NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 P 4.4404 0.0000 0.0000 62.1155 33.5171 175.8667 12 S 4.2339 7.9211 111.1307 59.0027 64.6239 172.6895 13 K 4.3142 8.1247 122.1403 54.3243 33.2683 177.2445 14 L 4.5992 8.2151 125.2687 53.0054 45.0297 175.6586 15 E 4.4800 8.2455 124.5457 56.0569 31.1826 175.2185 16 F 5.3563 8.5514 118.1805 56.2667 44.0515 173.4502 17 A 5.1287 9.2867 121.5400 51.0289 23.3703 175.1685 18 R 5.3056 8.7875 114.9718 54.1328 32.9764 175.1626 19 A 4.4987 9.0159 124.0939 52.5352 18.8560 178.3773 20 L 4.0035 8.8666 123.0922 56.5298 42.5819 176.5744 21 Y 4.9006 7.5650 113.2209 55.7353 42.1897 175.2610 22 D 4.9327 8.9084 120.3588 54.7196 42.1670 175.9651 23 F 5.0639 9.4485 123.7419 56.7201 42.8699 173.2389 24 V 4.2732 7.9398 126.0232 60.2293 32.5467 173.8555 25 P 4.2543 0.0000 0.0000 62.7943 31.8403 175.8546 26 E 4.4899 9.9851 120.6297 56.7011 31.3335 176.3501 27 N 4.8920 7.8653 115.5153 50.0808 39.2001 172.8087 28 P 4.5658 0.0000 0.0000 64.7113 31.9030 177.9335 29 E 4.1962 8.1923 117.1164 58.5213 29.8008 177.3928 30 M 4.7478 8.7976 117.3236 55.0376 34.5574 175.3091 31 E 5.8632 8.0665 115.7056 53.9656 32.1675 175.2775 32 V 4.6704 8.3274 113.9468 59.4929 34.5874 175.3921 33 A 4.5832 8.5018 123.7980 51.9850 19.7106 176.8926 34 L 5.0535 8.9210 118.0405 53.0762 46.5954 175.8316 35 K 5.1147 10.7800 121.4090 53.8774 35.0441 175.7569 36 K 3.9563 8.9361 125.3559 58.0455 32.5396 177.1785 37 G 3.9384 9.1501 111.9412 45.7543 0.0000 173.8084 38 D 4.5365 8.2878 120.7480 54.6069 41.7633 175.1114 39 L 5.2644 8.4563 123.8101 53.9360 44.5211 174.8142 40 M 5.3049 9.0115 121.2035 54.2129 35.1750 173.1880 41 A 4.4041 9.2646 122.9586 50.8344 21.0752 176.3270 42 I 4.2023 7.8367 123.3958 60.8010 37.3944 175.9850 43 L 4.2414 8.6460 127.8332 57.0222 42.6935 177.0292 44 S 4.3920 7.4890 110.1524 56.9472 66.1066 174.9614 45 K 4.1802 8.2708 122.1629 55.9164 33.3835 175.7700 46 K 5.0097 8.3947 119.3480 54.3498 35.0033 175.8395 47 D 4.6905 8.8379 121.6890 51.7831 40.4924 175.5249 48 P 4.2775 0.0000 0.0000 65.4608 31.4105 177.4272 49 L 4.3575 9.4421 118.2690 54.2288 41.4566 178.4420 50 G 3.9388 8.4860 107.3569 45.6627 0.0000 174.7895 51 R 4.2170 7.4431 118.8149 55.3749 30.8671 175.9781 52 D 4.8145 8.4902 120.9713 54.9701 41.4471 176.0012 53 S 4.8183 8.4227 115.6049 57.0615 66.4717 173.3520 54 D 4.6492 8.9337 119.6362 54.0946 42.0147 175.3195 55 W 4.8822 8.3553 119.1860 54.7480 31.1935 175.1224 56 W 5.4461 9.1205 125.1354 54.9137 31.6834 175.1009 57 K 3.9539 8.4857 125.1488 55.9493 33.0790 176.1787 58 V 5.0871 8.7993 119.6344 59.9803 37.2321 173.6525 59 R 5.1302 9.3716 122.0249 54.9753 32.7845 175.0460 60 T 4.7901 8.4663 116.1050 59.6502 71.4527 175.5334 61 K 4.0285 8.0997 120.9490 59.8776 32.0281 178.4007 62 N 4.4686 8.0669 113.4715 54.1925 38.6940 175.9566 63 G 3.9940 8.5142 107.6128 44.8036 0.0000 173.6325 64 N 4.4640 7.6921 118.1749 53.6199 39.5497 173.9664 65 I 5.1595 7.6084 124.6971 59.2583 39.2114 175.0879 66 G 4.1535 8.1662 112.8146 46.0213 0.0000 171.1303 67 Y 5.4635 9.4552 118.3974 57.5131 39.5922 175.3760 68 I 4.7687 9.1473 115.2604 58.4378 42.1108 172.6645 69 P 2.9700 0.0000 0.0000 61.6667 31.4785 177.2288 70 Y 3.1079 8.0886 122.9987 59.5829 37.6480 177.7479 71 N 3.8197 6.8808 114.3760 53.4809 37.7081 174.7021 72 Y 4.4499 7.7154 117.2146 58.2276 38.2841 174.3499 73 I 5.1263 7.1862 113.1161 59.2335 41.7435 174.1382 74 E 4.6858 8.8665 122.3110 54.2138 32.5001 174.7408 75 I 4.3044 8.6617 127.9176 61.6677 38.1710 176.3181 76 I 4.1649 9.4524 128.7020 60.2219 36.7094 176.0581 77 K 4.0542 8.3317 126.8782 56.8100 32.6630 176.1496 78 R 4.5287 8.1331 118.9212 55.0153 30.6019 174.9678 79 R 4.2000 8.1652 119.1468 56.9793 31.0251 174.9863 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 11 P 0.00 4.44 0.00 2.04 2.14 0.00 3.55 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 12 S 7.92 4.23 0.00 3.99 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 13 K 8.12 4.31 0.00 1.74 1.79 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.41 7.81 14 L 8.22 4.60 0.00 1.41 1.44 0.62 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.25 4.48 0.00 1.82 1.80 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 2.34 2.24 0.00 16 F 8.55 5.36 0.00 3.03 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 17 A 9.29 5.13 1.35 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 0.00 0.00 0.00 18 R 8.79 5.31 0.00 1.93 2.02 0.00 2.75 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 19 A 9.02 4.50 1.44 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 0.00 0.00 20 L 8.87 4.00 0.00 1.06 0.69 0.83 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.57 4.90 0.00 2.73 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 22 D 8.91 4.93 0.00 2.69 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 23 F 9.45 5.06 0.00 3.05 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 24 V 7.94 4.27 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 0.74 0.00 0.00 0.87 0.00 0.00 25 P 0.00 4.25 