NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5097 8.3049 120.3252 55.4163 32.4422 173.8145 2 D 4.5105 8.0323 124.7644 53.0682 44.2869 170.9048 3 E 4.1269 8.7528 117.6675 58.8263 31.5205 176.9386 4 G 3.9985 8.1928 113.1968 46.2922 0.0000 171.7734 5 D 4.5942 7.6630 125.0373 52.7874 41.1829 176.6837 6 K 4.6870 7.2876 121.3736 54.6586 40.3500 176.2253 7 K 4.2101 7.1114 114.9717 57.2078 35.3099 173.4852 8 S 4.4101 8.1428 113.1697 57.5797 63.3775 174.3372 9 P 4.5466 0.0000 0.0000 65.6915 31.2576 178.4393 10 I 3.7035 7.7078 119.2722 64.5850 36.9376 177.8426 11 S 4.1431 8.0766 114.8783 61.9652 62.6962 176.4735 12 Q 4.6247 7.5685 121.5919 58.6578 28.6923 178.6092 13 V 3.6143 8.6830 119.8985 66.3553 31.6350 177.8269 14 H 4.0994 8.7063 116.1629 58.8084 28.6367 177.4585 15 E 3.9683 8.8498 120.7075 59.7971 29.3841 179.7286 16 I 3.8760 8.5975 120.1428 64.1541 37.0665 178.6131 17 G 3.6728 8.6763 107.0947 47.8753 0.0000 175.8255 18 I 3.8992 8.0566 121.3545 64.0107 37.4202 178.0168 19 K 3.9921 8.3321 119.3738 59.7270 31.9613 176.9224 20 R 4.2009 8.8628 118.0706 54.0862 31.5848 175.5466 21 N 5.3467 6.8588 133.7238 54.5054 40.7006 174.5195 22 M 4.7964 8.8260 119.5712 53.5877 36.6209 177.2136 23 T 3.8838 8.5114 114.1468 61.3333 69.7081 173.9784 24 V 3.4798 7.9641 128.1889 62.5414 31.9371 174.7277 25 H 4.9003 8.4187 125.4070 53.9132 32.2421 172.7426 26 F 5.3277 8.7959 121.4548 56.0353 41.5033 174.8239 27 K 4.7164 9.4158 120.8646 55.6723 37.3426 174.6095 28 V 5.1937 8.1831 119.7880 60.6057 33.7229 175.1618 29 L 4.5224 8.7621 124.9459 55.5194 42.8340 176.9700 30 R 4.6878 7.2912 115.0344 55.0386 34.6280 176.4876 31 E 3.3493 9.3328 118.4252 57.5262 28.3825 173.4337 32 E 3.9636 9.4681 121.2201 56.3687 29.8733 171.3633 33 G 4.0782 8.7144 102.2844 44.0587 0.0000 170.6290 34 P 4.1796 0.0000 0.0000 64.8515 31.3925 178.1779 35 A 4.4070 8.1140 123.2768 51.0913 16.7736 176.8541 36 H 4.7117 7.6291 116.3746 55.2376 32.5348 173.5947 37 M 4.4887 8.1577 118.4625 53.6117 32.6638 173.4530 38 K 4.4383 7.5617 121.8697 57.1237 31.4682 175.2256 39 N 4.3760 8.0509 124.4607 54.8757 41.9183 171.6818 40 F 4.1235 7.8290 113.7482 57.6575 38.7078 174.4711 41 I 5.1554 7.7410 121.1268 60.1689 38.2323 173.6095 42 T 4.7627 8.6375 119.9878 62.6881 70.0273 174.2443 43 A 5.2413 9.4844 128.9578 50.3788 22.4431 174.8672 44 C 5.2024 9.3741 117.3099 57.8986 32.1422 173.0683 45 I 4.8216 8.8659 123.7762 59.1516 40.4957 174.5453 46 V 5.2219 8.0996 126.8139 57.8656 35.0920 175.6414 47 G 4.1268 7.6745 107.1652 45.0534 0.0000 172.6063 48 S 5.1781 7.5553 124.1925 59.3680 64.5446 176.0182 49 I 4.3242 6.7646 111.6503 60.1758 40.1942 172.5879 50 V 4.8673 8.0178 118.8996 61.6314 35.0109 175.3222 51 T 4.5471 9.1842 120.7715 61.9832 72.0460 172.9922 52 E 4.4989 8.9618 128.0549 55.8083 31.3953 176.7765 53 G 3.9476 8.6910 112.2836 44.2362 0.0000 172.5788 54 E 5.4473 7.7689 131.1555 55.2567 26.9984 177.5381 55 G 3.5824 7.8809 108.5521 46.0768 0.0000 172.8058 56 N 5.2665 9.7104 124.0403 48.8079 38.6438 173.8125 57 G 4.3792 9.0733 115.2066 44.4214 0.0000 171.7234 58 K 3.8044 8.2301 120.6166 58.2933 32.1207 177.7976 59 K 4.2343 7.8306 117.7236 56.2072 32.7350 175.2336 60 V 4.2846 7.3989 116.8248 62.1553 34.8821 170.6527 61 S 3.9138 8.6686 123.3916 59.0299 62.6560 168.6078 62 K 4.1052 8.7068 133.3666 57.2693 31.5473 177.9746 63 K 3.8268 7.6316 117.9511 59.4749 32.3922 178.6926 64 R 3.8416 7.9032 118.1745 59.3257 30.0318 178.1014 65 A 3.9757 7.9435 119.6783 55.2799 18.5381 179.2555 66 A 4.1874 8.1394 119.2698 55.2045 18.3716 179.2699 67 E 3.8577 8.7890 118.1511 59.4127 29.6787 178.9629 68 K 