NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0029 8.3549 109.7375 45.6842 0.0000 173.0687 2 S 4.4213 8.0862 114.9439 55.8431 66.8824 172.1866 3 S 4.4473 8.7160 119.2296 57.3290 63.8780 175.2074 4 G 3.9109 8.3925 117.5846 44.5863 0.0000 171.9844 5 S 4.0712 8.1204 119.6884 59.2019 63.5636 174.6765 6 S 4.5794 9.3427 119.9752 56.9351 61.9475 173.6440 7 G 5.1178 8.0662 127.0700 46.6628 0.0000 170.9650 8 E 4.1172 7.4892 121.1640 55.8634 29.9678 177.9761 9 I 3.7643 8.3472 117.4951 63.3467 38.0235 176.3785 10 S 4.2277 7.1577 112.5876 58.3887 62.9490 174.0512 11 G 3.9620 8.5335 113.3247 45.0048 0.0000 172.8823 12 F 4.3271 8.5472 119.0575 57.0820 39.3423 176.0688 13 G 4.1640 8.6040 114.2124 45.2161 0.0000 173.3243 14 Q 4.1146 8.0865 117.9610 55.8802 29.2015 176.2050 15 C 4.5193 8.2136 118.6576 58.9301 29.8807 172.8048 16 L 4.4258 7.9798 121.2031 54.0222 44.6203 174.8867 17 V 4.6411 7.9447 118.0862 59.3180 35.5971 174.4481 18 W 5.3004 8.7140 121.7708 55.0715 32.8973 175.0514 19 V 4.4477 8.8026 116.5731 59.5189 34.3794 174.3597 20 Q 4.1370 7.7711 126.4386 54.3956 29.6706 174.8171 21 C 4.4190 8.4917 127.0412 60.1590 31.8312 173.6097 22 S 4.2357 8.3765 117.1817 60.1945 62.6083 175.0096 23 F 4.6015 7.5802 119.1546 56.4079 39.5725 174.4938 24 P 4.2559 0.0000 0.0000 65.9346 31.4173 177.6513 25 N 4.3751 8.2681 115.2850 55.0847 36.8504 174.7062 26 C 4.2394 7.5421 117.2272 57.4677 28.8333 173.9302 27 G 4.0651 8.2080 108.5928 46.4869 0.0000 172.7713 28 K 5.0976 7.3137 116.6340 54.0844 34.3409 176.4529 29 W 5.1898 8.9854 123.8773 55.6630 29.4681 176.3402 30 R 4.5026 9.3920 125.2620 55.8579 31.3956 175.6444 31 R 4.0996 8.3620 121.8419 54.8067 31.4048 175.8496 32 L 4.3127 7.2703 126.0097 53.1898 43.7021 175.9533 33 C 3.9728 8.3626 118.5609 60.9141 31.5498 175.4233 34 G 5.0355 7.2218 121.4828 46.6013 0.0000 171.9755 35 N 4.9420 7.6213 117.2184 52.8497 38.0813 174.6804 36 I 4.5654 7.5842 118.1483 60.5270 40.8413 174.5901 37 D 5.0101 8.2162 122.6697 51.4523 44.0299 174.9468 38 P 4.2911 0.0000 0.0000 65.6367 31.8069 177.9711 39 S 4.2585 8.0955 114.5126 61.3788 62.8650 175.7169 40 V 3.9189 7.5913 111.7590 63.0357 31.9371 176.7698 41 L 4.2347 7.3129 118.8656 53.5355 41.9359 174.9793 42 P 4.5648 0.0000 0.0000 62.6709 32.0910 175.8477 43 D 4.5368 8.5567 117.9231 55.9583 41.4273 176.0186 44 N 4.8285 7.8289 115.4559 52.1061 38.2958 174.9308 45 W 4.2497 8.0666 128.5601 58.5378 31.5972 174.5968 46 S 4.7539 6.5438 117.1783 56.3801 66.1210 174.3832 47 C 3.9410 8.3689 116.6982 62.8020 27.8478 175.8814 48 D 4.8518 7.6319 116.9471 55.9591 40.9034 176.1734 49 Q 4.3622 6.9186 117.2996 55.7310 28.8734 174.9462 50 N 5.2403 7.8128 116.0403 52.8946 40.2777 174.8123 51 T 4.1531 8.4591 112.3588 62.8289 69.9935 174.2384 52 D 4.6609 7.9785 122.3514 52.7587 40.9006 176.8464 53 V 3.9119 8.4779 121.3369 64.4602 31.7364 178.0878 54 Q 3.9898 8.2504 117.4667 58.5498 29.1657 176.1174 55 Y 4.8652 8.2927 116.0096 57.3126 39.1728 174.8182 56 N 5.6159 8.0345 112.0610 51.7840 38.3501 174.5674 57 R 4.9117 7.5842 116.1961 55.3422 33.9276 175.6420 58 C 4.3767 8.6218 116.1742 60.6671 28.5189 173.9468 59 D 4.6530 7.7746 118.6036 54.9735 41.9071 176.6848 60 I 3.8683 7.1218 120.3817 60.2733 37.4515 174.2497 61 P 4.6333 0.0000 0.0000 62.3287 32.4282 175.7836 62 E 4.3215 8.5505 118.1213 55.4972 30.1857 176.0827 63 E 4.1757 8.6364 121.8140 56.6587 29.6939 177.0089 64 T 4.1131 8.6285 123.1329 63.5062 69.1152 174.0621 65 W 4.0297 8.9995 124.3266 57.2082 29.2441 175.6706 66 T 4.6107 8.7773 118.2177 59.2590 68.9294 173.7040 67 G 4.7389 8.0861 124.8232 45.3032 0.0000 172.1737 68 L 4.1817 8.2141 128.1369 54.4863 42.9936 176.3511 69 E 4.1809 8.6560 121.5470 56.6675 29.7441 176.5123 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 G 8.35 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 2 S 8.09 4.42 0.00 3.89 3.72 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 3 S 8.72 4.45 0.00 3.82 3.76 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 0.00 0.00 0.00 0.00 4 G 8.39 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 0.00 0.00 0.00 5 S 8.12 4.07 0.00 3.87 3.82 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 6 S 9.34 4.58 0.00 3.79 3.76 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 0.00 0.00 0.00 0.00 7 G 8.07 5.12 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 0.00 0.00 0.00 8 E 7.49 4.12 0.00 2.00 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 2.39 2.23 0.00 9 I 8.35 3.76 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.37 0.89 0.00 0.00 10 S 7.16 4.23 0.00 3.85 3.76 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 0.00 0.00 0.00 0.00 11 G 8.53 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 12 F 8.55 4.33 0.00 3.08 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 13 G 8.60 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.09 4.11 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.08 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 15 C 8.21 4.52 0.00 2.93 2.86 