NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 T 4.3167 8.1749 110.9436 61.0839 70.8103 172.8473 13 H 4.9097 7.8672 119.3590 53.8727 31.8153 171.4924 14 R 5.0473 9.1186 122.1076 54.4708 32.9703 175.0346 15 V 4.8890 8.3923 122.9910 61.1523 34.9635 174.0087 16 Q 5.0167 9.0450 126.7360 54.4411 33.0958 173.6376 17 I 4.8366 8.9629 125.9138 59.5164 40.7483 173.8717 18 E 5.6249 9.2628 129.3591 53.9540 31.3326 174.0150 19 Y 5.3568 8.1874 125.1028 54.9533 41.3365 175.4315 20 C 4.6478 9.7154 123.0350 57.1255 44.3373 174.2147 21 T 3.9042 8.4852 121.2076 65.4967 66.8242 176.2927 22 Q 4.0262 7.1256 120.4583 58.9311 28.7538 177.3963 23 C 4.1671 7.6078 113.8678 56.1195 40.5898 173.3322 24 R 3.8200 7.6247 118.6631 57.4981 27.8463 177.1658 25 W 5.2433 8.0051 113.8891 56.7432 29.6521 177.4700 26 L 3.3174 8.1402 123.1492 57.6249 41.6190 176.9353 27 P 4.3420 0.0000 0.0000 66.1961 31.0237 178.3713 28 R 4.2679 8.2074 114.9416 58.5609 29.5773 178.5757 29 A 4.1815 8.2685 121.7221 55.1030 18.4642 179.3848 30 A 3.8988 8.4693 119.7624 54.9025 18.4019 179.6967 31 W 4.1161 8.4433 126.8736 60.6409 30.8804 177.9557 32 L 2.8653 7.9240 119.9948 57.6668 41.3292 178.6927 33 A 3.8990 7.9710 120.7689 55.1817 18.2890 179.4444 34 Q 3.8429 7.8646 117.7969 59.1649 29.0826 178.1549 35 E 3.7724 7.8184 119.5687 59.4941 29.4500 179.4705 36 L 4.1264 8.1033 119.2676 57.8339 41.4672 179.6269 37 L 4.1477 8.0870 118.3554 57.6601 41.5767 178.9576 38 T 4.0417 7.6825 112.5630 64.8636 67.3642 176.2259 39 T 3.9478 7.4418 116.5240 64.6673 68.8559 175.4235 40 F 5.2321 8.4491 119.2439 55.8846 39.8856 177.2906 41 E 3.9874 8.5136 121.4466 59.6921 29.2773 177.8622 42 T 4.1250 7.8673 111.7316 63.2172 68.0820 174.2810 43 E 4.5936 8.2561 119.1812 56.2185 31.1540 175.1656 44 L 4.8881 7.6977 118.9371 53.2908 43.3892 176.3426 45 T 4.2525 8.8346 119.2280 64.6153 68.1243 174.1382 46 E 4.9124 7.3892 116.5283 55.6995 32.2951 175.0304 47 L 5.2291 8.6470 121.9210 53.3418 44.8131 175.2189 48 A 4.8788 9.1291 127.9913 50.1317 22.2718 174.8652 49 L 5.1014 8.4913 120.0425 52.9027 44.0085 175.8020 50 K 4.5516 9.0742 126.3919 53.7170 34.2505 173.5790 51 P 3.5426 0.0000 0.0000 62.6179 32.2589 175.8734 52 G 4.0251 8.2994 110.7430 45.0213 0.0000 174.5698 53 T 4.3142 8.7426 120.7453 63.9370 69.2945 177.5528 54 G 4.0597 9.1546 118.9040 45.2912 0.0000 174.0618 55 G 3.9466 8.6646 111.4201 45.7694 0.0000 173.4456 56 V 3.9738 7.4510 121.4620 62.9064 32.9283 175.2748 57 F 5.2809 8.9625 130.1515 57.3068 41.0572 172.4108 58 V 5.1567 8.8243 124.3733 59.4243 35.2938 174.5946 59 V 4.7297 9.0539 122.6129 61.2942 33.9113 174.4746 60 R 5.1201 9.1777 126.6472 54.3282 33.8282 174.9154 61 V 4.4482 8.7430 122.6919 61.1088 34.1473 175.3571 62 D 4.1877 9.6024 130.5549 55.7366 38.4659 175.0662 63 D 4.6166 8.1605 115.7125 54.5949 39.9746 174.3399 64 E 4.4757 7.6756 120.2250 54.2668 30.5841 175.8494 65 V 4.1352 8.3856 124.2656 61.9126 31.9038 175.7877 66 V 4.3267 8.7993 124.5371 62.9110 33.6173 175.5451 67 W 5.8173 7.8974 129.8649 55.9447 34.4045 172.6998 68 D 5.1342 8.3552 125.9044 52.5116 43.5777 175.3848 69 R 4.4322 9.5373 126.8685 59.0978 30.2924 179.5750 70 R 4.5403 7.6997 113.3966 55.6595 29.3568 176.4171 71 E 4.7023 7.9181 117.4410 58.2529 35.8193 174.9642 72 Q 4.1747 8.0313 114.3294 54.3087 30.7522 176.7414 73 G 4.1452 8.6680 108.7617 44.5916 0.0000 172.6578 74 F 3.9061 8.9625 121.2472 57.9748 39.8660 175.7587 75 P 3.0848 0.0000 0.0000 60.9995 29.1409 174.5764 76 E 4.1533 7.9907 125.0954 56.7726 30.8367 173.9801 77 P 4.0007 0.0000 0.0000 66.6201 31.2720 178.0892 78 T 3.8058 8.1892 115.4253 65.8038 68.4769 175.8519 79 A 4.1200 8.4764 122.7178 55.6602 18.4973 180.2175 80 V 3.6339 7.5942 