NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4640 8.4045 118.1946 54.5537 32.0730 176.2547 5 K 4.8033 8.2606 119.3966 52.3173 35.3318 171.1098 6 D 4.9047 9.3387 121.3548 52.0656 43.9762 173.4864 7 V 4.8054 8.2619 116.7243 61.3841 34.6721 174.7650 8 V 4.5039 9.2292 127.3279 61.0840 34.2659 173.7763 9 E 5.2563 8.8762 126.5058 54.6379 32.1972 175.3216 10 I 4.6712 9.0049 124.4996 59.3798 41.0569 174.1928 11 A 5.0192 8.6472 128.1670 50.9153 20.2672 176.8577 12 V 4.4929 8.7413 116.0891 58.5096 35.5892 173.5621 13 P 4.4079 0.0000 0.0000 62.3466 31.5785 176.7016 14 E 3.9495 8.6501 124.3797 59.6390 29.5512 178.4818 15 N 4.5136 8.0630 112.6677 54.0380 37.9655 175.6313 16 L 4.5232 8.0195 119.4375 55.7699 43.3085 178.4052 17 V 3.6664 7.3794 118.0938 66.2965 30.9916 178.2203 18 G 3.6671 8.2324 104.3363 47.4719 0.0000 174.9748 19 A 4.1032 8.3816 121.9232 54.0725 18.3866 179.1141 20 I 3.9910 7.4254 117.8425 63.7114 37.9850 177.1081 21 L 3.8883 7.7048 119.2690 57.4381 42.3034 178.1256 22 G 4.1841 7.9413 107.0669 45.9552 0.0000 172.9839 23 K 4.2902 8.5818 116.3081 56.0720 29.7562 173.0565 24 G 4.2070 9.3970 116.9899 46.4083 0.0000 172.0930 25 G 3.9542 8.2740 110.4401 45.4609 0.0000 177.1509 26 K 3.8334 8.0846 125.2184 60.6453 31.5081 184.1798 27 T 3.7603 7.7124 116.2727 66.2314 67.9129 176.1231 28 L 3.7576 7.9446 122.3735 58.4212 41.9341 179.5909 29 V 3.6225 7.9112 118.2720 65.6187 31.4479 177.5908 30 E 4.5124 8.1768 120.6949 59.3023 29.5755 178.3015 31 Y 4.4520 8.3640 117.0736 61.4221 37.7896 179.0818 32 Q 4.2468 7.8591 119.2471 58.3589 28.9799 178.3049 33 E 3.9823 8.2560 119.6114 59.6328 29.3325 179.3934 34 L 4.0267 8.1530 118.0205 58.1339 41.9103 179.5598 35 T 4.0632 8.0671 109.1312 62.5902 68.8228 174.6123 36 G 3.8675 8.3091 109.1844 46.7896 0.0000 172.7035 37 C 4.9189 7.8562 118.4311 58.0215 31.7327 174.6272 38 R 4.4528 8.3539 122.8693 56.5197 29.8237 174.6538 39 I 4.7238 8.7508 126.5440 59.0727 39.0323 175.5812 40 Q 4.7026 8.9513 123.7765 54.5252 33.7283 173.4962 41 I 5.2287 8.0921 119.8735 58.8938 41.2766 175.0856 42 S 4.3707 9.1248 125.2807 58.4988 63.7813 174.9386 43 K 3.9083 8.9305 122.3435 55.4178 32.0596 179.4263 44 K 4.3879 8.4203 123.2217 58.9593 32.1436 177.7139 45 G 3.4455 7.7679 103.9916 45.6485 0.0000 172.5610 46 E 4.0814 8.5819 123.7310 54.4390 30.0889 174.9407 47 F 6.0582 7.8750 123.3249 54.4396 42.5330 174.9052 48 L 4.3158 8.7976 121.1468 54.4465 41.9706 176.5098 49 P 3.4685 0.0000 0.0000 63.7959 33.3127 175.8387 50 G 4.0848 8.1024 109.8815 44.2200 0.0000 172.3095 51 T 4.4928 7.8442 111.3258 61.4264 71.7856 174.5237 52 R 3.8542 8.2606 120.9377 56.5805 31.6741 170.1430 53 N 4.9282 7.8495 118.7298 53.3708 40.0936 175.7908 54 R 4.8604 9.1696 125.5905 56.1188 32.4356 175.9791 55 K 5.0143 9.0861 123.4914 53.6569 35.0171 173.7004 56 V 4.7600 9.0922 126.1583 60.6498 33.9301 174.6047 57 T 5.1219 9.2665 124.2427 61.9022 71.7899 172.7417 58 I 5.1040 8.9074 128.1975 59.6744 39.5228 174.9100 59 T 4.9287 8.9074 116.7301 59.3187 71.8729 174.0635 60 G 4.3894 8.0393 111.5710 45.5149 0.0000 171.9946 61 T 4.3856 7.7961 117.0035 63.1486 70.3764 173.1923 62 P 4.7365 0.0000 0.0000 65.1707 31.3788 179.0414 63 A 3.9982 7.9312 118.9793 54.9877 18.4450 179.4097 64 A 3.9985 7.8448 119.1783 55.3611 18.5938 179.7521 65 T 3.9245 8.5047 108.6530 64.4535 68.8292 176.8440 66 Q 3.8928 7.8042 122.7349 59.2932 29.1343 177.3258 67 A 3.9403 8.0441 121.4263 55.1727 18.3504 178.9961 68 A 3.8566 8.2427 118.1242 55.6494 