NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3987 8.1585 120.3450 55.5088 34.6691 177.6097 2 A 4.0522 7.9116 121.2289 53.7106 18.7340 178.0552 3 K 3.8961 8.8040 117.0649 59.4389 33.2928 176.2979 4 E 3.8176 7.8153 117.0023 57.4676 29.7701 177.1581 5 F 4.7026 7.3343 114.4070 55.9718 41.0497 176.0569 6 G 4.0167 8.1027 108.2727 46.2443 0.0000 173.3456 7 I 4.1377 7.7552 121.4192 59.2872 37.9069 174.2659 8 P 4.4354 0.0000 0.0000 62.1488 33.1899 177.0907 9 A 4.0024 8.7358 122.4902 55.6435 17.7197 180.1750 10 A 3.9685 7.9584 118.5540 55.0888 18.4097 179.9043 11 V 3.6020 7.7077 116.1068 65.8512 31.7625 177.9311 12 A 4.1029 8.4171 121.0884 55.2106 18.2457 179.8253 13 G 3.5729 8.4935 104.6083 48.2037 0.0000 175.9681 14 T 3.8592 7.5932 117.0790 66.3618 68.4953 176.7790 15 V 3.5970 7.9644 120.1205 66.1958 31.5679 178.1607 16 L 4.0730 8.2152 118.6743 57.7537 41.3683 179.2813 17 N 4.3760 8.2564 116.7693 56.0224 38.3736 177.6559 18 V 3.5575 7.6090 119.4731 65.7552 31.6220 178.1574 19 V 3.5980 7.8975 118.0031 66.3306 31.2130 178.0178 20 E 4.0509 8.2049 116.3243 58.7878 29.3523 178.2661 21 A 4.3739 7.8952 118.6427 51.4397 18.9159 177.3095 22 G 3.8003 7.9809 105.4099 46.3013 0.0000 174.6373 23 G 3.8521 7.9810 108.8285 44.1221 0.0000 174.2489 24 W 4.5216 8.3377 118.7929 56.3618 29.8251 177.9409 25 V 3.6947 8.7229 121.7066 66.5253 30.9054 178.6414 26 T 3.9581 8.0637 108.8588 64.9020 68.5679 176.5809 27 T 3.9412 7.9442 118.8046 66.6292 68.5119 176.7032 28 I 3.7398 7.7818 121.2592 64.3615 37.1196 178.4603 29 V 3.6233 8.2043 119.7029 66.0635 31.3741 178.2715 30 S 4.1485 8.5076 114.3818 61.3962 62.3279 176.5971 31 I 3.7009 7.9223 123.4212 64.2408 36.8831 178.4439 32 L 4.0585 8.0828 119.8432 58.0031 41.3642 179.6608 33 T 3.8713 8.3258 115.9602 66.5591 68.1522 176.4998 34 A 4.0901 7.8161 121.5603 54.7156 18.4102 179.5023 35 V 3.6866 7.1709 115.4907 66.0798 32.3038 175.9066 36 G 3.9303 8.5723 104.0085 43.7988 0.0000 174.2468 37 S 4.1651 9.2545 112.6968 61.8642 62.3683 177.4385 38 G 4.0501 7.6127 108.9238 47.2720 0.0000 175.7082 39 G 4.1121 7.8893 108.9968 47.1165 0.0000 175.6797 40 L 3.9986 7.9827 121.4513 57.5383 41.4956 179.8502 41 S 4.1478 8.2189 115.4893 61.4028 62.4069 176.4435 42 L 2.8102 7.3309 122.6032 57.6633 41.4683 178.9074 43 L 3.8957 7.6535 117.7793 57.8179 41.8199 179.1239 44 A 4.0661 8.0154 120.4139 54.8159 18.1247 179.4823 45 A 3.9487 7.8766 118.3752 54.8452 18.7167 179.3018 46 A 2.6495 7.4349 118.8193 51.6463 18.4639 178.8100 47 G 3.6523 8.0529 105.4791 47.3060 0.0000 175.2676 48 R 4.3707 8.6809 123.4794 55.6876 30.2926 175.7477 49 E 4.4433 7.7317 118.5481 55.0796 30.7657 177.2222 50 S 4.3410 8.3445 116.8803 58.3305 65.1459 175.3155 51 I 3.7618 8.3368 122.7023 64.0682 37.6964 178.2632 52 K 3.9590 8.0851 119.9912 59.4527 32.1931 178.4982 53 A 4.0272 8.1872 121.1131 55.2203 18.3019 178.9801 54 Y 4.1233 8.3145 118.0732 61.0667 38.8865 178.3839 55 L 3.9015 8.2730 119.9679 57.4887 41.6879 179.5205 56 K 3.8804 8.2220 118.6695 59.3404 32.0920 179.2291 57 K 3.8758 7.9461 119.6897 59.4844 32.0904 178.5691 58 E 3.6164 7.8239 118.7856 59.4161 29.2471 179.4952 59 I 3.5968 7.8011 119.7819 64.3283 36.9788 178.4388 60 K 3.9239 7.9103 119.2993 58.7950 32.0380 178.0968 61 K 4.2523 7.7376 117.1953 57.6396 33.2489 177.9098 62 K 4.3072 8.3200 118.4152 54.9312 34.4986 177.5503 63 G 3.9779 7.9066 104.8973 45.3162 0.0000 174.0119 64 K 3.8221 8.7649 121.7088 59.5397 32.1603 179.0421 65 R 3.8676 8.0471 117.9763 59.6106 30.0038 178.1638 66 A 4.0699 7.9383 119.9450 55.0237 18.2045 179.6574 67 V 3.7048 7.7634 116.2411 66.0883 31.7935 177.9345 68 I 3.9347 8.1716 119.6697 64.4640 36.9991 178.1904 69 A 4.0552 8.1231 121.5237 54.8155 18.1631 177.3008 70 W 4.3091 8.5858 131.5780 57.7753 30.8259 175.4731 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 8.16 4.40 0.00 2.15 2.42 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.11 2.64 0.00 2 A 7.91 4.05 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 3 K 8.80 3.90 0.00 1.74 1.81 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.36 7.81 4 E 7.82 3.82 0.00 1.16 1.12 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 1.99 1.76 0.00 5 F 7.33 4.70 0.00 3.10 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 6 G 8.10 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.76 4.14 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.19 0.92 0.00 0.00 8 P 0.00 4.44 0.00 2.16 1.97 0.00 3.62 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 9 A 8.74 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.96 3.97 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 11 V 7.71 3.60 2.21 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 1.12 0.00 0.00 0.93 0.00 0.00 12 A 8.42 4.10 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 13 G 8.49 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.59 3.86 4.43 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 1.20 0.00 0.00 15 V 7.96 3.60 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 