NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2822 8.3344 116.7969 57.4278 65.3793 173.3377 3 R 3.5050 7.8917 116.6569 56.8580 27.2678 168.9961 4 V 4.4856 7.4508 112.3113 60.1609 35.6657 175.0884 5 C 4.1806 8.3226 118.8048 60.2454 31.7604 176.2768 6 Q 3.8612 8.4481 122.0103 56.2797 28.7799 174.0927 7 V 4.1208 8.4174 116.2571 62.2447 32.5081 176.6578 8 T 4.4030 7.9549 107.1410 60.3588 70.1375 174.7455 9 G 3.9485 8.5653 109.4467 44.5217 0.0000 173.5376 10 K 3.8462 7.6367 119.2093 57.2392 32.5628 176.1298 11 R 4.9518 8.1446 120.5003 53.3183 34.2216 172.8383 12 P 5.1820 0.0000 0.0000 62.5677 31.9346 175.8146 13 V 4.5658 8.5553 124.4460 61.2124 34.2718 174.8929 14 T 4.4175 8.3370 116.2328 60.6503 70.6381 174.0057 15 G 4.0657 7.5860 109.5487 45.2259 0.0000 172.5963 16 N 4.8098 8.6369 118.8684 52.7894 39.2589 175.4307 17 N 4.3195 9.2811 121.1473 54.9536 39.7698 175.3280 18 R 3.5670 7.9384 115.5122 57.1297 28.1915 174.1171 19 S 4.3659 8.3918 117.5608 57.6364 64.5903 173.8859 20 H 4.0998 8.6441 119.5098 57.2113 29.7870 174.5823 21 A 3.8209 8.7414 121.3547 52.2844 15.7715 177.2965 22 L 3.5723 7.2815 114.5365 56.9764 39.9122 175.0465 23 N 4.7090 7.8817 116.3668 52.5694 38.9292 174.5809 24 A 4.7934 8.4785 126.4191 51.7057 20.1371 176.9866 25 T 4.4149 8.3418 111.4950 60.2092 71.7278 173.2053 26 K 4.1659 8.8914 126.4475 57.6345 32.1093 175.5693 27 R 4.3834 9.0274 120.9610 57.7504 31.1921 177.0655 28 R 3.8392 8.1286 110.3829 55.2244 29.0319 174.6765 29 F 5.0681 8.7988 115.7559 55.7013 43.0203 174.0994 30 L 5.1011 8.2211 121.2156 53.1033 43.4464 175.8283 31 P 4.5481 0.0000 0.0000 63.0301 31.6915 175.1805 32 N 4.2063 8.8935 114.7123 55.9100 39.1766 176.8501 33 L 3.6302 6.8666 113.2707 57.0245 38.6662 174.1837 34 H 4.7359 8.8396 123.4519 53.7526 30.6477 170.4247 35 S 4.0861 8.3740 122.3036 57.9285 64.2385 170.3530 36 H 4.7447 8.8161 123.5822 54.1786 33.5977 172.8256 37 R 4.5212 7.6386 122.2195 55.1409 29.9327 175.2471 38 F 4.8950 9.4462 123.9080 56.2419 40.8388 175.4098 39 W 4.6258 9.1495 134.0578 55.6412 29.4289 176.4740 40 V 3.2326 8.2863 119.0449 62.0288 31.7758 177.0234 41 E 2.5400 6.2510 124.4208 56.7941 29.5695 176.1037 42 S 3.9139 7.7924 111.0902 61.3014 62.6215 174.8254 43 E 4.0674 7.8878 119.1477 54.8610 29.6569 175.9875 44 K 3.5007 7.9030 117.2124 57.4953 31.5674 174.1349 45 R 4.8235 6.8494 116.0412 54.0809 32.4023 175.5608 46 F 6.1537 9.0435 128.2879 57.0175 38.2248 175.9086 47 V 3.9857 8.1611 112.1689 62.6352 33.1813 176.5251 48 T 5.8015 8.5720 117.2327 59.4340 70.0333 172.9010 49 L 4.8632 8.6552 127.2372 52.7900 45.9288 176.4565 50 R 4.7996 8.8446 123.7000 56.6983 27.9422 175.2363 51 V 4.6954 8.1452 123.7228 61.0203 34.3875 174.1440 52 S 5.2040 8.4026 119.1547 55.8562 66.3238 173.0968 53 A 4.0490 8.5892 123.2475 53.3861 18.8980 177.6356 54 K 4.2587 9.0086 125.1795 57.9590 32.4144 178.1125 55 G 3.8399 7.5946 105.1369 48.3212 0.0000 175.2120 56 M 4.1731 8.0185 119.5928 58.4837 31.2357 178.1877 57 R 4.4772 7.9886 118.8074 57.9590 30.0818 178.7766 58 V 3.7684 7.6108 118.2413 65.4213 31.8404 177.5634 59 I 3.5814 7.3294 119.1674 64.8719 37.0873 178.0824 60 D 4.4871 8.2776 118.4970 56.3440 40.3480 178.2036 61 K 4.1516 7.2000 116.8003 57.4103 32.5630 177.0187 62 K 4.4123 9.7762 116.1388 57.7694 34.2686 174.7890 63 G 3.7882 7.3975 103.6145 44.5017 0.0000 174.0639 64 I 3.4670 8.5215 126.7086 64.6278 37.0118 178.2098 65 D 4.3545 7.8799 118.9931 56.5722 39.4528 178.5963 66 T 3.8279 7.6555 116.6428 66.2110 68.4534 176.4904 67 V 3.5301 8.6885 121.4523 65.8210 31.5212 177.9566 68 L 3.6930 8.1960 118.9305 57.6705 41.1325 178.9591 69 A 3.9455 7.8174 120.3781 54.1763 18.3301 179.7788 70 E 4.3939 8.9111 116.4823 54.0895 29.6416 182.4059 71 L 