NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4574 8.1633 118.3243 55.1934 33.5210 173.9073 2 Q 4.7045 8.2100 118.7229 53.3536 30.6930 173.3681 3 I 4.5095 9.1915 116.7440 59.0682 42.3264 173.5509 4 F 5.5639 8.7341 120.3976 55.7348 42.7765 174.7462 5 V 4.8599 8.7832 120.9341 61.1290 34.7005 174.4469 6 K 4.7452 9.2126 128.7381 56.0870 33.4439 177.6452 7 T 4.7392 9.3978 117.8262 60.5737 70.9667 174.9898 8 L 3.9895 8.5477 120.3277 58.2022 41.6035 178.1629 9 T 4.2618 7.9100 105.8001 61.3713 69.0208 175.5172 10 G 3.9558 7.9327 111.4646 45.0516 0.0000 174.1863 11 K 4.1571 7.7609 121.1548 56.8531 33.6243 175.2808 12 T 5.3049 8.3946 122.3672 61.8803 70.3485 173.9044 13 I 4.7327 8.8450 119.9241 59.3982 40.9313 174.3950 14 T 5.2198 8.4452 112.4765 60.1969 71.3027 173.5815 15 L 4.7816 8.6158 122.0771 53.0728 46.3491 175.0368 16 E 4.8044 8.7839 123.8940 55.0269 30.4616 175.0812 17 V 4.7423 8.7628 119.8134 59.8101 36.3397 174.5908 18 E 4.6924 9.2548 120.9140 53.9722 31.8558 176.1010 19 P 4.2119 0.0000 0.0000 65.6196 31.5541 178.0305 20 S 4.4763 7.8757 109.7563 58.6611 63.8005 174.1182 21 D 4.4675 8.2361 123.3717 54.6322 41.3267 176.0908 22 T 4.7728 8.6864 113.6631 60.8975 71.5810 176.2101 23 I 3.7305 8.4552 122.8642 64.5112 37.0434 178.5378 24 E 3.9766 8.3003 119.4534 59.5982 29.2094 179.1796 25 N 4.3164 7.9818 115.7598 56.3821 38.6434 177.6801 26 V 3.5767 7.7691 119.5372 65.9754 31.6541 178.2288 27 K 4.2929 8.8269 119.8123 58.7214 31.7424 179.0564 28 A 4.0044 8.1152 121.1330 55.3261 18.1872 179.9124 29 K 4.1241 7.8769 116.6556 59.6771 32.0046 179.7524 30 I 3.7667 7.8011 120.2035 64.1962 36.9528 178.2661 31 Q 4.1740 8.0061 121.9986 58.7023 28.6510 177.8906 32 D 4.3732 7.7132 119.0557 56.6842 40.9875 178.0675 33 K 4.3955 7.7661 116.4902 57.3355 33.6247 177.3161 34 E 4.5991 8.4825 118.2127 55.0886 30.9811 176.4641 35 G 3.8389 8.0244 106.4214 46.1316 0.0000 173.0654 36 I 4.4312 7.4576 120.2275 58.1062 39.3499 173.7359 37 P 4.3557 0.0000 0.0000 61.9042 32.1249 175.4422 38 P 4.2421 0.0000 0.0000 66.0534 31.3225 178.5303 39 D 4.3672 8.1300 115.5435 56.6971 40.9567 176.8136 40 Q 4.5841 8.3676 117.3986 55.6200 30.2055 174.7300 41 Q 4.8363 8.2724 120.2265 54.2008 31.2313 174.5478 42 R 4.6359 8.7783 123.6007 54.4671 33.2918 173.7943 43 L 5.2757 8.5288 125.5679 53.0789 44.5977 175.2417 44 I 5.0787 8.7927 123.9710 59.5359 40.8512 174.4605 45 F 5.0194 9.1777 127.8926 57.2492 43.0873 174.1421 46 A 3.5519 8.8135 128.6938 53.1874 15.8494 177.1093 47 G 3.9253 8.1473 103.3867 46.7564 0.0000 173.7775 48 K 4.6373 7.8221 117.7548 54.0779 35.8083 174.9206 49 Q 4.7014 8.4725 122.9524 55.2262 29.9834 175.0094 50 L 3.9739 8.6365 127.3295 54.2313 42.8553 176.0250 51 E 4.6350 9.4503 123.1213 54.7043 31.5542 176.7634 52 D 4.3945 8.9151 124.4008 57.7235 41.0763 179.2617 53 G 3.8281 8.0004 104.3273 46.4020 0.0000 173.6772 54 R 4.4330 7.9620 120.0569 55.3314 31.4766 175.6295 55 T 5.0335 8.2352 110.0620 59.8391 71.1313 175.1274 56 L 4.2007 8.4946 122.0928 58.1672 41.9999 180.1697 57 S 4.1617 8.2760 114.6915 61.7197 62.9342 176.4660 58 D 4.2239 7.7027 118.7701 56.9257 40.5429 176.9390 59 Y 4.6670 7.6882 114.1652 57.0038 38.0954 174.8566 60 N 4.1829 8.0548 116.8428 54.5806 37.8918 174.1916 61 I 3.7240 7.8876 117.3916 60.2765 37.6627 175.5474 62 Q 4.5954 8.3609 124.7054 53.0026 31.4958 174.7523 63 K 4.0004 8.4002 119.2457 58.6482 32.1670 176.0247 64 E 3.4211 9.1014 123.8124 56.9905 27.8152 174.8143 65 S 4.5767 7.8455 115.5440 58.9525 64.3083 173.1817 66 T 5.1458 8.6885 118.4449 62.0622 70.5888 173.7919 67 L 4.8601 9.1441 126.6376 53.6385 44.7042 175.0135 68 H 5.1476 9.0294 118.8065 54.0582 31.2104 173.2190 69 L 4.9101 8.6721 126.0767 53.8116 43.3996 175.7593 70 V 4.4768 8.7531 126.0347 60.6729 34.7172 174.1889 71 L 4.4829 8.5679 130.1937 54.9846 42.7762 176.3751 72 R 4.1016 9.2200 128.0004 56.0625 29.9441 176.0598 73 L 4.2674 8.2798 127.2375 54.9705 42.1983 176.0182 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 4.46 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.71 0.00 2 Q 8.21 4.70 0.00 1.85 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 3 I 9.19 4.51 1.69 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.69 0.74 0.00 0.00 4 F 8.73 5.56 0.00 3.06 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 5 V 8.78 4.86 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 1.08 0.00 0.00 0.93 0.00 0.00 6 K 9.21 4.75 0.00 1.67 1.76 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.50 7.81 7 T 9.40 4.74 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 1.29 0.00 0.00 8 L 8.55 3.99 0.00 1.66 1.78 0.92 0.81 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 9 T 7.91 4.26 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 7.93 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.76 4.16 0.00 1.85 1.69 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.47 7.81 12 T 8.39 5.30 4.13 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 1.13 0.00 0.00 13 I 8.85 4.73 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.76 0.98 0.00 0.00 14 T 8.45 5.22 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 1.48 0.00 0.00 15 L 8.62 4.78 0.00 1.55 