NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2584 8.2649 123.5820 50.6008 19.4606 176.4071 2 P 3.9291 0.0000 0.0000 61.4860 32.1571 175.2674 3 M 4.1770 8.7017 123.4973 55.0449 33.7820 175.6226 4 G 3.8684 8.3235 112.2878 44.8447 0.0000 173.9247 5 S 4.0373 8.7352 114.0196 60.2618 62.4828 175.2393 6 D 4.7631 8.3104 115.7396 50.3360 41.6497 172.2227 7 P 4.2183 0.0000 0.0000 62.5706 33.6717 173.3004 8 P 3.6321 0.0000 0.0000 64.8562 30.6834 177.5420 9 T 4.0944 8.1590 117.7923 62.9811 70.5062 170.7598 10 A 4.7388 7.8055 125.1447 50.9540 19.0019 176.2659 11 C 4.6625 7.5914 120.3706 54.5433 45.7906 172.6247 12 C 4.5600 8.2592 121.6017 57.0210 40.4280 173.6770 13 F 4.4125 8.6242 120.0301 57.7246 41.0497 175.7031 14 S 4.0633 7.5199 112.2613 56.8597 65.5232 172.6919 15 Y 4.9368 7.5588 118.4933 56.2033 40.6192 175.6320 16 T 4.1614 7.9860 116.6489 61.9600 68.0056 174.8900 17 A 4.2383 8.6276 130.3932 53.7017 19.1005 177.5056 18 R 4.4683 7.4145 114.8020 54.0687 31.6500 175.9892 19 K 4.0057 8.3570 122.6845 55.6031 32.9072 176.5817 20 L 3.9971 8.0986 125.0819 53.3448 41.8956 175.1967 21 P 4.4591 0.0000 0.0000 62.5144 32.5104 177.2631 22 R 3.8473 9.0060 119.8389 59.8869 30.0787 178.8101 23 N 4.0592 8.0409 112.8769 55.9157 38.7774 175.4571 24 F 4.8071 8.5118 116.7773 56.4168 39.5371 176.3689 25 V 4.8540 8.2885 121.8501 62.8935 32.2442 173.5347 26 V 4.2268 8.2664 119.7520 61.7896 32.9557 175.1215 27 D 4.9681 7.6378 118.3512 54.2898 45.5805 172.9413 28 Y 5.1733 7.7601 116.2802 57.6196 40.5319 172.9001 29 Y 4.5319 9.3612 115.7609 57.1354 42.9123 173.9239 30 E 4.9769 8.7754 121.3931 55.2756 31.6718 176.4381 31 T 4.1427 8.3312 110.7642 62.9820 69.1900 176.5008 32 S 4.3427 8.9726 118.0775 57.6733 66.3427 174.2816 33 S 4.6159 8.5844 113.2452 59.4288 65.1662 175.8828 34 L 4.1524 8.1691 119.5898 56.0952 41.6769 175.3510 35 C 4.9299 7.9169 114.6381 53.3648 43.1480 175.3670 36 S 4.4919 8.6250 121.9232 57.7763 62.1100 174.2397 37 Q 4.7325 8.0402 109.8890 54.7587 30.0724 171.9554 38 P 4.4284 0.0000 0.0000 65.4907 33.3738 175.0314 39 A 4.3045 7.3370 118.7232 52.8703 23.7136 175.5598 40 V 4.6189 7.5538 118.0380 61.4931 33.8597 174.7041 41 V 5.0316 8.9001 127.6712 61.0344 34.1085 174.0962 42 F 5.4956 8.3137 122.6778 55.3169 40.8204 174.9310 43 Q 5.2193 9.6715 123.0194 54.5192 30.9751 173.8419 44 T 5.2520 8.6799 112.8362 59.9888 69.4050 174.4304 45 A 4.5743 9.5260 118.8995 52.8425 21.3691 176.6284 46 A 4.9079 7.9062 116.6546 50.9325 18.8113 175.6291 47 S 4.6540 7.2284 115.0044 56.5305 70.0800 176.6244 48 A 5.0449 7.2394 127.6230 51.4788 17.1507 176.6293 49 Q 4.7993 7.9494 114.1850 53.2121 34.3088 175.7312 50 V 4.1962 7.7931 121.5562 61.4652 34.9585 173.6383 51 C 4.9761 8.8770 124.8978 57.6921 40.2323 172.6023 52 A 5.0703 8.9113 121.5212 50.8249 22.3390 175.5735 53 D 3.7008 8.6424 123.3011 53.3738 41.5151 174.8146 54 P 4.5094 0.0000 0.0000 63.6713 31.5410 177.2802 55 S 4.1395 8.5561 114.6354 60.1962 63.3195 173.8546 56 E 4.4678 7.5937 121.7227 54.6444 30.6942 176.5253 57 S 3.8530 8.6918 118.4458 61.5149 62.2164 176.2180 58 W 4.3607 7.8216 120.8023 59.8400 28.8340 178.4630 59 V 3.5435 7.9215 118.3364 65.9017 30.9598 178.2091 60 Q 3.9731 7.7625 117.5335 58.7678 28.5627 178.0048 61 E 3.8975 8.6283 120.8883 59.3383 29.7792 178.4544 62 Y 4.0104 8.4726 117.0587 60.8905 37.8832 178.6999 63 V 3.1717 7.8273 118.8538 66.1091 31.4690 177.6669 64 Y 4.0109 8.1358 115.2894 61.2456 37.5723 178.2045 65 D 4.5126 8.4432 119.9039 57.3817 40.7482 178.7602 66 L 4.1123 7.6032 117.9253 57.0144 41.6134 178.9232 67 E 4.1971 7.7805 117.5796 59.9102 29.7024 178.0343 68 L 4.1144 7.6608 119.5074 56.4449 41.6298 176.4819 69 N 4.4866 7.9108 124.0531 54.0898 39.0222 175.2468 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 A 8.26 4.26 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 2 P 0.00 3.93 0.00 2.13 2.06 0.00 3.69 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 2.04 2.13 0.00 3 M 8.70 4.18 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 4 G 8.32 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.74 4.04 0.00 3.99 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 6 D 8.31 4.76 0.00 2.60 2.57 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 7 P 0.00 4.22 0.00 2.08 2.03 0.00 3.77 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 8 P 0.00 3.63 0.00 2.06 1.86 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 9 T 8.16 4.09 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 1.27 0.00 0.00 10 A 7.81 4.74 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.59 4.66 0.00 2.84 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 12 C 8.26 4.56 0.00 3.04 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 13 F 8.62 4.41 0.00 2.89 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 14 S 7.52 4.06 0.00 3.80 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 15 Y 7.56 4.94 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.99 4.16 4.39 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 1.57 0.00 0.00 17 A 8.63 4.24 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 18 R 7.41 4.47 0.00 1.81 1.81 0.00 3.28 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 19 K 8.36 4.01 0.00 1.52 1.61 0.00 1.08 0.00 0.00 1.28 0.00 0.00 2.76 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.21 1.24 7.81 20 L 8.10 4.00 0.00 1.37 1.64 0.