3.3668 9.6579 119.8604 55.5678 43.4191 175.2912 72 R 4.0358 5.8400 114.0199 59.6392 29.7663 178.5950 73 A 3.9991 9.0562 120.9274 54.9071 18.5294 179.1783 74 R 4.0871 7.7606 114.4004 57.5122 30.3119 177.1254 75 G 3.8732 8.1024 106.6690 45.8207 0.0000 173.0403 76 E 4.3619 8.3443 121.9409 54.9145 31.2827 178.1366 77 K 4.7317 8.0893 123.1772 56.3892 31.9373 176.3868 78 Y 3.9818 8.7452 118.4686 57.9145 39.5240 168.8456 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 S 8.33 4.28 0.00 3.89 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 3 R 7.89 3.50 0.00 2.03 2.01 0.00 3.22 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 4 V 7.45 4.49 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 0.76 0.00 0.00 0.95 0.00 0.00 5 C 8.32 4.18 0.00 3.09 2.98 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 0.00 0.00 0.00 6 Q 8.45 3.86 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 7 V 8.42 4.12 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 0.85 0.00 0.00 0.84 0.00 0.00 8 T 7.95 4.40 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 1.20 0.00 0.00 9 G 8.57 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 10 K 7.64 3.85 0.00 1.81 1.80 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.45 7.81 11 R 8.14 4.95 0.00 1.75 1.79 0.00 3.22 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 12 P 0.00 5.18 0.00 2.08 2.09 0.00 3.35 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 13 V 8.56 4.57 2.24 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 1.06 0.00 0.00 1.10 0.00 0.00 14 T 8.34 4.42 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 1.14 0.00 0.00 15 G 7.59 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 0.00 0.00 0.00 0.00 16 N 8.64 4.81 0.00 2.75 2.76 0.00 0.00 6.92 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 9.28 4.32 0.00 2.75 2.85 0.00 0.00 7.35 8.10 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 18 R 7.94 3.57 0.00 1.90 1.95 0.00 3.31 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 19 S 8.39 4.37 0.00 4.05 4.04 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 0.00 0.00 0.00 0.00 20 H 8.64 4.10 0.00 3.26 3.26 0.00 6.00 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.74 3.82 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 22 L 7.28 3.57 0.00 1.91 1.74 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.88 4.71 0.00 2.66 2.79 0.00 0.00 6.95 8.55 0.00 0.00 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 A 8.48 4.79 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 25 T 8.34 4.41 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 1.21 0.00 0.00 26 K 8.89 4.17 0.00 1.62 1.77 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.74 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.39 7.81 27 R 9.03 4.38 0.00 1.56 1.87 0.00 2.22 0.00 0.00 3.06 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 28 R 8.13 3.84 0.00 1.93 2.09 0.00 2.89 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.52 0.00 29 F 8.80 5.07 0.00 3.06 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 30 L 8.22 5.10 0.00 1.71 1.61 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.55 0.00 2.07 2.10 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 32 N 8.89 4.21 0.00 2.82 2.93 0.00 0.00 6.95 7.85 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 33 L 6.87 3.63 0.00 1.78 2.08 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.84 4.74 0.00 3.10 3.32 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.37 4.09 0.00 4.18 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 36 H 8.82 4.74 0.00 3.11 2.74 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.64 4.52 0.00 1.27 1.28 0.00 3.19 0.00 0.00 3.12 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.25 