18.4205 179.1020 69 Q 3.8693 8.1196 117.3917 59.8645 28.9367 178.1192 70 Y 4.1260 8.2606 119.9300 60.9352 38.5854 178.4043 71 L 3.5675 7.7745 117.9238 57.7946 41.7700 179.0774 72 I 4.0977 8.0066 119.8721 65.2505 36.9934 178.6947 73 T 3.9499 8.1467 116.2751 66.2999 67.9227 176.4106 74 Q 3.8706 7.6986 123.6508 59.9276 29.0527 179.1367 75 R 4.0993 7.3529 118.6835 61.3904 29.5142 178.2948 76 I 4.0916 7.2313 122.3976 61.4768 37.0571 175.7813 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 4 M 8.40 4.46 0.00 2.14 1.78 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 5 K 8.26 4.80 0.00 1.60 1.55 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.07 7.81 6 D 9.34 4.90 0.00 2.71 2.78 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 7 V 8.26 4.81 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 0.81 0.00 0.00 0.94 0.00 0.00 8 V 9.23 4.50 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 1.02 0.00 0.00 0.95 0.00 0.00 9 E 8.88 5.26 0.00 1.87 1.83 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 2.21 2.31 0.00 10 I 9.00 4.67 1.89 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 1.18 1.06 0.93 0.00 0.00 11 A 8.65 5.02 1.24 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 0.00 0.00 0.00 12 V 8.74 4.49 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 0.75 0.00 0.00 0.96 0.00 0.00 13 P 0.00 4.41 0.00 2.05 2.25 0.00 3.89 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 2.06 1.80 0.00 14 E 8.65 3.95 0.00 2.14 1.90 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 2.48 2.38 0.00 15 N 8.06 4.51 0.00 2.83 2.90 0.00 0.00 5.87 7.79 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 16 L 8.02 4.52 0.00 1.85 1.71 0.91 0.88 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 17 V 7.38 3.67 2.26 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 1.02 0.00 0.00 1.01 0.00 0.00 18 G 8.23 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 0.00 0.00 0.00 19 A 8.38 4.10 1.30 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 0.00 0.00 0.00 20 I 7.43 3.99 1.99 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 1.54 0.62 0.90 0.00 0.00 21 L 7.70 3.89 0.00 1.71 1.66 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.94 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 0.00 0.00 0.00 23 K 8.58 4.29 0.00 1.69 1.76 0.00 1.94 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.45 1.03 7.81 24 G 9.40 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.27 3.95 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 0.00 0.00 0.00 26 K 8.08 3.83 0.00 1.79 1.87 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.39 7.81 27 T 7.71 3.76 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 0.43 0.00 0.00 28 L 7.94 3.76 0.00 1.74 1.78 0.90 1.05 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 29 V 7.91 3.62 2.30 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 0.98 0.00 0.00 0.93 0.00 0.00 30 E 8.18 4.51 0.00 2.06 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 2.51 2.30 0.00 31 Y 8.36 4.45 0.00 2.94 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 32 Q 7.86 4.25 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 33 E 8.26 3.98 0.00 2.25 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 2.35 2.64 0.00 34 L 8.15 4.03 0.00 1.62 1.74 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.07 4.06 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 36 G 8.31 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 37 C 7.86 4.92 