NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.3879 8.1693 120.6668 54.7083 42.9686 176.0959 6 T 4.2210 8.0636 110.7249 60.7464 69.7729 172.6012 7 E 4.1722 9.7012 123.7328 58.6493 30.8076 177.7222 8 T 5.1331 7.4485 115.0897 61.9359 71.9958 173.5190 9 M 4.9479 9.2098 125.2131 53.0994 36.1911 173.0878 10 P 5.2001 0.0000 0.0000 62.1589 33.3855 174.8924 11 F 5.2671 8.5886 115.3996 55.4333 41.6730 173.3865 12 R 5.2446 8.7068 115.2044 54.8666 32.7847 174.0067 13 M 5.0902 9.1874 119.7017 54.1452 36.1262 173.8346 14 T 5.2144 8.5914 114.1475 60.1709 72.0090 172.7292 15 M 4.9056 9.2490 123.6110 53.9809 35.9411 173.5317 16 E 4.9433 8.6758 124.0892 54.7674 33.4269 174.9729 17 G 3.7698 7.7669 108.8444 45.6449 0.0000 171.9411 18 T 5.3083 8.2523 115.9302 61.6199 72.2038 173.9985 19 V 4.1533 8.9055 125.8470 61.9228 33.5099 175.0169 20 N 4.2906 10.0409 125.2240 54.2066 36.0647 175.4500 21 G 3.8869 8.5818 106.6915 45.3218 0.0000 173.5586 22 H 4.5874 8.1490 120.6488 55.3552 30.1364 173.5267 23 H 5.3552 8.3672 124.3602 55.3761 30.5528 174.2414 24 F 5.1605 8.5841 115.8093 56.0020 41.9096 173.0538 25 K 5.2301 9.3163 118.0685 55.0907 36.4224 175.3968 26 C 5.6543 9.5278 120.9113 58.2672 32.5928 173.1164 27 T 5.1966 8.9023 111.1235 60.2438 72.0777 172.9315 28 G 4.5986 8.9178 108.1233 45.0155 0.0000 171.7178 29 K 4.9229 8.9597 122.5405 54.7788 36.1858 175.4535 30 G 3.7579 8.3482 113.5502 45.4102 0.0000 170.7657 31 E 5.1180 8.6992 116.1812 55.6052 33.4349 174.4205 32 G 4.5247 8.9992 107.0298 46.1401 0.0000 171.7076 33 N 5.4528 8.9640 117.9237 50.2704 38.8363 174.7144 34 P 4.0810 0.0000 0.0000 65.3259 31.5703 178.3283 35 F 4.5358 7.7815 114.6088 59.1316 39.2550 176.1458 36 E 4.3233 8.2937 118.1723 55.7730 29.9681 176.0509 37 G 3.9190 8.1176 107.0370 46.9232 0.0000 173.5062 38 T 4.9233 7.6044 108.1777 59.7384 72.1750 172.5825 39 Q 5.1987 8.3755 119.3779 55.6540 31.5771 173.0378 40 D 5.1704 9.2733 119.9932 53.1929 45.4397 174.3727 41 M 5.1426 8.5744 117.2496 54.2318 34.6698 173.7252 42 K 4.6747 9.0257 119.4742 54.8417 34.9610 175.5108 43 I 5.0777 8.2045 123.6570 59.4467 40.4222 174.3117 44 E 4.5833 9.1437 127.6907 54.1820 32.5212 174.8856 45 V 4.4649 8.5091 127.3860 62.7319 31.2850 175.2177 46 I 4.3443 8.6671 122.4284 61.8278 39.0155 175.9013 47 E 4.5783 7.9559 121.6216 55.5546 33.9305 176.1946 48 G 4.0576 8.6407 110.2845 46.7925 0.0000 173.5039 49 G 4.0447 7.7082 107.7734 42.6866 0.0000 172.3402 50 P 4.2716 0.0000 0.0000 61.8896 31.8688 176.3896 51 L 3.5639 8.3254 121.2198 55.0480 41.6431 175.0102 52 P 4.6504 0.0000 0.0000 62.2022 31.6497 175.3075 53 F 4.7595 6.8473 111.2944 56.0228 40.3672 173.3274 54 A 4.0775 8.6920 124.6401 52.2698 18.6901 178.6091 55 F 4.0756 8.9993 125.1751 61.3325 39.5213 176.6966 56 D 4.7216 8.6765 119.8309 56.5565 40.3256 178.4929 57 I 3.8418 7.4386 112.2322 62.8056 37.9362 177.1528 58 L 4.3292 7.7752 120.1731 54.7363 42.0770 178.3937 59 S 4.0511 7.3981 116.2509 61.8836 62.8515 176.2057 60 T 4.2717 7.7965 106.1891 62.6296 68.6386 174.7114 61 S 4.6394 7.6746 117.1804 58.7067 64.4074 173.9394 62 C 4.4219 7.7415 123.3633 60.0438 27.7641 173.3345 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 5 L 8.17 4.39 0.00 1.46 1.58 0.69 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.06 4.22 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 1.26 0.00 0.00 7 E 9.70 4.17 0.00 2.14 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 0.00 2.64 2.44 0.00 8 T 7.45 5.13 4.27 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 1.27 0.00 0.00 9 M 9.21 4.95 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.83 0.00 10 P 0.00 5.20 0.00 2.02 1.99 0.00 3.75 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 1.96 1.95 0.00 11 F 8.59 5.27 0.00 3.07 3.11 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 0.00 0.00 0.00 0.00 12 R 8.71 5.24 0.00 1.80 1.90 0.00 3.00 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 13 M 9.19 5.09 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 14 T 8.59 5.21 4.27 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 1.24 0.00 0.00 15 