NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2532 8.0427 122.7458 55.0017 43.9552 174.7045 2 Q 4.7687 8.4387 127.5187 52.5681 31.1075 172.6084 3 I 4.6787 9.0181 120.2355 58.9848 42.1736 173.5680 4 F 5.3747 8.7695 120.9516 55.7087 42.4510 174.7910 5 V 4.8786 8.8783 121.6105 61.1623 34.5927 174.1735 6 K 5.0686 8.9448 128.0671 55.1126 34.1496 177.2186 7 T 4.6824 8.6365 115.7673 60.6134 70.1054 175.2745 8 L 4.1034 8.3806 120.4982 57.0594 41.5958 178.1423 9 T 4.2280 7.7203 107.3978 61.2709 69.2166 175.7494 10 G 3.9219 8.1961 111.0095 45.1761 0.0000 173.8389 11 K 4.0542 7.5250 121.1754 56.5499 32.7758 175.4434 12 T 4.8706 8.3277 122.2787 62.5269 69.9153 173.9509 13 I 4.5258 8.9583 127.5234 59.9379 39.7221 174.5891 14 T 5.0268 8.5887 123.1094 61.9174 70.3551 173.8497 15 L 4.8096 8.6732 125.9068 52.7630 45.5853 174.8954 16 E 5.0430 8.6542 122.7825 54.7606 31.1540 175.1841 17 V 4.6718 8.5792 119.2243 60.0767 36.5839 174.2458 18 E 4.6919 9.3121 121.2835 54.0219 31.5393 175.9485 19 P 4.1554 0.0000 0.0000 65.8355 31.1979 177.7850 20 S 4.5822 7.8024 111.8178 57.9397 63.2571 173.7541 21 D 4.4588 7.9103 122.1522 54.5843 41.2823 176.5480 22 T 4.6951 8.2300 113.2964 61.4601 71.1054 175.7811 23 I 3.7157 8.5040 123.4359 64.5376 37.0652 178.4059 24 E 3.9380 8.3445 120.2143 59.4285 29.5128 178.6955 25 N 4.3338 8.3797 116.5845 56.2411 38.5991 177.5908 26 V 3.5784 7.7739 119.6305 65.9557 31.5863 178.1479 27 K 4.3597 8.7147 119.7566 58.9560 31.8865 179.1594 28 A 3.9971 8.0285 120.9755 55.0339 18.2501 179.8932 29 K 3.9761 7.8844 116.6589 59.5823 32.0802 179.6909 30 I 3.7180 7.9043 120.2142 64.2391 36.9613 178.1311 31 Q 4.0775 8.2703 120.5393 59.4063 28.6498 178.2596 32 D 4.3612 7.9099 118.5000 57.3590 40.9414 178.6878 33 K 4.1887 7.9193 117.8385 58.7917 32.2260 177.7928 34 E 4.5041 8.1798 114.4974 54.9748 31.4154 176.9467 35 G 3.8774 8.6017 107.0714 45.5563 0.0000 173.3648 36 I 4.0349 7.5010 120.5862 59.4623 37.7700 174.1814 37 P 4.3487 0.0000 0.0000 61.9648 32.0028 175.5280 38 P 4.2167 0.0000 0.0000 65.7746 31.3581 177.6581 39 D 4.5959 8.0408 114.6078 54.5920 39.6711 176.4900 40 Q 4.4239 7.9457 118.1788 56.0466 29.8349 175.5694 41 Q 4.2804 7.8977 119.1660 55.1310 29.6823 174.6110 42 R 4.7796 8.4601 122.0872 54.5176 33.3852 173.5177 43 L 5.3100 8.5664 125.5514 53.0603 44.9872 175.3586 44 I 5.0262 8.6254 122.7455 59.4510 41.3061 174.1904 45 F 5.0433 8.7482 127.6269 56.4783 42.1864 174.7950 46 A 3.4220 9.1164 130.1368 53.2118 15.6794 177.6377 47 G 3.8620 8.1149 106.0087 46.4450 0.0000 173.7249 48 K 4.4892 7.8814 120.4815 54.3502 33.6988 175.3297 49 Q 4.5491 8.5714 125.3689 55.9985 29.7025 174.8725 50 L 4.0564 8.4459 127.0683 53.6305 43.1028 175.9109 51 E 4.6098 9.3167 123.5867 54.8158 31.3727 177.1095 52 D 4.3614 9.0280 123.5363 57.4240 41.0773 178.4041 53 G 3.8783 7.9912 104.5984 45.9815 0.0000 173.5755 54 R 4.3937 8.0072 120.2138 55.2628 31.5719 175.4298 55 T 5.0810 8.1543 109.5236 59.7147 71.2330 174.9479 56 L 4.2324 8.5733 122.6598 57.9742 42.0069 180.2491 57 S 4.1659 8.2744 113.3262 61.2417 63.0490 176.1361 58 D 4.2221 7.6842 120.3477 56.8254 40.3353 176.7976 59 Y 4.6264 7.9628 114.6786 57.0095 38.1923 175.4695 60 N 4.2974 7.9158 116.0486 54.1986 36.7635 174.4196 61 I 3.3516 7.0069 115.9140 60.7996 37.8841 175.6351 62 Q 4.6550 8.6416 123.2191 53.5197 31.6191 174.2888 63 K 4.0387 8.4361 116.8232 58.6292 32.6550 176.5974 64 E 3.8624 9.0492 121.0917 56.8414 27.8184 174.7959 65 S 4.5377 7.8338 115.7719 59.3044 64.1855 173.3152 66 T 5.1668 8.7624 118.8191 61.9972 70.7120 173.5990 67 L 5.0899 9.1711 126.3534 53.4839 45.0791 175.0376 68 H 5.3016 8.9125 118.0753 53.9443 31.9896 173.2653 69 L 4.8363 8.7424 123.6764 54.7898 42.1939 176.6898 70 V 4.6003 8.5829 116.0563 58.9889 36.1864 175.8907 71 L 4.1502 8.3891 120.1955 55.3210 41.5188 177.4292 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 L 8.04 4.25 0.00 1.76 1.70 0.85 0.36 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 2 Q 8.44 4.77 0.00 2.12 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.60 0.00 0.00 0.00 0.00 0.00 1.81 2.34 0.00 3 I 9.02 4.68 1.72 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.42 0.75 0.00 0.00 4 F 8.77 5.37 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 5 V 8.88 4.88 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 0.95 0.00 0.00 0.92 0.00 0.00 6 K 8.94 5.07 0.00 1.58 1.71 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.34 7.81 7 T 8.64 4.68 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 8 L 8.38 4.10 0.00 1.67 1.78 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.72 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 8.20 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 11 K 7.53 4.05 0.00 1.94 1.69 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.42 7.81 12 T 8.33 4.87 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 1.23 0.00 0.00 13 I 8.96 4.53 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 1.25 0.82 0.93 0.00 0.00 14 T 