NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3111 8.3044 120.3501 55.3716 33.5147 175.3433 2 N 4.6426 8.2674 123.3597 50.7345 40.4534 173.0557 3 A 4.0463 9.2307 131.9935 55.0716 18.9426 178.5402 4 I 3.7359 7.8187 117.9033 64.6753 37.1747 178.2275 5 D 4.3663 8.6025 119.7966 57.3079 40.6223 178.8248 6 I 3.6787 7.9348 120.1795 64.2798 37.1929 178.2965 7 A 4.0150 8.2249 121.6369 55.2377 18.2115 179.7055 8 I 3.6717 8.0401 118.5219 64.7764 36.9840 178.5375 9 N 4.4789 8.2586 116.2765 55.8721 38.3599 177.1902 10 K 4.0906 7.8660 120.6204 59.5891 32.4225 178.6624 11 L 4.1813 7.6609 117.9317 56.7141 41.6420 177.6526 12 G 4.1466 8.6504 107.0896 46.0544 0.0000 174.1282 13 S 4.5771 7.6145 112.4962 56.0969 66.7059 175.5853 14 V 3.5352 8.2476 121.9196 66.1512 31.1544 177.9495 15 S 4.0198 8.0729 112.1250 61.4629 62.2121 175.9592 16 A 3.9552 8.1007 123.3397 54.9691 18.1837 179.3958 17 L 3.8725 8.0968 118.6802 58.1521 42.2220 178.8881 18 A 3.9005 8.3426 120.9435 55.1676 18.3671 179.3878 19 A 3.9533 8.2283 119.6102 55.4310 18.2863 180.0865 20 S 4.1753 8.1582 111.2322 60.7335 63.1019 175.6047 21 L 4.5866 7.6148 119.9122 53.3302 42.3336 176.3566 22 G 3.8901 7.8988 106.3509 46.9337 0.0000 173.6946 23 V 4.5149 7.5992 111.0002 58.6413 35.3603 176.0065 24 R 4.1924 8.0241 119.3736 55.8217 30.9406 178.0057 25 Q 3.8955 8.6930 120.1787 59.3145 28.5770 179.6413 26 S 4.0232 7.9963 114.3693 61.1894 62.7824 176.4100 27 A 3.6370 7.6185 124.3075 54.9044 18.0601 179.5125 28 I 2.7289 6.9148 117.6557 64.4132 37.0757 178.6380 29 S 4.0509 7.8928 115.8184 61.5316 62.6345 176.2882 30 N 4.2973 8.1848 119.7899 56.5169 38.6325 176.9287 31 W 4.5446 8.1875 120.5429 59.8649 29.2790 178.5205 32 R 3.9368 8.4022 118.5273 59.3760 29.3437 178.3144 33 A 4.0583 8.1189 119.9125 54.8271 18.5280 178.9699 34 R 4.3556 8.0569 111.4792 55.5896 30.1588 176.7679 35 G 3.8740 8.4516 107.1308 46.0664 0.0000 174.0108 36 R 4.3617 8.2165 119.7150 55.0706 32.7812 174.9149 37 V 3.2960 8.0832 119.1261 59.5266 32.8062 174.4753 38 P 4.0830 0.0000 0.0000 62.3996 32.1431 177.5331 39 A 4.0145 8.5957 125.2197 55.3130 18.4166 179.0248 40 E 4.2985 8.0358 110.5884 57.6027 30.1566 177.7928 41 R 4.4661 7.7515 118.5334 56.4276 30.7841 177.6535 42 C 4.0534 7.8968 117.6497 62.9036 28.0959 175.7797 43 I 3.5878 7.7319 120.8202 64.5003 36.5973 178.0075 44 D 4.3574 8.0304 119.1045 57.4437 40.7215 178.8124 45 I 3.7192 7.8789 120.2531 64.3169 37.0378 177.9411 46 E 4.3313 8.2890 121.8130 58.7493 29.3773 179.2565 47 R 3.8792 8.2337 118.1202 59.5301 30.0320 179.5910 48 V 3.7769 7.9217 111.0575 63.9230 31.8089 177.7393 49 T 4.2702 8.0476 108.1473 60.7153 68.7062 174.3038 50 N 4.1080 8.9174 118.6226 54.9877 37.9123 174.8248 51 G 3.8747 8.5355 102.0280 45.2144 0.0000 175.4124 52 A 4.1231 7.8973 123.8863 54.0505 18.6774 178.9303 53 V 4.7114 7.6248 108.1337 59.4436 35.3192 174.7049 54 I 4.7902 8.3451 115.1576 58.6037 40.4879 176.3454 55 C 3.5597 8.6258 119.0105 63.0917 27.4269 176.7733 56 R 3.9777 7.6584 118.1590 59.2269 29.7528 177.8825 57 E 4.1502 7.8405 118.0305 58.9598 29.5293 178.8199 58 L 4.3243 7.6208 117.9846 56.5559 43.3453 177.8517 59 R 4.6951 8.2753 118.4988 53.6081 31.0005 173.8066 60 P 4.4297 0.0000 0.0000 64.9113 31.8856 178.2426 61 D 4.5049 8.0829 117.1385 54.6281 39.9935 176.6415 62 V 3.9194 7.8806 118.7049 63.8028 33.0251 175.5693 63 F 4.7205 7.9321 115.9247 55.7106 40.8016 175.4869 64 G 3.9596 8.5045 111.4076 44.6592 0.0000 173.9127 65 A 4.2890 8.3484 121.2372 52.1292 19.1169 177.3679 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 4.31 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.27 4.64 0.00 2.84 2.67 0.00 0.00 7.08 7.02 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 3 A 9.23 4.05 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 4 I 7.82 3.74 2.08 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.72 1.02 0.00 0.00 5 D 8.60 4.37 0.00 2.87 2.73 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 6 I 7.93 3.68 2.01 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 1.46 0.94 0.91 0.00 0.00 7 A 8.22 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.04 3.67 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.74 0.91 0.00 0.00 9 N 8.26 4.48 0.00 2.88 2.88 0.00 0.00 7.03 8.47 0.00 0.00 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 K 7.87 4.09 0.00 1.83 2.00 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.62 1.53 7.81 11 L 7.66 4.18 0.00 1.70 1.71 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.65 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 