NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4192 8.1633 120.6036 55.4531 34.2320 174.0260 2 Q 4.7109 8.3347 124.4450 53.3706 30.5460 173.2717 3 I 4.5322 9.1636 117.1483 59.0669 42.1282 173.7569 4 F 5.5094 8.8467 121.5385 55.9773 42.0858 175.1431 5 V 4.8400 8.8616 121.2645 61.0319 34.7017 174.2359 6 K 4.6968 9.2275 130.9836 56.2489 33.4665 176.9950 7 T 4.6898 8.9628 118.7061 60.0959 70.4777 175.6648 8 L 4.0408 8.3608 120.7194 57.7482 41.5692 178.4870 9 T 4.2254 7.4065 112.0030 63.3958 68.6560 175.5277 10 G 3.9983 8.0482 109.9219 44.7661 0.0000 174.0369 11 K 4.4429 7.7965 119.1296 56.0289 34.2660 175.5465 12 T 5.1872 8.3283 117.6843 61.8568 71.0596 173.8495 13 I 4.6324 8.9292 119.8758 59.5492 40.8252 174.3675 14 T 5.1102 8.4842 119.6869 61.9913 70.5779 173.7590 15 L 4.7590 8.8743 125.8580 52.8800 45.1692 174.9628 16 E 4.9273 8.6268 122.8791 54.8612 30.7025 175.2879 17 V 4.6292 8.7367 119.8198 59.2008 36.0709 175.6881 18 E 4.1703 9.3873 122.1986 55.6207 29.9912 176.7384 19 P 4.2753 0.0000 0.0000 65.2090 31.5935 177.4939 20 S 4.7739 7.5663 113.2079 57.5939 63.7368 173.8716 21 D 4.4798 7.8950 119.6224 54.2448 42.0316 175.5758 22 T 4.5419 8.1688 114.5139 61.5602 70.9485 175.6947 23 I 3.7464 8.4468 123.7717 64.5776 37.1274 178.6797 24 E 3.9622 8.1787 118.9863 59.6283 29.3634 179.0359 25 N 4.3495 8.3407 116.4525 56.1433 38.4941 177.6195 26 V 3.5643 7.8739 119.6598 66.0913 31.5796 178.3320 27 K 4.3153 8.6459 119.5083 58.7954 31.8137 179.2233 28 A 4.0054 8.0727 121.2628 55.0675 18.2877 179.8893 29 K 3.9617 8.1460 117.0586 59.6049 32.1252 179.6889 30 I 3.7242 7.9951 120.3250 64.2703 36.9128 178.1922 31 Q 4.1618 8.3475 122.1349 58.8221 28.6720 178.1845 32 D 4.3226 7.8863 118.6509 57.2184 40.9148 178.3530 33 K 4.1329 7.9965 119.0849 58.5838 32.3994 177.7898 34 E 4.5729 8.8769 116.7841 55.5034 31.2589 177.2221 35 G 3.9475 8.2705 106.6816 44.9105 0.0000 173.4126 36 I 4.0039 7.4453 121.6552 59.7692 37.8950 173.7067 37 P 4.4277 0.0000 0.0000 62.0522 32.0627 175.5484 38 P 4.2032 0.0000 0.0000 65.7934 31.4197 178.1621 39 D 4.4250 8.0935 115.9179 56.5186 41.2079 176.4406 40 Q 4.3844 7.9868 116.2586 56.1963 29.5303 175.6909 41 Q 4.3121 7.8160 119.0007 55.2961 29.7164 174.8761 42 R 4.7293 8.2441 120.6225 54.3672 33.9445 174.1656 43 L 5.1643 8.5670 123.3705 52.9635 44.7329 175.2534 44 I 5.0276 8.8305 124.5501 59.5790 40.2595 174.5455 45 F 4.9596 9.0274 127.8109 57.0949 43.1648 174.1551 46 A 3.3198 8.7383 127.8502 53.2283 15.8512 177.9282 47 G 3.9207 8.3203 105.3984 46.7600 0.0000 174.1780 48 K 4.6335 7.7040 118.7194 54.0545 35.3477 175.0564 49 Q 4.5877 8.4847 123.7581 55.8574 29.7455 175.3181 50 L 3.8706 8.7057 127.1180 54.3742 42.6346 176.0976 51 E 4.8357 9.0611 122.1470 54.2721 32.4445 175.6974 52 D 4.3930 8.6503 122.7644 55.9729 41.4177 177.2346 53 G 3.9349 9.3833 111.1581 45.1361 0.0000 173.2148 54 R 4.8155 7.6052 118.9547 54.8015 33.7585 174.6313 55 T 5.0755 8.9576 110.0340 59.6159 72.0632 175.0557 56 L 4.1151 8.8877 121.5279 58.2249 42.1530 180.5379 57 S 4.1484 8.0741 114.6394 61.4978 62.4418 176.1768 58 D 4.2130 7.7097 120.4889 56.6656 40.4802 177.4690 59 Y 4.6668 7.4320 113.7024 56.4311 38.7723 174.6553 60 N 4.2238 8.1457 117.3170 54.4759 38.1086 173.9246 61 I 3.7604 7.6413 117.1578 60.2539 38.0707 175.5293 62 Q 4.5246 8.5392 122.0545 53.6470 31.7714 173.8730 63 K 3.9302 8.5322 118.1101 58.5554 32.1348 176.1163 64 E 3.5673 9.1674 124.0923 56.9726 27.7614 174.7900 65 S 4.5492 7.9572 115.5742 59.1753 64.2618 173.2968 66 T 5.2147 8.7332 118.4903 62.0927 70.5897 173.8455 67 L 5.0084 9.1419 126.8850 53.8166 