8.59 5.03 4.32 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 1.20 0.00 0.00 15 L 8.67 4.81 0.00 1.46 1.46 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.65 5.04 0.00 1.89 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 2.16 2.33 0.00 17 V 8.58 4.67 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 0.69 0.00 0.00 0.91 0.00 0.00 18 E 9.31 4.69 0.00 1.86 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 19 P 0.00 4.16 0.00 2.19 2.30 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 20 S 7.80 4.58 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 21 D 7.91 4.46 0.00 2.86 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.70 4.46 0.00 0.00 0.00 0.00 0.00 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 23 I 8.50 3.72 2.16 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 1.77 1.03 0.90 0.00 0.00 24 E 8.34 3.94 0.00 2.25 1.95 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 2.31 2.40 0.00 25 N 8.38 4.33 0.00 2.95 2.84 0.00 0.00 6.68 7.29 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 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 8.71 4.36 0.00 1.99 1.85 0.00 1.83 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.50 7.81 28 A 8.03 4.00 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 29 K 7.88 3.98 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 1.62 7.81 30 I 7.90 3.72 2.13 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 1.41 0.72 0.91 0.00 0.00 31 Q 8.27 4.08 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 32 D 7.91 4.36 0.00 2.87 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 7.92 4.19 0.00 1.90 1.88 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.59 1.62 7.81 34 E 8.18 4.50 0.00 2.02 1.93 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 2.23 2.36 0.00 35 G 8.60 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.50 4.03 1.87 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 1.42 0.59 0.91 0.00 0.00 37 P 0.00 4.35 0.00 2.17 1.98 0.00 3.62 0.00 0.00 3.97 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 4.22 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.04 4.60 0.00 2.77 2.79 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 40 Q 7.95 4.42 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 41 Q 7.90 4.28 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 42 R 8.46 4.78 0.00 1.84 1.93 0.00 3.13 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 43 L 8.57 5.31 0.00 1.57 1.49 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.63 5.03 1.89 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 1.12 0.98 0.95 0.00 0.00 45 F 8.75 5.04 0.00 2.99 2.79 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 46 A 9.12 3.42 0.56 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 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.11 3.86 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 0.00 0.00 0.00 48 K 7.88 4.49 0.00 1.97 1.82 0.00 1.86 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.42 1.53 7.81 49 Q 8.57 4.55 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.45 4.06 0.00 1.40 1.22 0.75 -0.20 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 51 E 9.32 4.61 0.00 2.05 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 2.32 2.40 0.00 52 D 9.03 4.36 0.00 2.76 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 7.99 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.01 4.39 0.00 2.20 1.85 0.00 3.09 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 55 T 8.15 5.08 4.32 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 1.26 0.00 0.00 56 L 8.57 4.23 0.00 1.92 1.70 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.27 4.17 0.00 3.99 4.18 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 0.00 0.00 0.00 0.00 58 D 7.68 4.22 0.00 2.44 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 7.96 4.63 0.00 3.23 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 60 N 7.92 4.30 0.00 3.02 3.04 0.00 0.00 6.94 7.54 0.00 0.00 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 7.01 3.35 1.80 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 -0.09 0.59 0.00 0.00 62 Q 8.64 4.66 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 63 K 8.44 4.04 0.00 1.86 1.84 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.48 7.81 64 E 9.05 3.86 0.00 2.26 2.45 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 2.26 2.34 0.00 65 S 7.83 4.54 0.00 3.72 3.69 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 66 T 8.76 5.17 4.37 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 1.19 0.00 0.00 67 L 9.17 5.09 0.00 1.55 1.58 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.91 5.30 0.00 3.06 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.74 4.84 0.00 1.66 1.61 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.58 4.60 2.08 0.00 0.00 0.00 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 0.97 0.00 0.00 71 L 8.39 4.15 0.00 1.63 1.58 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00