NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3241 8.4449 120.2275 56.1617 31.8095 175.7543 4 K 4.2258 7.6439 118.1246 55.6130 33.0272 174.7925 5 R 4.5051 9.2194 122.2695 56.0704 32.3107 175.3762 6 R 5.4263 8.4440 118.9239 54.3620 34.9956 175.0856 7 D 4.8343 8.4358 120.0496 52.6685 41.6041 176.6629 8 N 4.6245 9.8859 116.9256 55.1145 38.3378 175.8620 9 R 4.3672 8.0460 117.6753 57.6877 31.8096 176.7391 10 G 4.0372 8.5999 103.3177 45.2957 0.0000 173.6577 11 R 4.1068 9.0990 120.8077 55.5561 30.7379 176.0173 12 I 4.3793 8.3879 123.6056 59.8531 36.8820 175.4323 13 L 4.3243 8.2978 127.4489 55.0918 41.8329 176.9001 14 K 4.4569 9.4570 121.4256 55.0747 34.7240 176.1749 15 T 3.8112 8.4481 117.1053 65.8046 68.9071 173.7882 16 G 4.4883 9.0827 116.8347 45.9609 0.0000 174.3289 17 E 4.5909 7.5148 117.6435 56.9087 30.2540 176.6456 18 S 4.7034 9.0848 115.5893 57.4290 66.4852 172.5454 19 Q 4.9041 8.6745 125.4691 54.5309 31.3256 175.3264 20 R 4.4774 7.9841 124.6829 54.4925 31.9434 177.7019 21 K 4.1108 8.3342 117.7282 59.3174 32.1197 178.5274 22 D 4.5310 7.9007 117.2994 55.1503 41.2079 176.2665 23 G 4.0778 7.7030 106.6705 45.2242 0.0000 174.6842 24 R 3.1170 6.6422 115.8443 56.2505 30.2841 176.6305 25 Y 4.8043 8.4884 120.4298 57.8287 40.2455 173.9845 26 L 4.6255 8.6098 121.2035 54.2963 46.0363 173.6277 27 Y 5.3189 8.6787 125.9486 55.8110 43.1314 173.4163 28 K 4.7211 6.3663 122.4202 54.5205 35.4759 174.4051 29 Y 4.7736 7.8197 122.7594 55.7489 42.2075 173.3557 30 I 4.3008 8.1860 120.0140 59.8904 39.4321 176.0992 31 D 4.8847 7.9870 126.2139 53.2903 42.8458 177.2271 32 S 4.2974 8.5554 114.1157 60.5447 62.7388 175.6707 33 F 4.4976 8.2141 117.7459 57.0359 39.4720 176.7280 34 G 3.9732 8.0922 109.3093 44.9597 0.0000 173.6037 35 E 4.3108 7.7814 118.0815 54.6623 30.9153 173.7778 36 P 4.2670 0.0000 0.0000 62.8734 31.9965 175.1634 37 Q 4.6885 7.8744 120.7238 54.0617 33.2898 173.9971 38 F 4.9754 8.6639 117.1354 56.1745 43.0174 174.8099 39 V 4.8429 8.7758 114.6845 59.9240 35.2216 174.2856 40 Y 4.9758 8.2897 119.2132 56.6717 41.7348 174.8976 41 S 4.5879 8.0850 111.4364 57.3999 66.5950 175.7829 42 W 4.7385 9.1111 125.3621 56.5894 29.4273 176.1666 43 K 4.9281 8.3326 119.3518 54.9977 35.0781 176.7837 44 L 3.8907 8.8139 123.3153 56.1189 43.1976 176.5733 45 V 4.5521 7.0844 109.6150 58.9194 34.6027 176.3511 46 A 4.1974 8.4403 123.3620 54.4248 18.3015 178.5328 47 T 4.2625 7.6558 104.2950 62.0291 69.6558 174.9716 48 D 4.6911 7.5076 121.9291 54.4113 41.8231 175.0241 49 R 4.5986 8.1028 118.8892 55.4850 32.8564 175.3379 50 V 4.0032 8.3301 119.0312 60.0333 32.7229 174.3671 51 P 4.2662 0.0000 0.0000 62.1502 31.8541 175.7050 52 A 4.1437 8.2773 123.1948 53.8075 18.8654 176.0604 53 G 4.1445 8.9542 107.8681 45.2199 0.0000 174.4240 54 K 4.1849 7.2268 117.6798 54.8558 33.1472 176.9880 55 R 4.3146 8.1135 121.8271 54.9059 31.3700 175.6616 56 D 4.6211 8.2353 118.8596 55.3212 41.2978 175.3192 57 C 4.6998 7.9737 118.5232 58.5920 34.2539 173.0716 58 I 4.1355 8.2317 125.2295 60.1905 37.6348 177.0325 59 S 4.3366 8.6287 120.6163 58.4362 64.5106 175.3940 60 L 3.8937 7.8874 123.0905 58.1533 41.3125 179.8657 61 R 3.8801 7.1916 118.3063 59.7637 29.9427 178.9086 62 E 3.9608 7.8532 117.6786 58.9214 29.3137 179.4476 63 K 3.8513 7.9632 119.7712 59.5037 32.3816 178.5936 64 I 3.5435 8.3625 121.0976 64.6863 36.9587 178.1048 65 A 3.9819 7.6484 120.9750 55.2170 18.0874 179.5769 66 E 3.9355 7.8351 116.9712 59.3326 29.5570 179.4720 67 L 3.8893 8.4546 119.5219 57.9042 41.1159 179.6246 68 Q 4.0467 7.9926 118.0169 58.8123 28.4323 178.5875 69 K 4.0579 7.7007 119.7718 58.6536 32.3362 177.5966 70 D 4.6082 8.4666 117.3709 56.0067 41.6599 178.0245 71 I 4.2343 8.0310 120.0770 62.5877 37.4677 175.1575 72 H 4.6607 7.6906 118.1796 53.9688 29.0876 174.0417 73 D 4.6414 8.4380 125.0189 54.6077 42.0538 173.2018 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 3 E 8.44 4.32 0.00 1.98 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 2.22 2.34 0.00 4 K 7.64 4.23 0.00 1.72 1.73 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.54 7.81 5 R 9.22 4.51 0.00 1.78 1.85 0.00 3.11 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 6 R 8.44 5.43 0.00 1.65 1.72 0.00 3.31 0.00 0.00 3.94 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 7 D 8.44 4.83 0.00 3.21 3.09 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 0.00 0.00 0.00 8 N 9.89 4.62 0.00 2.66 2.93 0.00 0.00 6.86 7.49 0.00 0.00 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 R 8.05 4.37 0.00 2.05 2.01 0.00 3.41 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 10 G 8.60 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 11 R 9.10 4.11 0.00 2.14 1.82 0.00 3.06 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 12 I 8.39 4.38 1.85 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 1.03 1.15 0.90 0.00 0.00 13 L 8.30 4.32 0.00 1.59 1.56 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.46 4.46 0.00 1.69 1.77 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.42 7.81 15 T 8.45 3.81 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 