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.46 0.00 2.53 2.13 0.00 3.44 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 22 R 9.01 3.85 0.00 1.74 1.84 0.00 2.74 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.16 0.00 23 N 8.04 4.06 0.00 2.27 2.24 0.00 0.00 6.68 7.38 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 24 F 8.51 4.81 0.00 3.13 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 25 V 8.29 4.85 2.22 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 1.37 0.00 0.00 1.04 0.00 0.00 26 V 8.27 4.23 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 0.76 0.00 0.00 1.06 0.00 0.00 27 D 7.64 4.97 0.00 2.87 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 28 Y 7.76 5.17 0.00 3.28 2.98 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 29 Y 9.36 4.53 0.00 2.88 2.84 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 30 E 8.78 4.98 0.00 1.92 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 2.39 2.44 0.00 31 T 8.33 4.14 4.23 0.00 0.00 0.00 0.00 0.00 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 32 S 8.97 4.34 0.00 3.82 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 33 S 8.58 4.62 0.00 3.93 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 34 L 8.17 4.15 0.00 1.65 1.77 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 35 C 7.92 4.93 0.00 3.02 3.10 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 36 S 8.63 4.49 0.00 3.85 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 37 Q 8.04 4.73 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.62 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 38 P 0.00 4.43 0.00 2.22 2.30 0.00 3.87 0.00 0.00 3.88 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 39 A 7.34 4.30 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.55 4.62 2.18 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 1.20 0.00 0.00 1.02 0.00 0.00 41 V 8.90 5.03 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.99 0.00 0.00 42 F 8.31 5.50 0.00 3.35 3.32 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 43 Q 9.67 5.22 0.00 2.33 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 44 T 8.68 5.25 4.57 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 1.55 0.00 0.00 45 A 9.53 4.57 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 4.91 1.30 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 0.00 0.00 0.00 47 S 7.23 4.65 0.00 3.99 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.24 5.04 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 49 Q 7.95 4.80 0.00 1.85 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 50 V 7.79 4.20 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.88 0.00 0.00 51 C 8.88 4.98 0.00 3.19 3.24 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.91 5.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.64 3.70 0.00 1.78 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 0.00 0.00 0.00 0.00 54 P 0.00 4.51 0.00 2.18 2.12 0.00 3.54 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 1.90 1.90 0.00 55 S 8.56 4.14 0.00 3.89 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 56 E 7.59 4.47 0.00 2.05 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 2.27 2.19 0.00 57 S 8.69 3.85 0.00 3.61 3.37 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 58 W 7.82 4.36 0.00 3.25 2.81 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 59 V 7.92 3.54 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 1.14 0.00 0.00 0.95 0.00 0.00 60 Q 7.76 3.97 0.00 1.99 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.69 0.00 0.00 0.00 0.00 0.00 2.50 2.22 0.00 61 E 8.63 3.90 0.00 1.90 2.14 0.00 0.00 0.00 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 2.70 0.00 62 Y 8.47 4.01 0.00 3.25 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 63 V 7.83 3.17 2.33 0.00 0.00 0.00 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 0.89 0.00 0.00 64 Y 8.14 4.01 0.00 3.10 3.05 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 0.00 0.00 0.00 0.00 65 D 8.44 4.51 0.00 2.75 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 66 L 7.60 4.11 0.00 1.45 1.81 0.76 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.78 4.20 0.00 2.10 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 0.00 2.31 2.26 0.00 68 L 7.66 4.11 0.00 1.64 1.61 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 69 N 7.91 4.49 0.00 2.65 2.68 0.00 0.00 6.77 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00