NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3627 8.3044 120.3487 55.1931 33.6258 175.5638 2 D 4.4137 8.2775 124.2816 53.2922 43.5022 175.6472 3 A 4.0640 9.2452 125.8050 55.0780 18.9121 179.7814 4 I 3.7068 8.1478 118.7153 64.5576 37.1522 178.7890 5 K 4.0569 7.9579 118.8994 59.0877 32.0488 179.2724 6 K 3.9746 8.0788 120.2247 59.2577 32.1161 178.8992 7 K 3.9650 8.5591 120.5218 59.6046 32.1061 178.4251 8 M 4.0286 7.9673 118.1984 58.6615 32.1722 178.0621 9 Q 3.9545 7.8500 119.3808 59.4799 29.2800 178.1048 10 M 4.1423 7.9441 119.4651 58.1772 31.9258 178.7838 11 L 4.1831 7.9937 119.5190 57.5453 41.8126 179.3269 12 K 4.0038 8.1198 119.7378 59.2702 32.0403 179.0016 13 L 4.0009 7.7842 119.2341 57.8613 41.5321 179.1043 14 D 4.3444 8.1276 118.8652 57.1121 40.6543 178.8070 15 K 3.9084 8.0679 120.0510 59.6408 32.2039 178.6620 16 E 3.9525 8.2306 118.7828 59.5302 29.3628 179.1691 17 N 4.2988 8.4021 116.2915 56.3212 38.6151 177.3657 18 A 4.0280 8.2140 122.2270 55.0871 18.4013 179.7198 19 L 3.9427 8.2128 117.8060 57.8501 41.6694 179.1630 20 D 4.4395 8.3381 118.2325 57.3727 41.1220 178.3217 21 R 3.8636 8.0801 119.0001 59.2311 30.0342 178.2574 22 A 3.9755 8.1213 120.5834 55.3916 18.4224 179.5143 23 E 3.9065 8.3446 117.1314 59.5082 29.5112 179.4526 24 Q 3.9300 8.2027 119.4973 59.0451 29.1603 178.0686 25 A 4.0100 8.2070 121.9618 55.3200 18.4432 179.5372 26 E 3.9577 8.4813 116.9567 59.3431 29.4853 179.4634 27 A 4.0428 8.0365 121.0754 55.1637 18.4065 179.4583 28 D 4.3360 8.2608 117.5779 57.0941 40.7829 178.8639 29 K 3.9099 8.1460 120.3166 59.2583 32.2465 178.6969 30 K 3.8584 8.0795 119.6433 59.5674 32.2800 178.5274 31 A 3.9857 8.0542 120.7155 55.1313 18.3854 179.4870 32 A 3.9589 8.1709 119.2801 55.4343 18.6079 179.7973 33 E 3.9700 8.4908 117.3479 59.3626 29.4316 179.2001 34 E 3.9582 8.2970 119.6382 59.1181 29.6811 178.8340 35 R 3.8788 7.9309 118.4781 59.5077 30.1343 178.6402 36 S 4.1332 7.9574 114.5337 61.4582 62.8009 176.6537 37 K 4.2183 7.8041 123.2711 59.1210 32.0486 178.8964 38 Q 4.0187 8.2789 118.4367 59.0238 28.6185 178.8972 39 L 4.0523 8.1201 120.0249 57.6288 41.6168 179.2941 40 E 3.9868 8.2111 118.7121 59.6373 29.4026 179.2056 41 D 4.4727 8.1335 118.8796 57.1844 40.8090 178.4376 42 E 3.9535 8.0905 119.8896 59.0109 29.6039 178.6575 43 L 3.9367 8.0659 120.5849 57.9712 42.2290 179.0759 44 V 3.8231 8.0057 119.2159 65.5106 31.5115 177.8890 45 A 4.0019 7.9684 120.5117 55.0804 18.1977 179.4086 46 L 3.9387 8.1635 118.9741 58.3348 41.6919 179.2010 47 Q 4.0150 8.2745 118.1697 58.6827 28.5748 178.6850 48 K 3.9681 8.0311 120.7266 59.2813 32.3610 178.8483 49 K 3.9430 7.9567 120.0105 59.3089 32.0407 178.5954 50 L 3.9370 8.0756 120.6962 57.8991 42.0316 178.6931 51 K 4.1291 8.1925 119.7508 59.7284 32.1387 178.9731 52 G 3.6489 8.1247 105.7787 48.0639 0.0000 175.8220 53 T 3.9980 7.7551 117.5325 66.4929 68.4987 176.8940 54 E 4.0373 8.6338 121.0060 59.3840 29.4060 179.1411 55 D 4.3978 8.3179 119.2383 57.2472 40.8479 178.3838 56 E 4.0680 8.1491 119.5961 59.0186 29.6535 178.5730 57 L 4.0036 8.0203 120.5822 58.2755 42.1412 178.7151 58 D 4.5169 8.1474 120.2212 56.7360 40.7487 178.8894 59 K 3.9998 7.9316 118.6913 59.7548 31.9593 179.0162 60 Y 3.9730 8.3289 117.3132 60.7138 37.5148 178.3152 61 S 4.1751 8.3443 115.4951 61.5369 63.1475 176.4853 62 E 4.0560 8.2532 122.2784 59.2538 29.2025 179.5478 63 S 4.1239 7.9498 114.8261 61.2835 62.8436 176.4870 64 L 4.0152 8.2948 123.7619 57.7944 41.8458 179.1159 65 K 3.9694 8.2057 118.9786 60.0354 32.5278 178.6734 66 D 4.2762 8.1007 119.0984 57.0229 41.2064 178.1543 67 A 4.0738 8.1715 121.0471 54.9445 18.3399 179.6549 68 Q 3.9857 8.0149 117.0756 58.9377 28.6862 178.3818 69 E 3.9689 8.3045 119.6982 59.5097 29.6547 179.6610 70 K 4.0307 8.1703 118.4068 59.3134 32.2060 179.5041 71 L 4.0588 7.8876 119.3828 57.5189 41.3853 179.1049 72 E 3.9825 8.1822 119.5197 59.1115 29.3253 178.8086 73 L 3.9820 7.4640 118.3001 57.6990 41.7096 178.9071 74 A 4.0864 7.6969 119.5054 55.4086 18.4436 178.8817 75 D 4.4484 7.8473 115.8718 56.9135 42.1764 178.5602 76 K 4.3667 8.1232 120.7515 54.9161 29.5351 176.4818 77 K 4.1040 7.4163 124.6448 56.9441 32.2716 175.0422 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 M 8.30 4.36 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 D 8.28 4.41 0.00 2.91 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.25 4.06 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 4 I 8.15 3.71 2.05 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 1.10 0.91 0.00 0.00 5 K 7.96 4.06 0.00 1.92 1.85 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.49 7.81 6 K 8.08 3.97 0.00 1.97 1.92 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.48 7.81 7 K 8.56 3.97 0.00 1.93 1.78 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 8 M 7.97 4.03 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 9 Q 7.85 3.95 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 10 M 7.94 4.14 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.58 0.00 11 L 7.99 4.18 0.00 1.88 1.71 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.12 4.00 0.00 1.92 1.98 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 13 L 7.78 4.00 0.00 2.00 1.70 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.13 4.34 0.00 2.85 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 15 K 