1.24 0.00 0.00 16 G 9.08 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.51 4.59 0.00 2.12 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 0.00 2.27 2.24 0.00 18 S 9.08 4.70 0.00 3.92 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.67 4.90 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.71 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 20 R 7.98 4.48 0.00 1.80 1.78 0.00 3.33 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 21 K 8.33 4.11 0.00 1.73 1.88 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.51 7.81 22 D 7.90 4.53 0.00 2.59 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 23 G 7.70 4.08 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 0.00 0.00 0.00 24 R 6.64 3.12 0.00 1.16 0.66 0.00 2.93 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.31 0.00 25 Y 8.49 4.80 0.00 3.02 2.87 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 26 L 8.61 4.63 0.00 1.45 1.50 0.26 0.84 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 27 Y 8.68 5.32 0.00 2.96 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 6.37 4.72 0.00 1.40 1.12 0.00 1.58 0.00 0.00 1.45 0.00 0.00 2.42 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.55 0.21 7.81 29 Y 7.82 4.77 0.00 3.10 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.19 4.30 1.83 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 0.88 0.00 0.00 31 D 7.99 4.88 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 32 S 8.56 4.30 0.00 3.30 3.25 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 33 F 8.21 4.50 0.00 3.14 3.15 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 34 G 8.09 3.97 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 0.00 0.00 0.00 35 E 7.78 4.31 0.00 2.13 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 2.42 2.42 0.00 36 P 0.00 4.27 0.00 1.93 1.95 0.00 3.67 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 1.99 1.99 0.00 37 Q 7.87 4.69 0.00 1.25 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 38 F 8.66 4.98 0.00 2.95 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.78 4.84 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 1.19 0.00 0.00 1.18 0.00 0.00 40 Y 8.29 4.98 0.00 2.81 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 41 S 8.08 4.59 0.00 3.99 3.74 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 42 W 9.11 4.74 0.00 3.28 3.26 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 43 K 8.33 4.93 0.00 1.83 1.88 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.52 1.54 7.81 44 L 8.81 3.89 0.00 0.54 1.32 0.49 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.08 4.55 2.05 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 0.68 0.00 0.00 0.93 0.00 0.00 46 A 8.44 4.20 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 47 T 7.66 4.26 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 1.21 0.00 0.00 48 D 7.51 4.69 0.00 2.92 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 49 R 8.10 4.60 0.00 1.74 1.77 0.00 3.40 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 50 V 8.33 4.00 2.01 0.00 0.00 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 0.98 0.00 0.00 51 P 0.00 4.27 0.00 2.05 2.10 0.00 3.53 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 52 A 8.28 4.14 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 53 G 8.95 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.23 4.18 0.00 1.54 1.28 0.00 1.25 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.03 0.33 7.81 55 R 8.11 4.31 0.00 1.82 1.89 0.00 3.23 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 56 D 8.24 4.62 0.00 2.69 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 57 C 7.97 4.70 0.00 3.04 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 58 I 8.23 4.14 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.70 0.94 0.00 0.00 59 S 8.63 4.34 0.00 4.15 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 60 L 7.89 3.89 0.00 1.53 1.61 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.19 3.88 0.00 1.92 1.92 0.00 3.18 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 62 E 7.85 3.96 0.00 2.11 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 2.29 2.29 0.00 63 K 7.96 3.85 0.00 2.03 1.74 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.39 1.47 7.81 64 I 8.36 3.54 1.89 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.68 0.81 0.00 0.00 65 A 7.65 3.98 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 66 E 7.84 3.94 0.00 2.18 1.96 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 2.31 2.32 0.00 67 L 8.45 3.89 0.00 1.07 0.96 0.46 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 7.99 4.05 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 69 K 7.70 4.06 0.00 1.76 1.88 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.43 7.81 70 D 8.47 4.61 0.00 2.73 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.03 4.23 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.16 1.09 0.00 0.00 72 H 7.69 4.66 0.00 3.30 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.44 4.64 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00