NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9750 8.3393 109.7362 45.1825 0.0000 174.0960 2 S 4.3138 8.3131 118.4192 56.1671 65.6126 172.7613 3 S 4.3477 8.8234 119.9515 57.9907 64.0565 175.5364 4 G 3.9340 8.0668 115.4310 43.1646 0.0000 171.5858 5 S 3.9091 7.9323 114.0991 58.9195 63.2649 174.4624 6 S 4.1948 8.9800 124.4485 61.6262 62.4405 175.3813 7 G 3.5254 7.4171 103.8608 49.1438 0.0000 172.2460 8 D 4.6378 7.8374 117.2764 52.0333 44.9228 174.6188 9 M 4.6142 8.3688 123.7105 52.5195 33.3259 173.8720 10 P 4.4697 0.0000 0.0000 61.9818 32.3658 175.6274 11 V 3.8175 7.9353 112.3562 62.3337 31.8380 175.1015 12 D 4.6883 7.9863 117.7093 52.9500 44.2631 174.8794 13 P 4.5195 0.0000 0.0000 63.6264 31.5508 176.6446 14 N 4.3591 7.7020 119.0053 56.5291 38.7881 174.2851 15 E 4.8192 7.6682 114.0573 53.4762 33.9600 173.5568 16 P 4.4119 0.0000 0.0000 62.9388 32.1833 175.4872 17 T 5.2662 7.8637 109.1599 59.9763 69.8926 172.2907 18 Y 4.3305 7.7233 117.4110 59.0168 41.4157 175.7794 19 C 3.8718 7.6918 118.6290 59.2601 32.6366 175.0075 20 L 3.9064 8.6646 122.8523 57.9983 41.2733 178.7202 21 C 4.0641 8.2744 115.0240 61.3875 28.1856 173.2912 22 H 4.1823 8.1562 115.3131 57.2768 26.3449 174.2175 23 Q 4.8129 7.8244 115.6549 53.7010 32.2077 175.7757 24 V 4.9690 8.4539 112.7095 60.1652 32.4962 176.2503 25 S 3.9655 8.4831 116.0673 58.8603 63.0314 173.1112 26 Y 4.4039 8.1912 120.2039 56.7535 39.6577 174.4281 27 G 3.9316 8.9852 110.8361 45.1412 0.0000 172.6101 28 E 3.8732 8.1052 117.0190 56.6416 30.1118 176.6284 29 M 6.2300 8.7650 122.2300 52.7492 36.9529 173.5790 30 I 4.6365 8.3544 112.3033 59.3929 42.0302 173.8476 31 G 3.7185 7.9301 108.8720 43.5715 0.0000 172.9922 32 C 4.6011 8.7459 126.3591 59.4053 32.2614 173.0079 33 D 4.0993 8.3482 127.3448 56.7790 41.0997 176.1802 34 N 4.3090 7.8395 118.3423 53.2991 38.9761 173.4377 35 P 4.3285 0.0000 0.0000 65.3143 31.9643 177.4263 36 D 4.4383 8.1856 118.6093 56.8672 41.1338 176.4932 37 C 3.7458 7.3163 117.0047 60.1599 31.9367 173.8340 38 S 4.3804 8.8154 122.9054 61.5521 62.7780 175.7028 39 I 3.8203 7.6392 119.6749 63.1670 37.2954 177.4312 40 E 3.9234 8.2592 117.3138 56.6352 26.9775 174.4145 41 W 5.4899 7.6020 113.8633 57.1052 33.2391 174.4535 42 F 4.9107 8.7402 122.3584 56.1091 43.6247 173.4597 43 H 4.7239 8.7788 118.4210 55.6863 29.8483 175.6043 44 F 3.8695 10.0119 121.5065 60.6020 38.4921 177.7857 45 A 4.0871 8.1738 122.2711 55.8033 18.4507 179.2696 46 C 4.3889 7.9835 113.8482 62.8137 28.7373 176.2580 47 V 4.1650 8.4091 112.4754 63.1699 33.0077 176.6255 48 G 3.9675 7.8957 103.5952 46.9195 0.0000 174.6980 49 L 4.5798 7.5827 119.1344 52.9753 43.6922 177.5411 50 T 4.3131 8.5829 120.9560 65.5398 69.0517 174.5460 51 T 4.8409 7.3840 108.7068 59.3969 71.9977 173.0475 52 K 4.1789 8.7132 123.2700 55.1494 31.9633 174.5809 53 P 4.3591 0.0000 0.0000 62.4469 31.9250 176.2384 54 R 4.1676 8.3869 122.9329 57.2056 31.8524 175.6992 55 G 4.0984 8.5788 110.4197 44.5999 0.0000 175.2229 56 K 4.6947 8.4338 122.3983 54.5757 35.2460 174.4391 57 W 5.1019 8.0974 130.3791 55.9541 34.3330 173.1534 58 F 4.5233 8.0803 125.6821 54.9935 40.3181 175.5210 59 C 2.6254 7.5357 118.6851 57.2315 29.5610 172.7027 60 P 4.2663 0.0000 0.0000 63.8571 30.6923 176.8796 61 R 4.3960 7.3990 117.3824 56.9722 31.8294 176.8113 62 C 4.3496 7.6942 114.5860 61.7360 29.1220 174.7487 63 S 3.9772 8.1054 112.6446 61.4996 62.2848 175.4728 64 Q 4.2636 7.6782 117.2233 55.4388 26.7588 174.8006 65 E 4.4811 7.3800 118.8302 54.8695 32.0991 175.6909 66 S 4.3911 8.8676 122.5675 58.5678 62.1217 173.5161 67 G 3.9556 7.8232 117.2811 44.4536 0.0000 170.1840 68 P 4.3327 0.0000 0.0000 63.5850 31.4824 174.9610 69 S 3.9754 7.1388 113.9272 58.7371 61.6907 173.0554 70 S 4.8282 8.1537 120.6736 56.4632 64.9255 174.1508 71 G 3.7188 8.2527 112.1900 46.1328 0.0000 172.9944 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 8.34 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.31 4.31 0.00 4.02 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 4.35 0.00 3.85 3.79 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 4 G 8.07 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 0.00 0.00 0.00 5 S 7.93 3.91 0.00 3.84 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.98 4.19 0.00 3.90 3.89 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 0.00 0.00 0.00 7 G 7.42 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.84 4.64 0.00 2.56 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.37 4.61 0.00 2.12 2.02 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 2.46 2.55 0.00 10 P 0.00 4.47 0.00 2.20 2.12 0.00 3.79 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 1.99 1.99 0.00 11 V 7.94 3.82 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 0.81 0.00 0.00 0.94 0.00 0.00 12 D 7.99 4.69 0.00 2.75 2.50 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 0.00 0.00 0.00 0.00 13 P 0.00 4.52 0.00 2.17 2.16 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 14 N 7.70 4.36 0.00 2.66 2.94 0.00 0.00 6.87 7.52 0.00 0.00 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 