NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1772 8.3044 120.3353 55.6035 32.9927 175.2758 2 T 2.4800 7.3374 114.6608 60.6435 67.2742 169.8182 3 F 4.9026 8.1709 117.2882 56.5275 40.4770 174.1910 4 I 4.0892 7.1245 126.9968 63.7612 41.1443 176.5434 5 T 3.7338 8.9955 113.8243 62.6563 67.9067 172.3173 6 K 4.4697 7.3836 120.2002 55.8163 32.5334 176.8230 7 T 3.8793 7.9177 108.1212 61.2043 69.1175 171.5627 8 P 4.6063 0.0000 0.0000 61.1420 32.9922 173.8591 9 P 4.4349 0.0000 0.0000 62.3315 31.9530 176.9866 10 A 4.1808 8.5161 121.5039 53.6176 18.4914 178.8041 11 A 4.3748 7.8423 118.0116 52.6676 19.4797 178.4431 12 V 4.1701 7.5457 114.2013 62.3896 33.2828 177.3875 13 L 4.2769 7.8146 119.8598 56.9220 42.4777 178.5685 14 L 3.9606 7.7384 118.4933 57.8769 41.9228 179.5697 15 K 3.9007 8.1710 117.5385 59.2601 31.5634 179.0441 16 K 3.8676 7.6279 118.8672 60.0191 32.2258 177.7991 17 A 3.8810 7.8685 118.5890 55.5359 18.1718 178.8582 18 A 4.0739 7.8611 118.3947 55.4121 18.9161 178.4740 19 G 3.4463 7.2363 104.6812 46.2792 0.0000 174.5108 20 I 4.5044 7.5547 116.7871 60.1564 37.3497 175.9769 21 E 4.2336 7.7420 114.6733 56.8355 30.5660 177.3858 22 S 3.6201 7.9873 108.7112 58.6828 60.3127 170.8776 23 G 4.0594 7.7438 112.8380 47.0879 0.0000 172.6053 24 S 4.8789 7.7928 122.8641 58.1451 65.9839 175.7213 25 G 3.0375 7.3285 107.7436 45.1161 0.0000 173.3921 26 E 4.7376 7.3973 123.5699 54.7216 30.4910 174.4853 27 P 4.6613 0.0000 0.0000 62.1727 33.0134 178.3571 28 N 3.8388 8.2417 110.6465 58.0872 38.1837 176.0401 29 R 4.5272 8.4878 117.0889 56.3170 35.1860 176.3845 30 N 3.9911 9.2538 117.2957 54.0843 37.5103 171.8832 31 K 3.7874 8.5737 118.7261 57.2204 27.8010 176.2377 32 V 4.2416 7.7435 126.4735 61.5132 32.4380 175.7492 33 A 3.8036 7.9035 120.7895 54.4174 15.1854 174.7518 34 T 4.7073 7.8791 108.5984 60.4383 70.8993 174.8177 35 I 4.3965 8.3014 126.8582 59.0732 39.6345 175.3717 36 K 4.0882 8.7368 126.9916 56.8668 33.1423 178.0396 37 R 4.0158 8.8090 120.8230 59.2802 29.9079 178.0953 38 D 4.5199 8.1118 116.7135 55.7857 41.1791 177.0961 39 K 4.3342 7.7538 119.3511 58.0794 33.2081 177.8017 40 V 3.6059 7.4040 117.9983 65.1389 31.3726 177.8280 41 R 3.9851 7.9096 119.4834 58.7395 29.9305 177.6132 42 E 3.8803 8.2161 118.6758 59.7175 29.5173 178.7570 43 I 3.6812 7.6632 118.7937 64.5386 36.9910 178.2782 44 A 4.0514 7.6681 120.0080 55.0221 18.3739 179.0243 45 E 4.0345 8.2105 118.1460 59.3916 29.4964 178.9464 46 L 4.0792 7.8325 117.6913 57.0070 41.9798 178.4750 47 K 4.8392 7.5880 117.3423 55.3963 32.0677 177.9292 48 M 3.9955 7.8204 122.0816 58.3204 32.0891 176.3898 49 P 4.6085 0.0000 0.0000 63.8138 31.9585 175.9939 50 D 4.7674 7.8048 118.2230 54.5513 42.0656 177.2637 51 L 4.3726 7.9117 117.6852 53.9749 42.4138 175.8173 52 N 4.2000 8.1037 115.3944 54.5706 36.7129 173.3061 53 A 4.6257 7.3664 116.5422 50.2544 20.7715 178.1971 54 A 4.2115 8.4791 123.4747 54.4993 19.3072 177.3378 55 S 4.5847 7.4560 108.3620 56.3783 66.0607 175.0435 56 I 3.6551 8.5163 120.1294 64.8752 35.3169 178.1570 57 E 3.8882 8.3630 118.5717 59.4621 28.9211 179.0818 58 A 4.3817 7.7408 119.2102 54.5829 19.5047 178.7304 59 A 4.0866 8.1585 119.8226 54.6158 18.6639 179.1057 60 M 3.8557 8.0605 115.4137 58.5979 32.2084 178.8368 61 R 3.8662 7.4294 116.4235 59.8530 30.3917 178.5263 62 M 4.1763 8.1803 117.9504 58.0250 31.8813 178.6660 63 I 3.8910 7.5758 119.7332 63.5817 36.0545 177.6237 64 E 4.0984 8.2400 120.6086 59.0067 29.6079 178.7923 65 G 3.8784 8.1931 105.6092 47.5687 0.0000 175.6793 66 T 4.1751 7.8971 116.7172 65.3157 68.7381 175.8878 67 A 4.5531 7.8127 121.5349 