 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 0.00 0.00 0.00 53 V 8.34 3.75 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.68 0.00 0.00 54 K 8.62 4.22 0.00 1.86 1.75 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.37 7.81 55 E 8.21 5.03 0.00 1.87 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 2.18 2.37 0.00 56 Y 9.01 4.57 0.00 3.01 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 57 Q 9.44 4.75 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.82 4.63 2.07 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 0.94 0.00 0.00 0.95 0.00 0.00 59 V 8.75 4.71 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 0.90 0.00 0.00 0.95 0.00 0.00 60 L 9.04 5.32 0.00 1.99 1.74 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.23 4.93 0.00 1.90 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 0.00 2.30 2.43 0.00 62 V 8.92 4.48 2.07 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 1.01 0.00 0.00 0.90 0.00 0.00 63 G 8.07 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.72 5.78 0.00 3.31 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.91 4.25 1.13 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 0.00 0.00 66 L 8.34 4.40 0.00 1.51 1.57 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.81 4.13 0.00 2.00 1.90 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 2.34 2.41 0.00 68 E 8.48 4.13 0.00 1.94 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 2.29 2.27 0.00 69 T 8.27 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 1.21 0.00 0.00