0.00 38 F 9.45 4.89 0.00 3.26 3.07 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 0.00 39 W 9.15 4.63 0.00 2.61 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 40 V 8.29 3.23 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.75 0.00 0.00 41 E 6.25 2.54 0.00 1.50 1.67 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 2.00 2.31 0.00 42 S 7.79 3.91 0.00 3.92 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 7.89 4.07 0.00 1.98 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 2.31 2.26 0.00 44 K 7.90 3.50 0.00 1.74 1.82 0.00 1.71 0.00 0.00 1.57 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.54 7.81 45 R 6.85 4.82 0.00 1.96 1.78 0.00 3.21 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 46 F 9.04 6.15 0.00 3.38 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 47 V 8.16 3.99 2.39 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 0.98 0.00 0.00 1.18 0.00 0.00 48 T 8.57 5.80 4.28 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 1.28 0.00 0.00 49 L 8.66 4.86 0.00 1.70 1.75 0.73 0.94 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 50 R 8.84 4.80 0.00 1.87 1.92 0.00 3.24 0.00 0.00 3.18 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 51 V 8.15 4.70 2.34 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 1.04 0.00 0.00 1.18 0.00 0.00 52 S 8.40 5.20 0.00 3.92 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 53 A 8.59 4.05 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 54 K 9.01 4.26 0.00 1.98 1.92 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.42 7.81 55 G 7.59 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 0.00 0.00 0.00 56 M 8.02 4.17 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.01 2.95 0.00 57 R 7.99 4.48 0.00 2.04 1.99 0.00 3.45 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 58 V 7.61 3.77 2.31 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 1.00 0.00 0.00 0.95 0.00 0.00 59 I 7.33 3.58 1.96 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.62 0.67 0.00 0.00 60 D 8.28 4.49 0.00 2.72 2.75 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 61 K 7.20 4.15 0.00 1.85 1.90 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.46 7.81 62 K 9.78 4.41 0.00 1.64 1.75 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.38 7.81 63 G 7.40 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 64 I 8.52 3.47 1.78 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 1.78 0.37 0.73 0.00 0.00 65 D 7.88 4.35 0.00 2.81 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 66 T 7.66 3.83 4.29 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 1.17 0.00 0.00 67 V 8.69 3.53 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 0.87 0.00 0.00 0.84 0.00 0.00 68 L 8.20 3.69 0.00 1.50 1.41 0.53 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.82 3.95 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 70 E 8.91 4.39 0.00 2.22 1.25 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 2.47 2.25 0.00 71 L 9.66 3.37 0.00 1.65 1.58 1.08 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 72 R 5.84 4.04 0.00 2.27 2.50 0.00 2.95 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.74 0.00 73 A 9.06 4.00 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 74 R 7.76 4.09 0.00 1.82 2.18 0.00 3.24 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 1.62 1.70 0.00 75 G 8.10 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.34 4.36 0.00 2.15 1.89 0.00 0.00 0.00 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 2.34 0.00 77 K 8.09 4.73 0.00 1.97 1.58 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.43 7.81 78 Y 8.75 3.98 0.00 3.10 3.04 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 0.00 0.00 0.00 0.00