NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4099 0.0000 0.0000 61.8405 32.6471 176.0830 2 K 3.9162 8.5447 119.7407 56.0619 32.4734 175.7124 3 I 3.8356 9.3384 125.8432 61.5745 38.4948 175.4881 4 K 4.3499 8.5827 125.0763 55.8439 32.9322 176.4770 5 T 4.3846 8.2878 113.7802 60.6712 70.1252 176.5926 6 V 3.8903 8.6271 125.1828 62.3350 29.2448 176.6953 7 R 3.9871 8.2798 123.7777 58.9380 29.8150 177.7346 8 G 3.7846 8.3131 104.5599 48.1383 0.0000 175.2974 9 A 4.3026 8.5243 123.1550 54.5954 18.2285 178.9401 10 A 4.2301 7.6752 116.7878 53.2821 18.1681 177.7918 11 K 4.6191 7.7182 113.7758 56.4330 32.8642 176.9504 12 R 4.3775 8.0806 115.4226 55.1694 32.4231 174.5183 13 F 5.0751 7.5347 114.8596 55.7814 43.5317 174.8083 14 K 4.3664 8.8698 119.0238 55.6446 34.9721 174.2182 15 K 3.8355 9.3274 129.2584 57.6288 32.6553 176.5747 16 T 4.5893 8.4390 119.0700 60.5523 70.2068 175.5650 17 G 3.9986 7.7762 107.6911 48.6495 0.0000 173.3624 18 K 4.1928 7.3650 119.5751 55.3304 33.9755 176.8709 19 G 3.6530 9.0447 104.7451 48.6520 0.0000 173.5118 20 G 3.9015 7.7792 107.8818 45.7976 0.0000 173.3199 21 F 4.6372 8.2165 113.4359 56.5184 41.7962 171.6721 22 K 4.3084 8.5722 128.9703 56.1401 33.0541 173.6044 23 H 5.1397 9.3638 125.7434 54.2757 30.1947 171.9446 24 K 4.5458 8.3771 119.6484 54.7988 34.1075 176.5834 25 H 4.3009 8.7367 123.1507 55.9455 29.2338 175.0521 26 A 4.4354 8.3563 125.9296 52.0646 20.2057 176.0119 27 N 4.3448 8.9665 113.0273 54.5566 35.6305 175.1856 28 L 4.7766 7.4830 114.5933 52.8629 42.1287 175.2916 29 R 4.4638 7.2978 113.0705 56.6488 32.9523 174.0985 30 H 4.7796 8.0208 117.4413 55.4775 33.1102 173.9244 31 I 3.2221 7.4500 116.8306 62.5327 35.1404 173.1623 32 L 4.5694 7.5994 127.9287 54.7649 43.6385 178.8796 33 T 3.8301 8.0414 112.9711 64.6003 67.3543 174.5236 34 K 4.4011 7.9753 117.5386 56.5034 32.9608 175.9409 35 K 4.4870 7.4352 118.6390 54.6323 33.9428 176.7027 36 A 4.1045 8.3840 125.1882 52.1696 19.5738 178.8276 37 T 3.7712 8.6313 115.7745 64.8995 68.4722 176.5307 38 K 3.8489 7.9058 121.0942 59.0917 32.6375 178.4238 39 R 3.9614 7.6871 118.5026 59.5219 30.2445 178.5458 40 K 4.0040 8.2556 118.3838 59.3854 31.7760 179.3617 41 R 3.9769 8.3668 118.7265 59.2418 29.9615 177.0312 42 H 4.8947 7.6745 113.8277 55.8669 29.4524 175.8865 43 L 4.6716 7.8259 120.6094 54.5326 43.9232 178.4647 44 R 4.0204 8.2508 117.3443 58.4489 30.0976 175.0993 45 P 4.4974 0.0000 0.0000 62.6562 32.0725 174.7111 46 K 4.7345 8.1628 117.1922 55.2131 34.5776 175.8169 47 A 4.6793 7.9447 121.3029 50.7720 22.7056 176.2006 48 M 4.4480 8.6026 120.2953 55.0644 33.2982 176.8635 49 V 3.8977 8.5298 114.9670 61.3471 32.3704 177.6227 50 S 4.1805 8.9563 118.4546 59.1117 63.0752 176.7531 51 K 3.9234 9.0518 124.8163 57.9298 31.6339 177.5959 52 G 3.7278 8.7806 107.3383 47.5841 0.0000 173.9536 53 D 4.7936 7.5160 117.5469 53.7137 42.2821 177.7081 54 L 4.0307 7.9651 121.8283 58.2168 41.6356 178.6808 55 G 3.7227 8.0748 104.1299 47.8573 0.0000 175.1290 56 L 4.0438 7.4476 120.0666 57.5183 41.5986 179.1129 57 V 3.1566 7.5469 117.5572 65.6783 32.1716 176.3897 58 I 4.3366 7.4065 118.8974 59.1237 33.6999 173.9012 59 A 4.5748 7.0384 123.4135 53.3525 26.2919 177.7334 60 C 4.3258 7.6444 111.4105 60.8984 29.3506 173.4554 61 L 4.8847 7.2680 118.9170 52.4852 41.3702 175.5171 62 P 4.1311 0.0000 0.0000 65.1416 31.9364 177.5751 63 Y 4.5370 7.8706 113.1465 57.3560 38.4275 175.3969 64 A 4.3127 8.2102 129.5926 52.8953 18.4410 178.2272 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 P 0.00 4.41 0.00 2.21 2.13 0.00 3.76 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 2.01 0.00 2 K 8.54 3.92 0.00 1.87 1.89 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.54 7.81 3 I 9.34 3.84 2.00 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 1.44 0.51 0.95 0.00 0.00 4 K 8.58 4.35 0.00 1.77 1.76 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.38 7.81 5 T 8.29 4.38 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 1.43 0.00 0.00 6 V 8.63 3.89 2.19 0.00 0.00 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 0.93 0.00 0.00 7 R 8.28 3.99 0.00 1.94 2.00 0.00 3.35 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 8 G 8.31 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 0.00 0.00 0.00 9 A 8.52 4.30 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 10 A 7.68 4.23 1.36 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 0.00 0.00 11 K 7.72 4.62 0.00 1.87 1.77 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.59 7.81 12 R 8.08 4.38 0.00 0.90 1.24 0.00 2.96 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.61 0.00 