NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3428 8.3044 120.3282 53.3223 33.6379 175.5301 2 E 4.1953 9.5018 129.5428 57.3700 30.6209 174.1994 3 K 4.0247 8.0009 118.2048 59.2743 33.0161 179.0538 4 V 3.5658 7.6898 117.9890 66.3108 31.8390 177.8787 5 Q 4.1850 8.2078 117.2511 59.2294 28.4483 178.4628 6 Y 3.8971 8.0913 120.4763 60.3303 38.9765 177.6889 7 L 4.0166 7.9427 119.8263 58.1684 41.8740 179.2907 8 T 3.8376 8.3534 113.4261 65.2568 67.3577 176.0851 9 R 3.8805 7.9187 120.3026 59.4362 30.1718 178.6812 10 S 4.0380 7.9427 114.9307 61.2188 62.7552 176.5528 11 A 3.9285 7.8935 123.1859 55.3877 18.0823 179.6360 12 I 3.8245 7.5179 116.8918 64.5703 37.1696 178.3690 13 R 4.0448 7.7141 118.9101 58.9158 30.1088 178.0039 14 R 4.2385 7.7232 112.9608 57.1668 29.7603 177.2528 15 A 4.5870 8.2063 121.7037 51.8221 19.1505 178.2951 16 S 4.2397 8.0206 113.5042 60.7155 63.3023 174.7371 17 T 4.6246 7.6101 111.1624 61.4242 69.1997 174.1747 18 I 4.7750 7.2799 120.1106 61.1471 41.4285 175.8349 19 E 4.7234 8.3029 120.5042 54.7330 30.4349 174.5365 20 M 4.8924 7.5327 120.1497 53.0774 36.5842 173.5040 21 P 4.2752 0.0000 0.0000 63.3006 31.2962 176.1319 22 Q 3.7541 7.6349 119.6286 57.8373 28.2209 175.7440 23 Q 4.0697 7.9813 115.3239 59.4922 28.9464 179.6476 24 A 3.9524 7.9380 120.8753 55.0391 18.5487 179.2595 25 R 3.7764 7.9240 117.1353 59.7984 30.0715 178.6506 26 Q 3.9426 7.9679 116.9213 59.1056 28.8136 178.7173 27 K 3.9753 8.3102 119.5898 59.4375 32.0112 179.3976 28 L 4.0127 8.4682 119.4526 57.9249 41.7097 179.2260 29 Q 4.0267 7.9335 117.7097 59.4554 28.8492 179.0961 30 N 4.3909 8.0216 116.7165 56.3909 38.6553 177.4024 31 L 4.0559 8.4004 120.5814 57.8677 41.6622 179.5820 32 F 4.0915 8.9240 120.7325 61.3985 39.4178 176.8180 33 I 3.8997 7.8545 118.9711 64.7294 37.1212 177.5934 34 N 4.2294 8.0805 117.0170 56.9190 38.7339 176.5580 35 F 4.1371 8.6033 122.5064 61.1768 39.3929 176.7222 36 C 3.6372 8.4410 114.7878 61.1347 29.2860 175.8399 37 L 3.8455 7.6402 121.7257 57.5072 41.3389 179.5193 38 I 3.5755 7.3407 119.0334 64.1941 36.9821 178.2311 39 L 3.5923 7.5533 121.3092 58.2337 41.9271 179.1356 40 I 3.6800 7.9753 119.9668 65.0048 36.9596 177.3340 41 C 4.0738 7.9888 117.8358 62.5874 27.8561 175.6931 42 L 3.9766 8.1836 120.6067 58.1335 41.4112 179.8673 43 L 3.9204 7.8808 118.8771 57.8159 41.6254 179.2021 44 L 3.9793 7.9984 118.6795 58.0844 41.5380 179.8987 45 I 3.6729 7.6894 119.3819 64.4975 37.1730 178.1060 46 C 4.0648 7.9650 117.4492 62.9430 28.1045 176.0656 47 I 3.6917 7.6641 121.1857 64.6179 36.7242 178.4095 48 I 3.6670 7.6688 120.2774 64.5547 36.7590 178.5157 49 V 3.6145 7.7137 117.6240 66.4631 31.2297 177.6713 50 M 4.2270 7.6451 117.2093 58.1771 31.9220 178.3367 51 L 4.1271 7.5885 118.1155 57.4857 41.8457 177.7571 52 L 4.2755 7.7105 122.5573 55.1994 41.7857 176.8936 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 M 8.30 4.34 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 2 E 9.50 4.20 0.00 2.25 2.09 0.00 0.00 0.00 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 2.36 0.00 3 K 8.00 4.02 0.00 1.89 1.85 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.51 7.81 4 V 7.69 3.57 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 0.99 0.00 0.00 0.95 0.00 0.00 5 Q 8.21 4.18 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.71 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 6 Y 8.09 3.90 0.00 3.28 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 7 L 7.94 4.02 0.00 1.96 1.73 0.98 0.64 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 8 T 8.35 3.84 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 1.28 0.00 0.00 9 R 7.92 3.88 0.00 2.04 1.75 0.00 3.04 0.00 0.00 2.93 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 