NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4285 8.3044 120.2645 55.2699 33.8692 173.4578 2 Q 4.2771 8.1195 119.4408 54.3033 32.0800 171.5047 3 E 5.1033 8.7681 124.8420 55.1580 32.5843 174.8684 4 G 4.3811 8.9898 109.0784 45.6890 0.0000 171.2667 5 K 5.1626 8.6950 118.1800 54.0716 35.9781 176.6247 6 V 3.8056 8.7801 125.5537 63.3381 31.9673 176.4879 7 K 4.2287 9.2132 131.0361 58.9129 32.5571 176.6069 8 W 5.2057 7.7492 114.5397 55.9392 31.3999 172.8006 9 F 4.7840 8.9135 122.4427 57.2088 42.0956 172.6459 10 N 4.9179 8.5978 126.3931 52.0143 39.5484 175.0546 11 N 4.6628 8.9367 123.8440 54.1606 38.2413 175.7620 12 E 4.0879 8.1883 119.7499 58.7128 30.1723 177.4343 13 K 3.9134 8.3537 117.4755 57.2218 32.3980 177.6017 14 G 3.8048 9.6158 107.4165 45.6176 0.0000 172.0282 15 Y 4.7125 5.9176 115.5427 55.9967 41.5595 173.2404 16 G 2.5778 7.4199 104.0449 45.9076 0.0000 172.2799 17 F 4.9724 7.1337 118.1287 55.7032 43.9274 173.9220 18 I 4.6760 8.6571 122.8804 59.6430 39.3861 174.4501 19 E 4.8901 9.3195 128.7442 55.5197 31.2688 175.2959 20 V 4.9381 8.2075 118.5350 59.2351 35.6945 174.9746 21 E 4.1193 9.0355 124.7757 57.5723 29.7478 176.9705 22 G 3.9723 9.2321 111.2803 46.0257 0.0000 172.8254 23 G 4.2541 7.7279 106.4842 43.5274 0.0000 173.5124 24 S 4.3655 8.4011 115.3632 58.0263 63.4365 174.4197 25 D 4.8065 8.6155 123.1270 54.9454 41.6235 175.8574 26 V 4.5513 8.7955 122.4303 60.7121 34.0717 174.7019 27 F 3.6078 8.9613 130.5198 58.1308 40.7238 173.8781 28 V 4.2165 7.2444 124.7400 59.9754 34.2185 173.9709 29 H 5.2020 8.2667 124.3409 53.9713 32.1007 175.4854 30 F 4.3240 8.8605 118.9840 59.8852 37.8522 177.5462 31 T 3.6188 6.9069 109.8370 63.4117 68.8811 174.7728 32 A 4.2419 8.0329 124.8693 53.0460 19.2377 177.1374 33 I 4.3056 7.4821 117.7862 61.0762 37.6537 176.0738 34 Q 4.2849 8.6915 124.8444 55.0229 30.0713 175.3727 35 G 3.8801 8.6492 105.1632 45.4189 0.0000 173.2630 36 E 4.2594 8.2696 116.0115 56.1576 29.8904 176.9595 37 G 3.7741 7.5851 108.3146 44.1634 0.0000 173.2712 38 F 4.1907 8.1537 117.6438 58.0477 39.5253 177.1354 39 K 4.3812 8.5111 125.2818 55.3867 30.3841 175.6158 40 T 4.4623 7.2156 113.6913 60.2895 71.1980 172.1915 41 L 4.7800 6.9860 123.1892 52.8361 45.9801 175.5410 42 E 4.8054 8.7169 117.1365 53.8171 32.5993 174.8706 43 E 4.2521 8.8365 120.3830 58.4337 29.8087 177.5796 44 G 4.0143 9.1555 114.7457 45.1973 0.0000 173.5113 45 Q 4.1557 7.9392 121.9714 56.0572 30.2948 175.2739 46 A 4.7688 8.5969 127.9146 52.1261 19.9218 176.6385 47 V 5.0504 8.9653 114.3643 59.7485 36.8028 174.4678 48 S 5.4600 8.5304 117.4173 57.0355 66.0823 172.8273 49 F 5.2271 8.4407 115.1139 57.4917 41.5915 172.2075 50 E 4.8969 9.1007 119.1061 54.7746 32.2353 175.2322 51 I 4.9596 8.2014 123.2470 60.3319 38.5769 175.5417 52 V 4.5984 8.8931 119.6989 59.5958 36.0419 174.5480 53 Q 4.7879 8.7258 121.6054 54.8701 29.9975 175.6820 54 G 4.1809 8.6575 114.6149 43.3164 0.0000 173.2146 55 N 4.4111 8.6276 115.4389 54.9803 37.2857 175.8159 56 R 4.2908 7.6144 116.1629 55.4081 31.1621 174.6026 57 G 3.8441 7.6958 104.2546 43.2322 0.0000 171.4155 58 P 5.0058 0.0000 0.0000 63.1106 32.0443 175.9360 59 Q 4.9016 9.2399 120.1908 54.9539 32.4668 173.3524 60 A 4.9744 8.6860 122.3888 51.7261 19.5026 176.8325 61 A 4.6206 9.0590 122.0486 49.8539 22.8677 175.2092 62 N 4.0027 8.3966 114.8404 54.5987 37.4134 174.8237 63 V 4.3880 7.9217 118.8973 62.6884 33.2870 175.3984 64 V 4.6153 8.8386 129.2979 60.7592 33.6481 174.8065 65 K 4.4304 8.7256 128.0986 56.5402 32.6219 176.9352 66 E 4.3179 8.8157 124.2598 56.4089 29.2348 176.0668 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 4.43 0.00 1.90 2.05 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 2.47 2.45 0.00 2 Q 8.12 4.28 0.00 1.67 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.75 0.00 0.00 0.00 0.00 0.00 1.16 2.04 0.00 3 E 8.77 5.10 0.00 1.88 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 2.18 2.22 0.00 4 G 8.99 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 5 K 8.69 5.16 0.00 1.77 1.70 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 6 V 8.78 3.81 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 1.04 0.00 0.00 0.85 0.00 0.00 7 K 9.21 4.23 0.00 1.90 2.06 0.00 2.11 0.00 0.00 2.04 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.75 1.53 7.81 8 W 7.75 5.21 0.00 3.52 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.91 4.78 0.00 2.91 3.06 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 10 N 8.60 4.92 0.00 2.94 2.45 0.00 0.00 6.58 6.65 0.00 0.00 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 N 8.94 4.66 0.00 2.89 3.09 0.00 0.00 6.22 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 12 E 8.19 4.09 0.00 1.88 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 