13 S 7.61 4.58 0.00 4.00 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 14 V 8.25 3.54 2.04 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 1.00 0.00 0.00 0.90 0.00 0.00 15 S 8.07 4.02 0.00 3.90 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 16 A 8.10 3.96 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 17 L 8.10 3.87 0.00 1.79 1.66 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.34 3.90 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 19 A 8.23 3.95 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 20 S 8.16 4.18 0.00 4.05 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 21 L 7.61 4.59 0.00 1.73 1.89 1.21 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.90 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 23 V 7.60 4.51 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.73 0.00 0.00 24 R 8.02 4.19 0.00 1.75 1.77 0.00 3.27 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 25 Q 8.69 3.90 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 26 S 8.00 4.02 0.00 3.98 4.07 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 27 A 7.62 3.64 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.91 2.73 1.74 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.63 0.84 0.00 0.00 29 S 7.89 4.05 0.00 3.92 3.86 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 0.00 0.00 0.00 30 N 8.18 4.30 0.00 2.83 2.94 0.00 0.00 7.24 7.72 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 31 W 8.19 4.54 0.00 3.55 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.40 3.94 0.00 1.93 2.07 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 33 A 8.12 4.06 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.06 4.36 0.00 2.03 2.11 0.00 3.25 0.00 0.00 3.47 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.69 0.00 35 G 8.45 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 36 R 8.22 4.36 0.00 1.73 1.79 0.00 3.23 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 37 V 8.08 3.30 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.76 0.00 0.00 38 P 0.00 4.08 0.00 1.87 1.89 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 39 A 8.60 4.01 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 40 E 8.04 4.30 0.00 2.09 2.06 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 2.25 2.27 0.00 41 R 7.75 4.47 0.00 1.48 1.89 0.00 3.30 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.84 0.00 42 C 7.90 4.05 0.00 3.15 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.73 3.59 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.70 0.90 0.00 0.00 44 D 8.03 4.36 0.00 2.89 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 45 I 7.88 3.72 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.97 0.93 0.00 0.00 46 E 8.29 4.33 0.00 1.89 2.04 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 2.25 2.34 0.00 47 R 8.23 3.88 0.00 2.04 1.95 0.00 3.18 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 1.63 1.81 0.00 48 V 7.92 3.78 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 0.89 0.00 0.00 1.05 0.00 0.00 49 T 8.05 4.27 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 1.24 0.00 0.00 50 N 8.92 4.11 0.00 2.86 2.89 0.00 0.00 7.15 7.59 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 51 G 8.54 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 52 A 7.90 4.12 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 53 V 7.62 4.71 2.06 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 1.11 0.00 0.00 0.92 0.00 0.00 54 I 8.35 4.79 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 0.86 0.00 0.00 55 C 8.63 3.56 0.00 2.16 1.18 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 56 R 7.66 3.98 0.00 1.81 1.94 0.00 3.35 0.00 0.00 3.44 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 57 E 7.84 4.15 0.00 2.12 1.98 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 2.33 2.32 0.00 58 L 7.62 4.32 0.00 1.71 1.69 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.28 4.70 0.00 2.05 1.97 0.00 3.29 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 60 P 0.00 4.43 0.00 2.20 2.28 0.00 3.79 0.00 0.00 3.74 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 61 D 8.08 4.50 0.00 2.78 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.88 3.92 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 -0.10 0.00 0.00 0.80 0.00 0.00 63 F 7.93 4.72 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 64 G 8.50 3.96 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 0.00 0.00 0.00 65 A 8.35 4.29 1.25 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 0.00 0.00 0.00