M 9.25 4.91 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 16 E 8.68 4.94 0.00 1.74 1.65 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 2.14 2.24 0.00 17 G 7.77 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.25 5.31 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 1.15 0.00 0.00 19 V 8.91 4.15 1.39 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 0.40 0.00 0.00 0.73 0.00 0.00 20 N 10.04 4.29 0.00 2.82 2.86 0.00 0.00 7.38 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 21 G 8.58 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 0.00 0.00 0.00 22 H 8.15 4.59 0.00 3.37 3.57 0.00 5.77 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.37 5.36 0.00 3.11 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.58 5.16 0.00 3.36 3.28 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 25 K 9.32 5.23 0.00 1.73 1.71 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.29 1.37 7.81 26 C 9.53 5.65 0.00 3.01 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 27 T 8.90 5.20 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 1.25 0.00 0.00 28 G 8.92 4.60 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 0.00 0.00 0.00 29 K 8.96 4.92 0.00 1.76 1.51 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 1.31 7.81 30 G 8.35 3.76 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 0.00 0.00 0.00 31 E 8.70 5.12 0.00 2.07 1.88 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 2.10 2.23 0.00 32 G 9.00 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.96 5.45 0.00 2.65 2.83 0.00 0.00 6.95 7.58 0.00 0.00 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 P 0.00 4.08 0.00 1.17 1.76 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 35 F 7.78 4.54 0.00 3.07 3.08 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 36 E 8.29 4.32 0.00 2.00 2.03 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 2.32 2.39 0.00 37 G 8.12 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 0.00 0.00 0.00 38 T 7.60 4.92 4.27 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 1.23 0.00 0.00 39 Q 8.38 5.20 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 40 D 9.27 5.17 0.00 2.64 2.54 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 41 M 8.57 5.14 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.73 0.00 42 K 9.03 4.67 0.00 1.65 1.69 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.35 7.81 43 I 8.20 5.08 1.75 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.61 1.13 0.00 0.00 44 E 9.14 4.58 0.00 1.97 1.76 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 2.18 2.19 0.00 45 V 8.51 4.46 2.07 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 0.97 0.00 0.00 0.91 0.00 0.00 46 I 8.67 4.34 1.90 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 1.38 0.82 0.94 0.00 0.00 47 E 7.96 4.58 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 48 G 8.64 4.06 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 0.00 0.00 0.00 49 G 7.71 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.27 0.00 2.12 2.02 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 51 L 8.33 3.56 0.00 1.34 1.16 0.56 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.65 0.00 2.16 2.02 0.00 3.21 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.37 0.00 53 F 6.85 4.76 0.00 3.04 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 54 A 8.69 4.08 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 55 F 9.00 4.08 0.00 3.06 3.07 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 56 D 8.68 4.72 0.00 2.75 2.74 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 57 I 7.44 3.84 1.79 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.46 0.89 0.00 0.00 58 L 7.78 4.33 0.00 0.76 1.45 0.73 0.95 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 59 S 7.40 4.05 0.00 4.01 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 60 T 7.80 4.27 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 1.19 0.00 0.00 61 S 7.67 4.64 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 62 C 7.74 4.42 0.00 3.10 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