51.9034 18.8591 178.2782 68 R 5.1126 7.3155 119.8227 57.8179 32.2738 177.8279 69 S 4.3072 7.8802 111.8297 60.8462 62.8839 174.9890 70 M 4.2010 8.1602 118.7739 55.8227 32.3825 176.0221 71 G 3.6885 7.4425 105.9290 45.2454 0.0000 174.2442 72 I 4.5823 7.5738 122.9167 60.5091 38.9030 175.8146 73 V 4.8293 8.3109 125.0206 60.0134 34.8872 174.3788 74 V 5.3812 7.9011 118.6269 59.8175 34.2083 175.2202 75 E 4.3465 8.8668 125.1491 54.2111 29.8536 175.9455 76 D 4.5383 8.6444 122.8313 54.6443 41.1336 176.6125 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 4.18 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 2 T 7.34 2.48 4.05 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 1.15 0.00 0.00 3 F 8.17 4.90 0.00 3.14 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 4 I 7.12 4.09 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.83 0.94 0.00 0.00 5 T 9.00 3.73 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 1.18 0.00 0.00 6 K 7.38 4.47 0.00 1.79 1.87 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.37 7.81 7 T 7.92 3.88 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 1.25 0.00 0.00 8 P 0.00 4.61 0.00 2.21 2.12 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 9 P 0.00 4.43 0.00 2.24 2.21 0.00 3.70 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 2.07 1.96 0.00 10 A 8.52 4.18 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 11 A 7.84 4.37 1.28 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 0.00 0.00 0.00 12 V 7.55 4.17 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 0.75 0.00 0.00 0.93 0.00 0.00 13 L 7.81 4.28 0.00 1.73 1.74 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.74 3.96 0.00 1.79 1.71 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.17 3.90 0.00 1.97 1.89 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.54 1.52 7.81 16 K 7.63 3.87 0.00 1.96 1.81 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 17 A 7.87 3.88 1.29 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 0.00 0.00 0.00 18 A 7.86 4.07 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 19 G 7.24 3.45 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 0.00 0.00 0.00 0.00 20 I 7.55 4.50 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 1.41 0.57 0.91 0.00 0.00 21 E 7.74 4.23 0.00 1.95 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 2.29 2.29 0.00 22 S 7.99 3.62 0.00 3.99 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 23 G 7.74 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.79 4.88 0.00 3.85 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 25 G 7.33 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 0.00 0.00 0.00 26 E 7.40 4.74 0.00 1.91 1.86 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 2.20 2.26 0.00 27 P 0.00 4.66 0.00 2.18 2.13 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 28 N 8.24 3.84 0.00 2.73 2.72 0.00 0.00 6.98 7.66 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 29 R 8.49 4.53 0.00 1.75 1.77 0.00 3.36 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 30 N 9.25 3.99 0.00 2.86 2.85 0.00 0.00 7.02 7.61 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 31 K 8.57 3.79 0.00 1.92 1.91 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.48 7.81 32 V 7.74 4.24 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 0.79 0.00 0.00 0.96 0.00 0.00 33 A 7.90 3.80 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.88 4.71 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 35 I 8.30 4.40 2.02 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 1.23 0.91 0.91 0.00 0.00 36 K 8.74 4.09 