3.8664 8.1097 119.4391 59.8443 32.2541 178.2099 69 M 4.0782 8.0896 118.3684 58.6675 32.0647 178.2256 70 L 3.9857 8.3595 119.6890 57.8708 41.7386 179.7571 71 V 3.7868 8.3169 118.3231 64.6034 31.3313 177.6646 72 E 4.1252 8.6181 120.1316 59.0358 29.2265 178.4667 73 L 4.1228 8.3766 119.1529 57.7655 41.4294 179.1138 74 Q 4.1745 8.5646 116.6438 57.4478 28.6661 177.3173 75 K 4.2861 8.1847 120.4964 56.9370 32.9008 175.8833 76 L 4.3338 7.4590 121.9986 54.7044 42.0210 175.9672 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 4.51 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 D 8.03 4.51 0.00 2.65 2.54 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 0.00 0.00 0.00 0.00 3 E 8.75 4.13 0.00 1.92 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 2.23 2.34 0.00 4 G 8.19 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 5 D 7.66 4.59 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.29 4.69 0.00 1.72 1.81 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.40 7.81 7 K 7.11 4.21 0.00 1.88 1.75 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.21 1.23 7.81 8 S 8.14 4.41 0.00 3.84 3.73 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 9 P 0.00 4.55 0.00 2.31 2.28 0.00 3.70 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 1.98 2.10 0.00 10 I 7.71 3.70 1.74 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.24 0.91 0.00 0.00 11 S 8.08 4.14 0.00 3.87 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 12 Q 7.57 4.62 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 13 V 8.68 3.61 2.51 0.00 0.00 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 1.09 0.00 0.00 14 H 8.71 4.10 0.00 3.50 3.39 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.85 3.97 0.00 2.15 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 0.00 2.36 2.63 0.00 16 I 8.60 3.88 1.92 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 1.69 0.81 0.91 0.00 0.00 17 G 8.68 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.06 3.90 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.73 0.92 0.00 0.00 19 K 8.33 3.99 0.00 1.96 1.85 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.61 7.81 20 R 8.86 4.20 0.00 1.99 1.75 0.00 3.46 0.00 0.00 3.14 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 21 N 6.86 5.35 0.00 2.81 2.77 0.00 0.00 6.69 7.64 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 22 M 8.83 4.80 0.00 1.71 1.83 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 23 T 8.51 3.88 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 1.21 0.00 0.00 24 V 7.96 3.48 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.90 0.00 0.00 25 H 8.42 4.90 0.00 2.95 3.03 0.00 5.63 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.80 5.33 0.00 2.98 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.42 4.72 0.00 1.65 1.71 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.42 7.81 28 V 8.18 5.19 2.15 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 1.38 0.00 0.00 0.99 0.00 0.00 29 L 8.76 4.52 0.00 1.70 1.72 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.29 4.69 0.00 1.76 1.76 0.00 3.37 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 31 E 9.33 3.35 0.00 2.02 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 1.70 2.14 0.00 32 E 9.47 3.96 0.00 2.30 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 2.32 0.00 33 G 8.71 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.18 0.00 2.21 1.98 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 35 A 8.11 4.41 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 36 H 7.63 4.71 0.00 3.13 3.53 0.00 5.84 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 