10 S 7.94 4.04 0.00 4.15 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 11 A 7.89 3.93 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 12 I 7.52 3.82 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 0.89 0.00 0.00 13 R 7.71 4.04 0.00 2.02 1.90 0.00 3.17 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 14 R 7.72 4.24 0.00 2.03 2.02 0.00 3.10 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 15 A 8.21 4.59 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 16 S 8.02 4.24 0.00 3.98 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.61 4.62 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 18 I 7.28 4.78 1.86 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 1.28 0.74 0.90 0.00 0.00 19 E 8.30 4.72 0.00 1.87 1.81 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 2.19 2.25 0.00 20 M 7.53 4.89 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 21 P 0.00 4.28 0.00 2.17 2.13 0.00 3.89 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 1.98 1.97 0.00 22 Q 7.63 3.75 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 23 Q 7.98 4.07 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 24 A 7.94 3.95 1.31 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 0.00 0.00 25 R 7.92 3.78 0.00 1.90 2.01 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 26 Q 7.97 3.94 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 27 K 8.31 3.98 0.00 1.91 1.88 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 28 L 8.47 4.01 0.00 1.90 1.71 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.93 4.03 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 30 N 8.02 4.39 0.00 2.74 2.89 0.00 0.00 7.42 8.08 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 31 L 8.40 4.06 0.00 1.83 1.77 0.96 1.01 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 32 F 8.92 4.09 0.00 3.15 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 33 I 7.85 3.90 2.11 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 1.54 0.80 0.96 0.00 0.00 34 N 8.08 4.23 0.00 2.83 3.01 0.00 0.00 6.97 7.26 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 35 F 8.60 4.14 0.00 3.08 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 C 8.44 3.64 0.00 2.82 3.03 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 37 L 7.64 3.85 0.00 1.66 1.71 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.34 3.58 1.79 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 1.35 0.99 0.72 0.00 0.00 39 L 7.55 3.59 0.00 0.92 1.43 0.71 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.98 3.68 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.73 0.87 0.00 0.00 41 C 7.99 4.07 0.00 3.04 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 42 L 8.18 3.98 0.00 1.68 1.70 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.88 3.92 0.00 1.81 1.67 0.87 0.55 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 44 L 8.00 3.98 0.00 1.80 1.72 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.69 3.67 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 0.90 0.00 0.00 46 C 7.96 4.06 0.00 3.17 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 47 I 7.66 3.69 2.01 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 1.51 1.35 0.90 0.00 0.00 48 I 7.67 3.67 2.02 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 0.78 0.90 0.00 0.00 49 V 7.71 3.61 2.23 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 0.78 0.00 0.00 0.95 0.00 0.00 50 M 7.65 4.23 0.00 2.06 2.26 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 2.63 2.80 0.00 51 L 7.59 4.13 0.00 1.82 1.73 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.71 4.28 0.00 1.80 1.60 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00