0.00 2.86 2.83 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 38 R 8.35 4.45 0.00 1.52 1.84 0.00 3.24 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 39 I 8.75 4.72 2.00 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 1.28 1.26 0.95 0.00 0.00 40 Q 8.95 4.70 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 41 I 8.09 5.23 1.88 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 1.41 1.04 0.91 0.00 0.00 42 S 9.12 4.37 0.00 3.84 3.85 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 0.00 0.00 0.00 0.00 43 K 8.93 3.91 0.00 1.70 1.75 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.05 7.81 44 K 8.42 4.39 0.00 1.70 1.84 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.43 7.81 45 G 7.77 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.58 4.08 0.00 1.82 1.82 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 2.18 2.25 0.00 47 F 7.87 6.06 0.00 3.08 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 48 L 8.80 4.32 0.00 1.73 1.62 0.95 1.02 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 49 P 0.00 3.47 0.00 2.21 1.93 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 50 G 8.10 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 51 T 7.84 4.49 4.20 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 1.21 0.00 0.00 52 R 8.26 3.85 0.00 1.47 1.86 0.00 3.24 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 53 N 7.85 4.93 0.00 2.62 2.88 0.00 0.00 7.05 7.55 0.00 0.00 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 R 9.17 4.86 0.00 1.83 1.94 0.00 3.44 0.00 0.00 3.67 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.72 0.00 55 K 9.09 5.01 0.00 1.38 1.64 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.21 7.81 56 V 9.09 4.76 2.11 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 0.93 0.00 0.00 0.95 0.00 0.00 57 T 9.27 5.12 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 1.22 0.00 0.00 58 I 8.91 5.10 1.89 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 1.32 0.79 0.94 0.00 0.00 59 T 8.91 4.93 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 1.22 0.00 0.00 60 G 8.04 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.80 4.39 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 1.26 0.00 0.00 62 P 0.00 4.74 0.00 2.15 2.10 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 63 A 7.93 4.00 1.30 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 0.00 0.00 0.00 64 A 7.84 4.00 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 65 T 8.50 3.92 4.26 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 1.32 0.00 0.00 66 Q 7.80 3.89 0.00 2.20 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 67 A 8.04 3.94 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 68 A 8.24 3.86 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.12 3.87 0.00 2.44 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 70 Y 8.26 4.13 0.00 3.09 3.22 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 71 L 7.77 3.57 0.00 1.21 0.38 0.29 0.66 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 72 I 8.01 4.10 2.10 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.51 0.96 0.00 0.00 73 T 8.15 3.95 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 74 Q 7.70 3.87 0.00 1.61 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 75 R 7.35 4.10 0.00 2.00 1.84 0.00 3.32 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 1.58 1.55 0.00 76 I 7.23 4.09 1.86 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 1.30 1.21 0.90 0.00 0.00