44.6256 175.1686 68 H 5.1679 9.0030 118.2862 54.0184 31.5688 173.2971 69 L 4.8594 8.8185 124.4160 54.5328 42.2339 176.7311 70 V 4.6393 8.7943 115.6738 59.4183 36.5290 175.1710 71 L 4.4834 8.4130 121.5897 54.0809 42.3552 177.5001 72 R 4.0263 8.3224 120.1575 56.4559 30.7223 176.7387 73 L 4.4478 8.2443 122.1404 53.3515 43.0349 176.3845 74 R 4.0995 8.3281 121.4037 57.9600 30.1715 177.3354 75 G 3.9058 9.2770 112.0455 44.9543 0.0000 172.7132 76 G 4.0881 7.6714 108.2107 43.7795 0.0000 173.6065 77 D 4.5304 8.4159 117.5052 53.2670 39.6334 176.2970 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 8.16 4.42 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 Q 8.33 4.71 0.00 1.88 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.63 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 3 I 9.16 4.53 1.82 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 1.10 1.17 0.79 0.00 0.00 4 F 8.85 5.51 0.00 3.06 2.89 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 5 V 8.86 4.84 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 1.02 0.00 0.00 0.93 0.00 0.00 6 K 9.23 4.70 0.00 1.68 1.64 0.00 1.71 0.00 0.00 1.91 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.54 7.81 7 T 8.96 4.69 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 1.28 0.00 0.00 8 L 8.36 4.04 0.00 1.66 1.78 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.41 4.23 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 10 G 8.05 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 0.00 0.00 0.00 11 K 7.80 4.44 0.00 1.73 1.74 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.47 7.81 12 T 8.33 5.19 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 1.25 0.00 0.00 13 I 8.93 4.63 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.34 0.97 0.00 0.00 14 T 8.48 5.11 4.30 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 1.08 0.00 0.00 15 L 8.87 4.76 0.00 1.46 1.48 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.63 4.93 0.00 1.90 1.81 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 2.17 2.33 0.00 17 V 8.74 4.63 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 0.69 0.00 0.00 0.88 0.00 0.00 18 E 9.39 4.17 0.00 1.95 1.85 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 2.43 2.41 0.00 19 P 0.00 4.28 0.00 2.01 2.10 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 20 S 7.57 4.77 0.00 3.80 3.81 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 21 D 7.89 4.48 0.00 2.88 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.17 4.54 4.41 0.00 0.00 0.00 0.00 0.00 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 23 I 8.45 3.75 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.23 0.92 0.00 0.00 24 E 8.18 3.96 0.00 2.06 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 2.41 2.48 0.00 25 N 8.34 4.35 0.00 2.98 2.85 0.00 0.00 6.69 7.27 0.00 0.00 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 V 7.87 3.56 2.21 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 1.07 0.00 0.00 0.97 0.00 0.00 27 K 8.65 4.32 0.00 1.96 1.84 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.45 7.81 28 A 8.07 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 29 K 8.15 3.96 0.00 1.97 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.61 7.81 30 I 8.00 3.72 2.13 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 1.40 0.66 0.91 0.00 0.00 31 Q 8.35 4.16 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 32 D 7.89 4.32 0.00 2.84 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 33 K 8.00 4.13 0.00 1.86 1.83 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 34 E 8.88 4.57 0.00 2.09 