0.00 1.71 1.78 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.48 7.81 37 R 8.81 4.02 0.00 2.07 1.91 0.00 3.14 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 38 D 8.11 4.52 0.00 2.69 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 39 K 7.75 4.33 0.00 1.84 1.76 0.00 1.63 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.52 7.81 40 V 7.40 3.61 2.25 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 0.79 0.00 0.00 0.93 0.00 0.00 41 R 7.91 3.99 0.00 1.93 2.05 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 42 E 8.22 3.88 0.00 2.28 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 2.39 2.44 0.00 43 I 7.66 3.68 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 1.46 0.75 0.91 0.00 0.00 44 A 7.67 4.05 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 45 E 8.21 4.03 0.00 2.18 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 2.30 2.35 0.00 46 L 7.83 4.08 0.00 1.81 1.72 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.59 4.84 0.00 1.81 1.79 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.28 7.81 48 M 7.82 4.00 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.49 0.00 49 P 0.00 4.61 0.00 2.22 2.14 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 50 D 7.80 4.77 0.00 2.89 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 51 L 7.91 4.37 0.00 1.64 1.70 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.10 4.20 0.00 2.84 2.94 0.00 0.00 6.91 7.96 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 53 A 7.37 4.63 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 0.00 0.00 0.00 0.00 0.00 54 A 8.48 4.21 1.29 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 0.00 0.00 0.00 55 S 7.46 4.58 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 56 I 8.52 3.66 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 1.64 0.84 0.91 0.00 0.00 57 E 8.36 3.89 0.00 2.00 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 0.00 2.41 2.42 0.00 58 A 7.74 4.38 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 59 A 8.16 4.09 1.30 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 0.00 0.00 0.00 60 M 8.06 3.86 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.58 0.00 61 R 7.43 3.87 0.00 2.15 1.91 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 62 M 8.18 4.18 0.00 2.11 2.10 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 2.81 2.58 0.00 63 I 7.58 3.89 2.04 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 1.74 1.20 0.94 0.00 0.00 64 E 8.24 4.10 0.00 2.19 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 2.29 2.32 0.00 65 G 8.19 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 66 T 7.90 4.18 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 1.25 0.00 0.00 67 A 7.81 4.55 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 68 R 7.32 5.11 0.00 2.07 1.85 0.00 3.15 0.00 0.00 3.26 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 69 S 7.88 4.31 0.00 3.99 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 70 M 8.16 4.20 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 71 G 7.44 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 0.00 0.00 0.00 72 I 7.57 4.58 2.11 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 0.91 1.32 0.92 0.00 0.00 73 V 8.31 4.83 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 0.83 0.00 0.00 0.93 0.00 0.00 74 V 7.90 5.38 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 0.84 0.00 0.00 0.99 0.00 0.00 75 E 8.87 4.35 0.00 1.91 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 2.34 2.24 0.00 76 D 8.64 4.54 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00