8.07 3.91 0.00 1.84 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 16 E 8.23 3.95 0.00 2.19 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 2.33 2.61 0.00 17 N 8.40 4.30 0.00 2.88 2.86 0.00 0.00 6.93 7.05 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 18 A 8.21 4.03 1.37 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 0.00 0.00 19 L 8.21 3.94 0.00 1.86 1.73 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.34 4.44 0.00 2.78 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 R 8.08 3.86 0.00 1.93 2.07 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 22 A 8.12 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.34 3.91 0.00 2.15 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 2.33 2.50 0.00 24 Q 8.20 3.93 0.00 2.18 2.23 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 2.35 2.58 0.00 25 A 8.21 4.01 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 26 E 8.48 3.96 0.00 2.02 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 2.33 2.42 0.00 27 A 8.04 4.04 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 28 D 8.26 4.34 0.00 2.84 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 29 K 8.15 3.91 0.00 1.83 2.05 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 30 K 8.08 3.86 0.00 2.02 1.95 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 31 A 8.05 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 3.97 0.00 2.09 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 2.33 2.40 0.00 34 E 8.30 3.96 0.00 2.05 2.11 0.00 0.00 0.00 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 2.31 0.00 35 R 7.93 3.88 0.00 2.00 2.11 0.00 3.20 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 36 S 7.96 4.13 0.00 4.10 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 37 K 7.80 4.22 0.00 1.97 1.95 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.48 7.81 38 Q 8.28 4.02 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 39 L 8.12 4.05 0.00 1.86 1.71 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.21 3.99 0.00 2.23 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 2.33 2.55 0.00 41 D 8.13 4.47 0.00 2.86 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 42 E 8.09 3.95 0.00 2.22 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 2.30 2.31 0.00 43 L 8.07 3.94 0.00 1.93 1.83 0.92 0.69 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 44 V 8.01 3.82 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 1.15 0.00 0.00 0.99 0.00 0.00 45 A 7.97 4.00 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 46 L 8.16 3.94 0.00 1.87 1.67 0.92 0.68 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 47 Q 8.27 4.01 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 48 K 8.03 3.97 0.00 1.94 1.99 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.44 7.81 49 K 7.96 3.94 0.00 1.89 1.95 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 50 L 8.08 3.94 0.00 1.80 1.81 0.92 0.43 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 51 K 8.19 4.13 0.00 2.00 1.96 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.52 7.81 52 G 8.12 3.65 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 0.00 0.00 0.00 53 T 7.76 4.00 4.39 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 1.19 0.00 0.00 54 E 8.63 4.04 0.00 2.13 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 2.33 2.56 0.00 55 D 8.32 4.40 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 4.07 0.00 2.26 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 0.00 2.38 2.56 0.00 57 L 8.02 4.00 0.00 1.89 1.86 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.15 4.52 0.00 2.92 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 59 K 7.93 4.00 0.00 2.12 1.83 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.71 7.81 60 Y 8.33 3.97 0.00 3.18 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 61 S 8.34 4.18 0.00 4.09 4.16 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 0.00 0.00 0.00 0.00 62 E 8.25 4.06 0.00 2.17 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 2.50 2.49 0.00 63 S 7.95 4.12 0.00 3.86 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 64 L 8.29 4.02 0.00 1.88 1.83 0.95 0.70 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 65 K 8.21 3.97 0.00 2.08 2.19 0.00 1.37 0.00 0.00 1.57 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.61 7.81 66 D 8.10 4.28 0.00 2.91 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 67 A 8.17 4.07 1.37 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 0.00 0.00 68 Q 8.01 3.99 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 69 E 8.30 3.97 0.00 2.25 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 2.33 2.52 0.00 70 K 8.17 4.03 0.00 1.81 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.61 7.81 71 L 7.89 4.06 0.00 1.94 1.72 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.18 3.98 0.00 2.07 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 0.00 2.30 2.35 0.00 73 L 7.46 3.98 0.00 1.79 1.72 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.70 4.09 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 75 D 7.85 4.45 0.00 2.70 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.12 4.37 0.00 1.79 1.81 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.44 7.81 77 K 7.42 4.10 0.00 1.81 1.81 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.49 7.81