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 0.00 2.25 2.43 0.00 35 G 8.27 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 36 I 7.45 4.00 1.87 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 1.42 1.13 0.91 0.00 0.00 37 P 0.00 4.43 0.00 2.17 1.98 0.00 3.61 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.20 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 8.09 4.42 0.00 2.62 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.99 4.38 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 41 Q 7.82 4.31 0.00 2.27 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 42 R 8.24 4.73 0.00 1.77 1.78 0.00 3.44 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.57 5.16 0.00 1.52 1.51 0.89 0.85 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 44 I 8.83 5.03 1.90 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 1.13 1.01 0.89 0.00 0.00 45 F 9.03 4.96 0.00 3.02 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.74 3.32 0.93 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 47 G 8.32 3.92 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 0.00 0.00 0.00 48 K 7.70 4.63 0.00 1.97 1.73 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.58 7.81 49 Q 8.48 4.59 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 50 L 8.71 3.87 0.00 1.38 1.28 0.74 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.06 4.84 0.00 2.02 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 2.50 2.50 0.00 52 D 8.65 4.39 0.00 2.69 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 53 G 9.38 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 54 R 7.61 4.82 0.00 2.14 1.94 0.00 3.14 0.00 0.00 3.56 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 55 T 8.96 5.08 4.43 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 1.25 0.00 0.00 56 L 8.89 4.12 0.00 1.73 1.72 0.89 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.07 4.15 0.00 3.85 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 58 D 7.71 4.21 0.00 2.31 2.05 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 59 Y 7.43 4.67 0.00 3.07 3.15 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 60 N 8.15 4.22 0.00 2.90 3.03 0.00 0.00 7.13 7.55 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 61 I 7.64 3.76 1.83 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.18 0.60 0.00 0.00 62 Q 8.54 4.52 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 63 K 8.53 3.93 0.00 1.69 1.77 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.43 7.81 64 E 9.17 3.57 0.00 2.19 2.32 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 2.21 2.20 0.00 65 S 7.96 4.55 0.00 3.59 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 5.21 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 1.20 0.00 0.00 67 L 9.14 5.01 0.00 1.56 1.60 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.00 5.17 0.00 3.07 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.82 4.86 0.00 1.73 1.61 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.79 4.64 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 0.82 0.00 0.00 0.99 0.00 0.00 71 L 8.41 4.48 0.00 1.64 1.60 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.32 4.03 0.00 1.78 1.88 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 73 L 8.24 4.45 0.00 1.70 1.57 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.33 4.10 0.00 1.80 1.89 0.00 3.35 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 75 G 9.28 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 76 G 7.67 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.42 4.53 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00