NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8784 8.3393 109.7352 45.6106 0.0000 172.9738 2 S 4.3601 8.4240 115.8010 56.1462 64.2338 171.7045 3 S 4.5403 8.4873 113.3739 58.2891 63.8154 176.8239 4 G 3.9940 8.4340 110.5479 47.1728 0.0000 174.0097 5 S 4.4174 8.2359 120.7036 57.5846 63.5837 173.4416 6 S 4.5105 8.4933 115.1421 59.6268 64.3569 175.0314 7 G 4.0320 7.7219 106.2045 44.9779 0.0000 172.6604 8 S 4.9213 8.2941 115.8820 56.5915 65.7494 173.9029 9 T 4.5454 8.5795 122.0805 63.9115 69.4028 173.3937 10 M 5.5003 9.1315 125.8927 52.7816 36.1020 174.5371 11 T 4.7499 8.2354 118.2618 61.3886 71.3771 173.7710 12 V 4.0158 8.8407 127.4122 63.6894 31.8230 176.4256 13 I 4.1083 8.5472 122.6383 62.5938 38.4667 176.2760 14 K 4.7316 7.7478 119.7240 54.0541 36.3472 175.9100 15 D 4.6469 8.5645 121.9782 55.2661 42.6889 174.1021 16 Y 4.5177 8.4569 122.3274 56.6238 42.8086 172.7933 17 Y 4.9219 6.0464 119.3100 55.7599 41.8203 175.7484 18 A 4.3905 8.6554 125.9222 51.6402 17.9298 177.4714 19 L 4.0938 9.1775 123.9411 57.4612 41.2184 177.7165 20 K 4.6512 7.9687 117.2508 53.9940 34.8947 176.6579 21 E 4.3242 8.6717 117.4741 59.4701 30.0209 178.1308 22 N 4.5870 8.2180 116.9014 55.4060 37.8755 175.0194 23 E 4.9730 7.6460 118.0294 56.2647 30.1718 176.7142 24 I 4.7715 7.7601 112.7316 59.1903 40.6912 174.8660 25 C 4.6475 8.6708 121.1179 60.0025 29.0126 173.3322 26 V 5.1650 8.5209 114.2725 59.4876 36.5000 173.7798 27 S 5.4573 8.4259 115.2125 54.9032 66.6236 172.4165 28 Q 4.0108 8.7788 124.5456 59.5601 28.4470 174.3757 29 G 3.4703 8.7887 121.1295 45.7471 0.0000 173.4494 30 E 4.1114 8.0846 120.5095 56.3849 30.8493 176.4877 31 V 4.6471 8.1778 121.9518 61.3197 33.7320 174.8542 32 V 4.6215 8.7225 120.2002 59.5909 36.4556 174.2795 33 Q 4.8267 8.2666 120.0084 53.9477 31.3396 176.0210 34 V 3.9434 8.4426 124.7172 63.2524 32.2876 176.2178 35 L 4.4973 8.4221 125.5000 55.9992 44.5335 175.8924 36 A 4.3788 6.9995 117.6969 51.6675 22.5045 174.9640 37 V 5.1577 8.6160 117.8205 61.4865 34.7766 174.0503 38 N 5.2264 9.2507 123.9561 51.3768 41.7783 175.4016 39 Q 4.1083 8.6833 119.6062 58.3608 28.8127 176.4765 40 Q 4.2796 7.9754 119.1680 55.6556 28.8711 174.2363 41 N 4.2175 8.0047 112.5399 54.6667 37.9754 173.2831 42 M 4.9827 7.8720 113.9094 53.4470 36.0704 175.0946 43 C 5.1629 9.0829 117.4891 57.7526 31.8527 173.1292 44 L 2.7335 8.0662 127.9914 55.2368 41.6528 175.5581 45 V 4.7024 7.9698 118.9460 59.4422 34.5010 174.4348 46 Y 4.3407 8.9235 126.7042 56.4953 40.1937 173.9807 47 Q 4.5589 8.2230 129.8828 53.7360 30.2399 173.5855 48 P 4.6116 0.0000 0.0000 61.8859 32.2767 175.7215 49 A 3.7571 8.3170 121.1907 52.9782 18.2198 177.0227 50 S 4.6593 9.1898 116.1660 56.4299 66.1552 174.4015 51 D 4.4163 8.8966 123.3496 58.0255 40.7000 178.3641 52 H 4.3846 8.1214 114.1533 58.3826 29.0802 175.7108 53 S 4.5995 7.6036 111.1657 56.1476 65.6622 172.3094 54 P 4.5725 0.0000 0.0000 61.5732 32.0933 175.4218 55 A 3.8410 8.2592 120.0356 53.1236 18.4607 176.7059 56 A 4.3975 8.5767 122.8273 50.8683 23.3397 174.5343 57 E 4.4942 8.6775 122.3740 54.6990 31.0110 175.4224 58 G 4.8534 8.5819 113.4251 44.2644 0.0000 171.2262 59 W 5.0059 8.8861 121.1286 56.0486 30.8756 175.9094 60 V 4.2738 8.3550 115.7309 58.5240 36.2912 173.1906 61 P 4.4594 0.0000 0.0000 62.4672 31.3709 177.3960 62 G 4.0844 8.0724 115.8363 48.1441 0.0000 174.8030 63 S 4.0250 8.1280 113.8778 60.9531 62.6833 174.5040 64 I 4.2664 8.3535 112.4778 60.5294 37.5743 174.5048 65 L 5.1430 7.6425 120.3422 53.5681 44.0833 175.6777 66 A 4.7845 8.0997 122.3283 49.5734 23.2980 174.0475 67 P 4.3974 0.0000 0.0000 62.5827 31.0878 175.9615 68 F 4.8249 8.3753 127.1875 58.8772 40.2473 174.0715 69 S 4.2164 6.1388 114.3579 56.9776 66.1176 172.0719 70 G 3.6829 8.6106 115.1955 44.1962 0.0000 173.1182 71 P 4.2103 0.0000 0.0000 64.0019 33.3079 177.6854 72 S 3.6371 8.5006 116.3490 59.8943 60.4212 172.8359 73 S 4.1554 8.0448 117.3073 60.5086 63.0028 173.7052 74 G 3.7231 7.8417 112.0938 45.5656 0.0000 172.3725 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 3.88 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 2 S 8.42 4.36 0.00 4.05 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 3 S 8.49 4.54 0.00 3.93 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 4 G 8.43 3.99 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 0.00 0.00 0.00 5 S 8.24 4.42 0.00 3.83 3.78 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 6 S 8.49 4.51 0.00 3.96 3.90 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 7 G 7.72 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 0.00 0.00 0.00 0.00 8 S 8.29 4.92 0.00 3.76 3.78 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 9 T 8.58 4.55 4.37 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 1.27 0.00 0.00 10 M 9.13 5.50 0.00 1.98 1.88 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 2.70 2.33 0.00 11 T 8.24 4.75 4.22 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 1.14 0.00 0.00 12 V 8.84 4.02 2.21 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 1.06 0.00 0.00 0.93 0.00 0.00 13 I 8.55 4.11 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 1.30 0.72 0.96 0.00 0.00 14 K 7.75 4.73 