M 8.16 4.49 0.00 1.81 1.92 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 38 K 7.56 4.44 0.00 1.69 1.76 0.00 1.72 0.00 0.00 0.61 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.86 7.81 39 N 8.05 4.38 0.00 2.25 1.42 0.00 0.00 7.22 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 40 F 7.83 4.12 0.00 3.39 2.93 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 41 I 7.74 5.16 1.95 0.00 0.00 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 1.48 1.57 0.96 0.00 0.00 42 T 8.64 4.76 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 1.26 0.00 0.00 43 A 9.48 5.24 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 44 C 9.37 5.20 0.00 2.85 2.73 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 45 I 8.87 4.82 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.44 0.87 0.00 0.00 46 V 8.10 5.22 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 0.95 0.00 0.00 0.83 0.00 0.00 47 G 7.67 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 0.00 0.00 0.00 0.00 48 S 7.56 5.18 0.00 3.81 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 49 I 6.76 4.32 1.86 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 1.17 0.41 0.90 0.00 0.00 50 V 8.02 4.87 2.07 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 0.90 0.00 0.00 0.91 0.00 0.00 51 T 9.18 4.55 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 1.26 0.00 0.00 52 E 8.96 4.50 0.00 1.98 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 2.29 2.40 0.00 53 G 8.69 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 54 E 7.77 5.45 0.00 1.88 1.99 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 2.35 2.25 0.00 55 G 7.88 3.58 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 0.00 0.00 0.00 56 N 9.71 5.27 0.00 2.72 2.81 0.00 0.00 7.29 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.07 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.23 3.80 0.00 1.72 1.86 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.39 7.81 59 K 7.83 4.23 0.00 1.68 1.78 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.38 7.81 60 V 7.40 4.28 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 0.77 0.00 0.00 0.91 0.00 0.00 61 S 8.67 3.91 0.00 4.14 3.77 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 62 K 8.71 4.11 0.00 1.89 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.10 1.18 7.81 63 K 7.63 3.83 0.00 1.79 1.72 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.44 7.81 64 R 7.90 3.84 0.00 1.94 1.94 0.00 3.27 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 65 A 7.94 3.98 1.44 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 0.00 0.00 0.00 66 A 8.14 4.19 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 67 E 8.79 3.86 0.00 2.27 1.97 0.00 0.00 0.00 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 2.32 0.00 68 K 8.11 3.87 0.00 1.89 1.97 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.46 1.47 7.81 69 M 8.09 4.08 0.00 2.47 2.11 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.63 0.00 70 L 8.36 3.99 0.00 1.91 1.71 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.32 3.79 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 0.90 0.00 0.00 0.94 0.00 0.00 72 E 8.62 4.13 0.00 2.27 1.97 0.00 0.00 0.00 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 2.39 0.00 73 L 8.38 4.12 0.00 1.83 1.70 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.56 4.17 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 75 K 8.18 4.29 0.00 1.84 1.82 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.46 7.81 76 L 7.46 4.33 0.00 1.66 1.50 0.92 0.80 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