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 16 L 7.98 4.43 0.00 1.50 1.53 0.72 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.94 4.64 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 0.86 0.00 0.00 0.83 0.00 0.00 18 W 8.71 5.30 0.00 2.95 3.26 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 19 V 8.80 4.45 0.80 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 0.18 0.00 0.00 0.04 0.00 0.00 20 Q 7.77 4.14 0.00 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.97 0.00 0.00 0.00 0.00 0.00 1.75 1.16 0.00 21 C 8.49 4.42 0.00 3.16 2.90 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 22 S 8.38 4.24 0.00 3.83 3.44 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 23 F 7.58 4.60 0.00 3.15 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 24 P 0.00 4.26 0.00 2.22 2.22 0.00 4.03 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 25 N 8.27 4.38 0.00 2.83 3.01 0.00 0.00 5.98 7.50 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 26 C 7.54 4.24 0.00 3.30 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 G 8.21 4.07 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 0.00 0.00 0.00 28 K 7.31 5.10 0.00 1.97 1.87 0.00 1.78 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.43 7.81 29 W 8.99 5.19 0.00 3.16 3.36 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 0.00 30 R 9.39 4.50 0.00 2.08 2.25 0.00 3.51 0.00 0.00 3.55 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.24 0.00 31 R 8.36 4.10 0.00 1.20 1.47 0.00 2.80 0.00 0.00 2.88 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.50 0.00 32 L 7.27 4.31 0.00 1.53 1.52 0.69 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 33 C 8.36 3.97 0.00 2.95 2.88 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 34 G 7.22 5.04 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 35 N 7.62 4.94 0.00 2.82 2.89 0.00 0.00 5.81 7.80 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 36 I 7.58 4.57 1.80 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 1.29 0.65 0.86 0.00 0.00 37 D 8.22 5.01 0.00 2.68 2.44 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 38 P 0.00 4.29 0.00 2.21 2.15 0.00 3.81 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 39 S 8.10 4.26 0.00 3.88 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 40 V 7.59 3.92 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 0.70 0.00 0.00 0.96 0.00 0.00 41 L 7.31 4.23 0.00 1.75 1.56 0.69 1.09 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 42 P 0.00 4.56 0.00 2.45 2.12 0.00 3.95 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.17 0.00 43 D 8.56 4.54 0.00 2.64 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 44 N 7.83 4.83 0.00 2.72 2.82 0.00 0.00 5.94 8.87 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 45 W 8.07 4.25 0.00 3.50 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 46 S 6.54 4.75 0.00 3.85 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 47 C 8.37 3.94 0.00 3.00 3.13 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 48 D 7.63 4.85 0.00 2.53 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 49 Q 6.92 4.36 0.00 0.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.12 1.87 0.00 50 N 7.81 5.24 0.00 3.05 2.86 0.00 0.00 7.54 8.03 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 51 T 8.46 4.15 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 1.27 0.00 0.00 52 D 7.98 4.66 0.00 2.83 2.76 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 0.00 0.00 0.00 0.00 53 V 8.48 3.91 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 0.86 0.00 0.00 0.93 0.00 0.00 54 Q 8.25 3.99 0.00 2.35 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.48 0.00 0.00 0.00 0.00 0.00 2.35 2.66 0.00 55 Y 8.29 4.87 0.00 2.91 2.99 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 0.00 0.00 0.00 56 N 8.03 5.62 0.00 2.94 3.24 0.00 0.00 6.64 7.65 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 57 R 7.58 4.91 0.00 1.80 1.79 0.00 3.26 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 58 C 8.62 4.38 0.00 2.93 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 59 D 7.77 4.65 0.00 2.59 2.67 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 60 I 7.12 3.87 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.63 0.82 0.00 0.00 61 P 0.00 4.63 0.00 2.30 2.14 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 62 E 8.55 4.32 0.00 2.19 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 2.56 2.44 0.00 63 E 8.64 4.18 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 64 T 8.63 4.11 4.35 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 1.32 0.00 0.00 65 W 9.00 4.03 0.00 3.22 3.25 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 66 T 8.78 4.61 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 1.18 0.00 0.00 67 G 8.09 4.74 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 0.00 0.00 0.00 68 L 8.21 4.18 0.00 1.62 1.59 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.66 4.18 0.00 2.13 1.94 0.00 0.00 0.00 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 2.31 0.00