2.19 2.26 0.00 13 K 8.35 3.91 0.00 1.02 1.07 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.33 7.81 14 G 9.62 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 5.92 4.71 0.00 2.61 2.96 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 16 G 7.42 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 0.00 0.00 0.00 17 F 7.13 4.97 0.00 2.81 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 18 I 8.66 4.68 1.47 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.47 0.69 0.00 0.00 19 E 9.32 4.89 0.00 2.07 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 2.32 2.34 0.00 20 V 8.21 4.94 2.19 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 1.24 0.00 0.00 1.11 0.00 0.00 21 E 9.04 4.12 0.00 1.98 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 2.35 2.35 0.00 22 G 9.23 3.97 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 0.00 0.00 0.00 23 G 7.73 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 0.00 0.00 0.00 0.00 24 S 8.40 4.37 0.00 3.95 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 D 8.62 4.81 0.00 2.60 2.82 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 0.00 0.00 0.00 26 V 8.80 4.55 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.20 0.00 0.00 27 F 8.96 3.61 0.00 2.79 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 28 V 7.24 4.22 1.70 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 0.42 0.00 0.00 0.74 0.00 0.00 29 H 8.27 5.20 0.00 3.21 3.10 0.00 5.68 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.86 4.32 0.00 3.58 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.91 3.62 4.03 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 0.49 0.00 0.00 32 A 8.03 4.24 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.48 4.31 1.96 0.00 0.00 0.63 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 0.51 0.84 0.00 0.00 34 Q 8.69 4.28 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.35 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 35 G 8.65 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 E 8.27 4.26 0.00 1.91 1.91 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 2.22 2.19 0.00 37 G 7.59 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 0.00 0.00 0.00 38 F 8.15 4.19 0.00 3.04 2.96 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 39 K 8.51 4.38 0.00 1.98 2.15 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 40 T 7.22 4.46 4.27 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 0.00 0.00 0.00 1.21 0.00 0.00 41 L 6.99 4.78 0.00 0.79 1.19 0.53 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.72 4.81 0.00 2.14 2.00 0.00 0.00 0.00 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 2.21 0.00 43 E 8.84 4.25 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 44 G 9.16 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.94 4.16 0.00 2.24 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 46 A 8.60 4.77 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 47 V 8.97 5.05 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 0.66 0.00 0.00 0.98 0.00 0.00 48 S 8.53 5.46 0.00 3.87 4.29 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 49 F 8.44 5.23 0.00 3.19 3.07 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 0.00 0.00 0.00 0.00 50 E 9.10 4.90 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 51 I 8.20 4.96 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.61 0.99 0.00 0.00 52 V 8.89 4.60 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 0.78 0.00 0.00 1.03 0.00 0.00 53 Q 8.73 4.79 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 54 G 8.66 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 0.00 0.00 0.00 55 N 8.63 4.41 0.00 2.81 2.94 0.00 0.00 5.85 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 56 R 7.61 4.29 0.00 1.64 1.84 0.00 2.99 0.00 0.00 3.09 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 57 G 7.70 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 58 P 0.00 5.01 0.00 2.04 2.06 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 59 Q 9.24 4.90 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 60 A 8.69 4.97 1.04 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 61 A 9.06 4.62 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.40 4.00 0.00 2.91 2.83 0.00 0.00 6.59 7.71 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 63 V 7.92 4.39 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.85 0.00 0.00 64 V 8.84 4.62 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 0.92 0.00 0.00 0.94 0.00 0.00 65 K 8.73 4.43 0.00 1.66 1.72 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.41 7.81 66 E 8.82 4.32 0.00 1.85 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 2.28 2.43 0.00