117.0898 64.7456 31.4031 178.6809 81 K 4.1961 8.2778 119.5799 59.0899 31.9489 179.3477 82 R 4.0030 8.2461 119.3468 59.4540 29.8352 178.6113 83 L 4.0965 7.6953 117.3538 57.6193 41.8667 179.3123 84 V 3.6037 7.7953 118.4384 65.6383 31.3150 178.1198 85 R 3.8165 8.1058 118.6225 59.3005 29.7808 177.9282 86 D 4.4613 7.9389 116.8954 56.0876 40.8594 177.6127 87 R 4.4968 7.2984 116.6056 55.9299 30.8471 176.2231 88 V 3.8185 7.7708 124.5323 63.0791 31.8156 174.0345 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 12 T 8.17 4.32 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 1.21 0.00 0.00 13 H 7.87 4.91 0.00 3.29 3.17 0.00 5.78 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 9.12 5.05 0.00 1.75 1.80 0.00 3.05 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 15 V 8.39 4.89 2.04 0.00 0.00 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 0.83 0.00 0.00 16 Q 9.05 5.02 0.00 2.09 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.52 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 17 I 8.96 4.84 1.80 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 0.99 0.58 0.59 0.00 0.00 18 E 9.26 5.62 0.00 1.98 1.75 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 2.13 2.12 0.00 19 Y 8.19 5.36 0.00 3.49 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 20 C 9.72 4.65 0.00 3.14 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 21 T 8.49 3.90 4.07 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 1.22 0.00 0.00 22 Q 7.13 4.03 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 23 C 7.61 4.17 0.00 1.36 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 0.00 0.00 0.00 0.00 24 R 7.62 3.82 0.00 2.03 2.07 0.00 3.33 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 25 W 8.01 5.24 0.00 3.90 3.43 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 26 L 8.14 3.32 0.00 1.91 1.74 0.57 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.34 0.00 2.37 2.37 0.00 3.91 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.14 0.00 28 R 8.21 4.27 0.00 2.26 2.33 0.00 2.21 0.00 0.00 2.84 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.81 0.00 29 A 8.27 4.18 1.21 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 0.00 0.00 0.00 30 A 8.47 3.90 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.44 4.12 0.00 3.45 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 2.87 0.00 1.82 1.46 0.81 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.97 3.90 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 34 Q 7.86 3.84 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 35 E 7.82 3.77 0.00 1.70 1.68 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 1.71 1.47 0.00 36 L 8.10 4.13 0.00 1.61 1.80 0.82 0.67 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 37 L 8.09 4.15 0.00 1.71 1.72 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.68 4.04 4.23 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 1.18 0.00 0.00 39 T 7.44 3.95 3.67 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 0.03 0.00 0.00 40 F 8.45 5.23 0.00 3.17 2.92 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 0.00 0.00 0.00 0.00 41 E 8.51 3.99 0.00 2.07 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 42 T 7.87 4.13 4.25 0.00 0.00 0.00 0.00 0.00 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 43 E 8.26 4.59 0.00 2.20 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 2.27 2.32 0.00 44 L 7.70 4.89 0.00 1.65 1.60 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.83 4.25 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 1.22 0.00 0.00 46 E 7.39 4.91 0.00 2.02 1.98 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 0.00 2.12 2.14 0.00 47 L 8.65 5.23 0.00 1.61 1.53 0.93 0.92 