1.06 0.00 0.00 0.98 0.00 0.00 16 L 8.22 4.07 0.00 1.75 1.72 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.26 4.38 0.00 2.88 2.85 0.00 0.00 6.54 7.84 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 18 V 7.61 3.56 2.25 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 0.99 0.00 0.00 0.93 0.00 0.00 19 V 7.90 3.60 2.27 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 0.99 0.00 0.00 1.04 0.00 0.00 20 E 8.20 4.05 0.00 1.98 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 0.00 2.35 2.55 0.00 21 A 7.90 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.98 3.80 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 0.00 0.00 0.00 23 G 7.98 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 0.00 0.00 0.00 24 W 8.34 4.52 0.00 3.38 2.98 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 0.00 0.00 0.00 25 V 8.72 3.69 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 1.21 0.00 0.00 0.97 0.00 0.00 26 T 8.06 3.96 4.34 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 0.00 0.00 0.00 1.21 0.00 0.00 27 T 7.94 3.94 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 28 I 7.78 3.74 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.82 0.95 0.00 0.00 29 V 8.20 3.62 2.24 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 1.15 0.00 0.00 0.99 0.00 0.00 30 S 8.51 4.15 0.00 4.09 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 0.00 31 I 7.92 3.70 1.88 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 1.52 1.22 0.91 0.00 0.00 32 L 8.08 4.06 0.00 1.68 1.82 0.89 0.57 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 33 T 8.33 3.87 4.42 0.00 0.00 0.00 0.00 0.00 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 34 A 7.82 4.09 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 35 V 7.17 3.69 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 0.84 0.00 0.00 0.98 0.00 0.00 36 G 8.57 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 0.00 0.00 0.00 37 S 9.25 4.17 0.00 3.90 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.61 4.05 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 0.00 0.00 0.00 39 G 7.89 4.11 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 0.00 0.00 0.00 40 L 7.98 4.00 0.00 1.85 1.71 0.91 0.79 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 41 S 8.22 4.15 0.00 4.16 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 42 L 7.33 2.81 0.00 0.50 1.37 0.70 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.65 3.90 0.00 1.77 1.67 0.89 0.69 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 44 A 8.02 4.07 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 45 A 7.88 3.95 1.49 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 46 A 7.43 2.65 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 G 8.05 3.65 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 0.00 0.00 0.00 48 R 8.68 4.37 0.00 1.80 1.96 0.00 3.20 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 49 E 7.73 4.44 0.00 2.21 1.95 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 2.36 2.27 0.00 50 S 8.34 4.34 0.00 4.07 4.02 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 0.00 0.00 0.00 0.00 51 I 8.34 3.76 1.90 0.00 0.00 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 1.56 1.28 0.95 0.00 0.00 52 K 8.09 3.96 0.00 1.92 1.84 0.00 1.82 0.00 0.00 1.97 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.55 7.81 53 A 8.19 4.03 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 54 Y 8.31 4.12 0.00 3.10 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 55 L 8.27 3.90 0.00 1.78 1.73 1.00 1.12 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 56 K 8.22 3.88 0.00 2.08 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.59 7.81 57 K 7.95 3.88 0.00 1.82 1.89 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.43 7.81 58 E 7.82 3.62 0.00 1.86 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 59 I 7.80 3.60 1.97 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 1.38 0.81 0.88 0.00 0.00 60 K 7.91 3.92 0.00 1.72 1.92 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.42 7.81 61 K 7.74 4.25 0.00 1.90 1.83 0.00 1.48 0.00 0.00 1.59 0.00 0.00 2.74 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.52 1.29 7.81 62 K 8.32 4.31 0.00 1.70 1.74 0.00 1.23 0.00 0.00 1.48 0.00 0.00 2.77 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.20 1.15 7.81 63 G 7.91 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.76 3.82 0.00 1.83 1.83 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.52 7.81 65 R 8.05 3.87 0.00 1.92 1.93 0.00 3.24 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 66 A 7.94 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.76 3.70 2.24 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 1.07 0.00 0.00 0.90 0.00 0.00 68 I 8.17 3.93 2.09 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 1.51 1.43 0.96 0.00 0.00 69 A 8.12 4.06 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 W 8.59 4.31 0.00 3.42 3.40 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