E 7.67 4.82 0.00 1.97 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 2.21 2.28 0.00 16 P 0.00 4.41 0.00 1.90 2.08 0.00 3.74 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 2.29 1.99 0.00 17 T 7.86 5.27 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 1.31 0.00 0.00 18 Y 7.72 4.33 0.00 2.71 2.91 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 19 C 7.69 3.87 0.00 2.66 2.70 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 0.00 0.00 0.00 0.00 20 L 8.66 3.91 0.00 1.75 1.77 1.29 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.27 4.06 0.00 3.16 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.16 4.18 0.00 3.37 3.41 0.00 5.59 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.82 4.81 0.00 2.41 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.14 6.92 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 24 V 8.45 4.97 2.27 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 1.08 0.00 0.00 1.05 0.00 0.00 25 S 8.48 3.97 0.00 3.57 3.59 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 26 Y 8.19 4.40 0.00 2.92 2.91 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 27 G 8.99 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 0.00 0.00 0.00 28 E 8.11 3.87 0.00 1.16 1.12 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 1.74 1.92 0.00 29 M 8.77 6.23 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.34 0.00 30 I 8.35 4.64 1.37 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.36 0.41 0.00 0.00 31 G 7.93 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 0.00 0.00 0.00 32 C 8.75 4.60 0.00 3.16 2.89 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 0.00 0.00 0.00 33 D 8.35 4.10 0.00 2.02 1.54 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 34 N 7.84 4.31 0.00 2.93 2.73 0.00 0.00 7.01 7.73 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 35 P 0.00 4.33 0.00 2.23 2.17 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 36 D 8.19 4.44 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 C 7.32 3.75 0.00 3.16 2.94 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 0.00 0.00 0.00 38 S 8.82 4.38 0.00 3.94 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 39 I 7.64 3.82 1.84 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 1.37 0.50 0.75 0.00 0.00 40 E 8.26 3.92 0.00 2.09 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 2.55 0.00 41 W 7.60 5.49 0.00 3.16 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 42 F 8.74 4.91 0.00 3.06 3.01 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 43 H 8.78 4.72 0.00 3.21 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 10.01 3.87 0.00 2.99 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 45 A 8.17 4.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.98 4.39 0.00 3.39 3.16 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 47 V 8.41 4.16 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 0.92 0.00 0.00 0.70 0.00 0.00 48 G 7.90 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 49 L 7.58 4.58 0.00 1.09 0.79 -0.24 0.55 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 50 T 8.58 4.31 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 51 T 7.38 4.84 4.31 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 1.26 0.00 0.00 52 K 8.71 4.18 0.00 1.92 1.87 0.00 1.85 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.60 7.81 53 P 0.00 4.36 0.00 2.24 2.02 0.00 3.54 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.59 0.00 54 R 8.39 4.17 0.00 1.79 1.88 0.00 3.28 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 55 G 8.58 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.43 4.69 0.00 1.46 1.71 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.38 1.61 7.81 57 W 8.10 5.10 0.00 3.28 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 58 F 8.08 4.52 0.00 2.48 2.64 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 0.00 0.00 0.00 0.00 59 C 7.54 2.63 0.00 1.73 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.12 2.12 0.00 3.14 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.95 0.00 61 R 7.40 4.40 0.00 1.79 2.03 0.00 3.49 0.00 0.00 3.57 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 62 C 7.69 4.35 0.00 2.90 2.95 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 63 S 8.11 3.98 0.00 3.59 3.74 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 64 Q 7.68 4.26 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.50 0.00 0.00 0.00 0.00 0.00 2.46 2.25 0.00 65 E 7.38 4.48 0.00 2.08 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 2.32 0.00 66 S 8.87 4.39 0.00 3.84 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 67 G 7.82 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 68 P 0.00 4.33 0.00 2.16 2.16 0.00 3.77 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 69 S 7.14 3.98 0.00 3.82 3.85 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 70 S 8.15 4.83 0.00 3.93 3.66 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 0.00 0.00 0.00 0.00 71 G 8.25 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 0.00 0.00 0.00