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 48 A 9.13 4.88 1.22 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 49 L 8.49 5.10 0.00 1.58 1.72 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.07 4.55 0.00 1.79 1.64 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.35 7.81 51 P 0.00 3.54 0.00 1.86 1.80 0.00 3.65 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 52 G 8.30 4.03 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 0.00 0.00 0.00 53 T 8.74 4.31 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 1.18 0.00 0.00 54 G 9.15 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 55 G 8.66 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 56 V 7.45 3.97 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.04 0.00 0.00 57 F 8.96 5.28 0.00 3.40 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 58 V 8.82 5.16 2.16 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 0.69 0.00 0.00 0.99 0.00 0.00 59 V 9.05 4.73 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 0.86 0.00 0.00 0.88 0.00 0.00 60 R 9.18 5.12 0.00 1.70 1.75 0.00 3.10 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 61 V 8.74 4.45 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.85 0.00 0.00 62 D 9.60 4.19 0.00 2.81 2.69 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 63 D 8.16 4.62 0.00 2.83 2.84 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 64 E 7.68 4.48 0.00 2.23 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 2.26 2.22 0.00 65 V 8.39 4.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.98 0.00 0.00 66 V 8.80 4.33 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 0.89 0.00 0.00 0.97 0.00 0.00 67 W 7.90 5.82 0.00 3.54 2.85 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 68 D 8.36 5.13 0.00 2.70 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 9.54 4.43 0.00 2.35 2.14 0.00 2.89 0.00 0.00 3.49 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.54 0.00 70 R 7.70 4.54 0.00 1.97 2.10 0.00 3.20 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 71 E 7.92 4.70 0.00 1.82 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 2.01 2.23 0.00 72 Q 8.03 4.17 0.00 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.35 0.00 0.00 0.00 0.00 0.00 1.79 1.88 0.00 73 G 8.67 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.96 3.91 0.00 2.97 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 75 P 0.00 3.08 0.00 1.50 1.28 0.00 2.20 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.99 0.00 76 E 7.99 4.15 0.00 2.18 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 2.52 2.43 0.00 77 P 0.00 4.00 0.00 2.34 2.41 0.00 3.99 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 78 T 8.19 3.81 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 79 A 8.48 4.12 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.59 3.63 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 0.51 0.00 0.00 0.72 0.00 0.00 81 K 8.28 4.20 0.00 2.06 2.00 0.00 1.54 0.00 0.00 1.44 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.53 7.81 82 R 8.25 4.00 0.00 2.24 1.99 0.00 3.18 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 83 L 7.70 4.10 0.00 1.91 1.81 1.17 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.80 3.60 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 0.21 0.00 0.00 0.86 0.00 0.00 85 R 8.11 3.82 0.00 2.35 2.18 0.00 3.37 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.01 0.00 86 D 7.94 4.46 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.30 4.50 0.00 1.79 1.90 0.00 3.29 0.00 0.00 3.13 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 88 V 7.77 3.82 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 0.22 0.00 0.00 0.68 0.00 0.00