13 F 7.53 5.08 0.00 2.76 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 14 K 8.87 4.37 0.00 1.85 1.75 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.55 7.81 15 K 9.33 3.84 0.00 1.90 1.73 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 0.88 7.81 16 T 8.44 4.59 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 1.29 0.00 0.00 17 G 7.78 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 18 K 7.36 4.19 0.00 1.80 1.60 0.00 1.48 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.36 7.81 19 G 9.04 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 0.00 0.00 0.00 20 G 7.78 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 0.00 0.00 0.00 21 F 8.22 4.64 0.00 3.25 3.18 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 0.00 0.00 0.00 0.00 22 K 8.57 4.31 0.00 1.93 1.88 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.52 7.81 23 H 9.36 5.14 0.00 3.06 3.35 0.00 5.46 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.38 4.55 0.00 1.63 1.66 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.33 7.81 25 H 8.74 4.30 0.00 3.43 3.22 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.36 4.44 1.26 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 0.00 0.00 27 N 8.97 4.34 0.00 2.92 3.00 0.00 0.00 6.55 7.85 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 28 L 7.48 4.78 0.00 1.53 1.54 0.93 0.98 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 29 R 7.30 4.46 0.00 1.86 1.93 0.00 3.00 0.00 0.00 3.10 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 30 H 8.02 4.78 0.00 3.05 3.13 0.00 5.75 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.45 3.22 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.73 0.89 0.00 0.00 32 L 7.60 4.57 0.00 1.73 1.67 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.04 3.83 4.24 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 1.21 0.00 0.00 34 K 7.98 4.40 0.00 1.89 1.88 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.45 7.81 35 K 7.44 4.49 0.00 2.00 1.75 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.36 7.81 36 A 8.38 4.10 1.26 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 0.00 0.00 37 T 8.63 3.77 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 1.20 0.00 0.00 38 K 7.91 3.85 0.00 1.71 1.83 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.34 7.81 39 R 7.69 3.96 0.00 1.89 2.14 0.00 3.23 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 40 K 8.26 4.00 0.00 1.83 1.85 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.65 7.81 41 R 8.37 3.98 0.00 1.95 2.08 0.00 3.27 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 42 H 7.67 4.89 0.00 3.36 3.24 0.00 5.67 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.83 4.67 0.00 1.79 1.65 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.25 4.02 0.00 1.81 2.00 0.00 3.22 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 45 P 0.00 4.50 0.00 2.19 2.11 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 46 K 8.16 4.73 0.00 1.63 1.91 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.36 7.81 47 A 7.94 4.68 1.07 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 48 M 8.60 4.45 0.00 1.96 2.04 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 2.61 2.53 0.00 49 V 8.53 3.90 2.17 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 1.04 0.00 0.00 1.16 0.00 0.00 50 S 8.96 4.18 0.00 4.03 4.18 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 0.00 0.00 0.00 0.00 51 K 9.05 3.92 0.00 1.90 2.03 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.43 7.81 52 G 8.78 3.73 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 0.00 0.00 0.00 53 D 7.52 4.79 0.00 2.81 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 54 L 7.97 4.03 0.00 1.80 1.82 1.18 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.07 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 56 L 7.45 4.04 0.00 1.76 1.63 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.55 3.16 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.68 0.00 0.00 0.50 0.00 0.00 58 I 7.41 4.34 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.06 0.98 0.00 0.00 59 A 7.04 4.57 1.27 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 0.00 0.00 60 C 7.64 4.33 0.00 2.95 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 61 L 7.27 4.88 0.00 1.60 1.59 0.69 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.13 0.00 1.93 1.96 0.00 3.71 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 2.05 2.26 0.00 63 Y 7.87 4.54 0.00 2.97 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 64 A 8.21 4.31 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00