1.47 0.91 0.64 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 16 E 8.78 4.80 0.00 1.91 1.83 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 2.19 2.35 0.00 17 V 8.76 4.74 2.12 0.00 0.00 0.00 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 0.85 0.00 0.00 18 E 9.25 4.69 0.00 2.00 1.79 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 2.20 2.38 0.00 19 P 0.00 4.21 0.00 2.15 2.09 0.00 3.56 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 2.09 2.06 0.00 20 S 7.88 4.48 0.00 3.96 3.96 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 0.00 0.00 0.00 21 D 8.24 4.47 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 4.77 4.44 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 1.21 0.00 0.00 23 I 8.46 3.73 2.12 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.00 0.91 0.00 0.00 24 E 8.30 3.98 0.00 2.07 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 2.34 2.42 0.00 25 N 7.98 4.32 0.00 3.00 2.86 0.00 0.00 6.70 7.93 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 26 V 7.77 3.58 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 1.00 0.00 0.00 0.93 0.00 0.00 27 K 8.83 4.29 0.00 1.95 1.84 0.00 1.85 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.67 1.44 7.81 28 A 8.12 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 29 K 7.88 4.12 0.00 1.93 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.62 7.81 30 I 7.80 3.77 2.16 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 1.41 0.89 0.91 0.00 0.00 31 Q 8.01 4.17 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 32 D 7.71 4.37 0.00 2.87 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 33 K 7.77 4.40 0.00 1.86 1.92 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.46 7.81 34 E 8.48 4.60 0.00 2.04 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 2.25 2.43 0.00 35 G 8.02 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 36 I 7.46 4.43 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 1.26 0.91 0.00 0.00 37 P 0.00 4.36 0.00 2.17 1.97 0.00 3.62 0.00 0.00 3.77 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 4.24 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 39 D 8.13 4.37 0.00 2.65 2.74 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 40 Q 8.37 4.58 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 41 Q 8.27 4.84 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 42 R 8.78 4.64 0.00 1.86 1.82 0.00 3.30 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 43 L 8.53 5.28 0.00 1.57 1.50 0.89 0.82 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 44 I 8.79 5.08 1.91 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 1.11 0.70 0.95 0.00 0.00 45 F 9.18 5.02 0.00 3.00 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 46 A 8.81 3.55 0.73 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 0.00 0.00 47 G 8.15 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 48 K 7.82 4.64 0.00 1.93 1.70 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.40 1.52 7.81 49 Q 8.47 4.70 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 50 L 8.64 3.97 0.00 1.39 1.23 0.75 -0.31 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 51 E 9.45 4.63 0.00 2.00 1.92 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 2.31 2.48 0.00 52 D 8.92 4.39 0.00 2.77 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 53 G 8.00 3.83 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 0.00 0.00 0.00 54 R 7.96 4.43 0.00 2.18 1.77 0.00 3.03 0.00 0.00 2.69 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 55 T 8.24 5.03 4.45 0.00 0.00 0.00 0.00 0.00 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 56 L 8.49 4.20 0.00 1.89 1.70 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.28 4.16 0.00 3.86 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 58 D 7.70 4.22 0.00 2.60 2.26 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 0.00 59 Y 7.69 4.67 0.00 3.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.18 0.00 2.95 3.07 0.00 0.00 7.10 7.56 0.00 0.00 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 7.89 3.72 1.86 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 -0.08 0.41 0.60 0.00 0.00 62 Q 8.36 4.60 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 63 K 8.40 4.00 0.00 1.66 1.71 0.00 1.87 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.41 7.81 64 E 9.10 3.42 0.00 2.16 2.28 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 2.15 2.17 0.00 65 S 7.85 4.58 0.00 3.66 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 5.15 4.36 0.00 0.00 0.00 0.00 0.00 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 4.86 0.00 1.52 1.55 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.03 5.15 0.00 3.17 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.67 4.91 0.00 1.64 1.72 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.75 4.48 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 0.89 0.00 0.00 0.94 0.00 0.00 71 L 8.57 4.48 0.00 1.68 1.57 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.22 4.10 0.00 1.86 1.88 0.00 3.52 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 73 L 8.28 4.27 0.00 1.63 1.50 0.92 0.92 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