0.00 1.58 1.67 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.41 7.81 15 D 8.56 4.65 0.00 2.78 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 16 Y 8.46 4.52 0.00 2.87 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 17 Y 6.05 4.92 0.00 2.58 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.39 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 19 L 9.18 4.09 0.00 1.86 1.76 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.97 4.65 0.00 2.04 1.72 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.44 7.81 21 E 8.67 4.32 0.00 2.10 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 0.00 2.29 2.33 0.00 22 N 8.22 4.59 0.00 3.27 3.23 0.00 0.00 6.14 7.40 0.00 0.00 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 E 7.65 4.97 0.00 2.37 2.21 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 2.73 2.42 0.00 24 I 7.76 4.77 1.89 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 1.24 0.71 1.00 0.00 0.00 25 C 8.67 4.65 0.00 2.92 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 26 V 8.52 5.17 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 1.15 0.00 0.00 0.99 0.00 0.00 27 S 8.43 5.46 0.00 3.83 3.65 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 0.00 0.00 0.00 0.00 28 Q 8.78 4.01 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 29 G 8.79 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 4.11 0.00 2.03 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 2.33 2.27 0.00 31 V 8.18 4.65 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 0.55 0.00 0.00 0.59 0.00 0.00 32 V 8.72 4.62 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 0.61 0.00 0.00 0.92 0.00 0.00 33 Q 8.27 4.83 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 34 V 8.44 3.94 2.05 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 0.87 0.00 0.00 0.89 0.00 0.00 35 L 8.42 4.50 0.00 1.36 1.53 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.00 4.38 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 37 V 8.62 5.16 2.16 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 0.99 0.00 0.00 0.98 0.00 0.00 38 N 9.25 5.23 0.00 1.93 2.32 0.00 0.00 6.78 6.01 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 39 Q 8.68 4.11 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.24 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 40 Q 7.98 4.28 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 41 N 8.00 4.22 0.00 3.05 2.84 0.00 0.00 7.10 6.95 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 42 M 7.87 4.98 0.00 2.32 2.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 43 C 9.08 5.16 0.00 2.92 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 44 L 8.07 2.73 0.00 0.27 0.79 -0.14 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.97 4.70 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 0.49 0.00 0.00 0.86 0.00 0.00 46 Y 8.92 4.34 0.00 2.91 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.22 4.56 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 48 P 0.00 4.61 0.00 2.27 2.19 0.00 3.85 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 49 A 8.32 3.76 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 50 S 9.19 4.66 0.00 3.88 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 51 D 8.90 4.42 0.00 2.51 2.65 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 0.00 0.00 0.00 0.00 52 H 8.12 4.38 0.00 3.16 3.36 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.60 4.60 0.00 3.98 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 54 P 0.00 4.57 0.00 2.19 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 1.97 1.95 0.00 55 A 8.26 3.84 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 56 A 8.58 4.40 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.68 4.49 0.00 1.99 1.84 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 2.06 2.33 0.00 58 G 8.58 4.85 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 0.00 0.00 0.00 59 W 8.89 5.01 0.00 3.31 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 60 V 8.35 4.27 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.85 0.00 0.00 61 P 0.00 4.46 0.00 2.17 2.20 0.00 2.55 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.87 0.00 62 G 8.07 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 63 S 8.13 4.02 0.00 3.84 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 64 I 8.35 4.27 2.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.59 0.92 0.00 0.00 65 L 7.64 5.14 0.00 1.68 1.58 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.10 4.78 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.10 2.15 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 68 F 8.38 4.82 0.00 3.01 3.15 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 0.00 0.00 0.00 0.00 69 S 6.14 4.22 0.00 3.78 3.60 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 70 G 8.61 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.21 0.00 2.22 2.09 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 72 S 8.50 3.64 0.00 3.95 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 73 S 8.04 4.16 0.00 3.90 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 74 G 7.84 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