0.00 2.02 2.13 0.00 3.49 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 1.97 2.17 0.00 26 E 9.99 4.49 0.00 1.85 1.97 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 2.27 2.26 0.00 27 N 7.87 4.89 0.00 2.63 2.65 0.00 0.00 7.17 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 28 P 0.00 4.57 0.00 2.04 2.12 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 29 E 8.19 4.20 0.00 1.96 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 0.00 2.32 2.33 0.00 30 M 8.80 4.75 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 31 E 8.07 5.86 0.00 2.21 2.55 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 0.00 2.29 2.61 0.00 32 V 8.33 4.67 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 0.78 0.00 0.00 1.08 0.00 0.00 33 A 8.50 4.58 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 34 L 8.92 5.05 0.00 1.82 1.65 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 35 K 10.78 5.11 0.00 2.11 1.70 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.52 7.81 36 K 8.94 3.96 0.00 1.71 1.75 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.49 7.81 37 G 9.15 3.94 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 0.00 0.00 0.00 38 D 8.29 4.54 0.00 2.77 2.66 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 39 L 8.46 5.26 0.00 1.77 1.53 1.00 0.74 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 40 M 9.01 5.30 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.76 0.00 41 A 9.26 4.40 1.02 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 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.84 4.20 1.71 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.62 0.69 0.00 0.00 43 L 8.65 4.24 0.00 1.48 1.62 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.49 4.39 0.00 3.80 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 45 K 8.27 4.18 0.00 1.37 1.22 0.00 1.14 0.00 0.00 0.92 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.30 0.65 7.81 46 K 8.39 5.01 0.00 1.75 1.77 0.00 1.89 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.48 7.81 47 D 8.84 4.69 0.00 2.70 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 48 P 0.00 4.28 0.00 2.03 2.22 0.00 3.47 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.16 0.00 49 L 9.44 4.36 0.00 1.78 1.66 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.49 3.94 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 0.00 0.00 0.00 51 R 7.44 4.22 0.00 2.32 1.86 0.00 3.13 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 52 D 8.49 4.81 0.00 2.69 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 53 S 8.42 4.82 0.00 4.03 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 54 D 8.93 4.65 0.00 2.74 2.80 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 55 W 8.36 4.88 0.00 3.14 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 56 W 9.12 5.45 0.00 3.33 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 57 K 8.49 3.95 0.00 0.79 1.36 0.00 1.50 0.00 0.00 1.52 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.16 0.88 7.81 58 V 8.80 5.09 2.31 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 0.91 0.00 0.00 1.03 0.00 0.00 59 R 9.37 5.13 0.00 1.79 1.74 0.00 3.07 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 60 T 8.47 4.79 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 1.31 0.00 0.00 61 K 8.10 4.03 0.00 1.63 1.96 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.52 1.67 7.81 62 N 8.07 4.47 0.00 2.86 2.89 0.00 0.00 7.10 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 63 G 8.51 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 64 N 7.69 4.46 0.00 2.86 2.81 0.00 0.00 6.71 7.36 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 65 I 7.61 5.16 1.88 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 1.41 1.66 0.88 0.00 0.00 66 G 8.17 4.15 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 0.00 67 Y 9.46 5.46 0.00 3.30 3.31 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 0.00 68 I 9.15 4.77 1.56 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.36 1.08 0.00 0.00 69 P 0.00 2.97 0.00 1.22 0.85 0.00 2.39 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 70 Y 8.09 3.11 0.00 1.43 2.15 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 71 N 6.88 3.82 0.00 2.42 2.04 0.00 0.00 5.98 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 72 Y 7.72 4.45 0.00 2.86 2.93 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 73 I 7.19 5.13 2.01 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 0.91 0.00 0.00 74 E 8.87 4.69 0.00 2.00 1.77 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 2.21 2.28 0.00 75 I 8.66 4.30 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.89 0.97 0.00 0.00 76 I 9.45 4.16 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.83 0.94 0.00 0.00 77 K 8.33 4.05 0.00 1.76 1.76 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.46 7.81 78 R 8.13 4.53 0.00 1.83 2.13 0.00 3.33 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 79 R 8.17 4.20 0.00 1.79 1.75 0.00 3.49 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00