NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5561 8.1476 118.3260 55.2073 33.3874 173.6083 2 Q 4.8207 8.4131 120.2851 52.7254 30.9810 173.3239 3 I 4.6329 9.0696 118.6439 59.2658 41.2786 175.4183 4 F 5.3396 9.1065 121.2445 55.7685 42.0005 175.3016 5 V 4.9390 9.1851 122.0086 61.2557 33.9432 174.0118 6 K 5.0921 9.5601 130.6039 54.9915 34.6403 175.3971 7 T 4.9584 8.7358 117.0234 59.7515 71.2916 175.5060 8 L 3.9750 8.6329 121.7842 58.0367 41.6470 178.6434 9 T 4.0788 7.8428 105.9526 61.9671 69.0391 175.3268 10 G 3.8725 8.4516 111.1189 45.3196 0.0000 173.0456 11 K 4.4557 7.5527 120.6355 55.7243 33.4707 175.7900 12 T 5.4011 8.4630 122.6298 61.8459 72.8831 173.0647 13 I 4.8202 8.8649 117.6244 59.3728 40.9151 174.5232 14 T 4.8323 8.4811 114.0014 60.7940 71.0049 173.9715 15 L 4.6488 8.2888 122.3423 53.3934 46.4452 174.9565 16 E 4.7708 8.7702 123.6084 55.8196 30.2240 176.0890 17 V 4.7108 8.6254 117.1718 59.9006 36.4757 174.3602 18 E 4.7835 8.8524 120.3053 53.9348 32.4086 176.2318 19 P 4.1789 0.0000 0.0000 65.1118 31.5763 178.0547 20 S 4.5337 7.8149 110.4433 58.4246 63.9866 174.2236 21 D 4.4441 8.0649 123.3483 54.5933 41.2851 176.2207 22 T 4.7690 8.1635 113.5231 60.9565 71.5200 176.0631 23 I 3.7230 8.5119 122.7742 64.4787 37.0600 178.4155 24 E 3.9080 8.3412 120.2298 59.2033 29.4378 178.3751 25 N 4.2768 8.0724 117.0944 56.7631 39.0542 177.0086 26 V 3.5998 7.7992 119.5990 65.9951 31.5680 178.1683 27 K 4.3769 8.6458 119.5394 58.8288 31.7816 179.2292 28 A 3.9810 8.0029 121.2106 55.2098 18.4184 179.8830 29 K 3.9390 8.1204 116.9708 59.5898 32.0655 179.7488 30 I 3.7631 7.7776 120.3091 64.2293 36.9136 178.2039 31 Q 4.2438 8.1853 121.8983 58.8460 28.6800 178.0242 32 D 4.3401 8.1062 118.9365 56.9079 40.8619 178.0591 33 K 4.2386 7.6637 118.3896 57.8461 32.7202 177.4476 34 E 4.6738 8.5380 115.7113 54.7123 31.1273 176.5668 35 G 3.8522 8.2042 107.0392 46.2711 0.0000 173.1463 36 I 4.3385 7.4174 120.5099 58.3131 38.6975 173.7177 37 P 4.3892 0.0000 0.0000 61.8706 32.1250 175.5261 38 P 4.5072 0.0000 0.0000 65.7998 31.3790 177.9409 39 D 4.5168 8.0522 115.4541 55.2194 39.8686 176.5123 40 Q 5.0039 8.3491 118.7126 55.1276 30.2194 174.6312 41 Q 4.8373 7.9285 119.7402 54.0876 31.4751 174.4861 42 R 4.7747 9.0356 124.2911 54.5675 32.8288 174.0541 43 L 5.1843 8.4970 126.1093 53.3813 44.3273 175.5072 44 I 5.0737 9.0258 123.3522 59.5464 41.3220 174.3656 45 F 5.0392 8.7967 127.4498 56.8215 42.7694 174.4029 46 A 3.5067 8.9600 129.3333 53.2265 15.7611 177.8719 47 G 3.8847 8.1993 106.3021 46.6837 0.0000 174.1416 48 K 4.4468 7.6431 119.9087 54.6163 33.6192 175.3801 49 Q 4.4148 8.4691 124.6293 55.8849 29.6084 175.1138 50 L 4.0910 8.5308 127.3132 54.1326 43.0319 176.0088 51 E 4.5501 9.2588 123.2485 54.9660 31.1075 176.6573 52 D 4.4967 9.2547 124.9636 57.7381 41.0665 179.5889 53 G 3.6443 8.0276 105.4819 47.6749 0.0000 173.8552 54 R 4.2918 8.0996 119.7066 55.5254 31.0036 175.6007 55 T 5.5721 7.9789 108.9773 59.2789 70.9634 175.9492 56 L 3.9847 8.2914 121.0230 57.6870 41.9966 180.0644 57 S 4.1264 8.2790 113.6323 61.0975 63.2926 176.0515 58 D 4.1679 7.8630 120.3313 57.1012 40.5052 176.8833 59 Y 4.5058 7.2581 113.2856 56.9766 38.1911 174.7409 60 N 4.1832 8.1588 117.6468 54.4007 37.9695 174.3184 61 I 3.4603 7.9245 117.7183 60.9732 37.8024 176.3690 62 Q 4.5614 8.4546 124.2623 53.4644 30.9833 175.0650 63 K 4.1161 8.2733 118.4548 58.2231 32.2917 177.4250 64 E 3.9849 8.9955 121.3987 56.8761 27.9365 174.9586 65 S 4.5853 7.9442 115.7543 59.0691 64.2870 173.1368 66 T 5.2226 8.6799 118.4757 62.0437 70.4913 173.7587 67 L 4.9022 9.6240 127.4540 53.7268 44.4705 175.0968 68 H 5.2169 9.2738 120.2828 54.3774 30.7017 173.6024 69 L 5.0684 9.0912 126.3288 53.5010 43.4411 175.7186 70 V 4.5271 8.9311 125.8000 60.5740 35.1902 174.2059 71 L 4.3684 8.6549 129.3975 55.4103 42.8224 176.3830 72 R 4.3959 9.2352 128.2113 54.4230 30.8012 174.4168 73 L 4.2488 8.3016 125.1453 53.8243 41.2340 177.5770 74 R 3.9551 8.5414 123.6141 55.9864 30.6059 177.4762 75 G 3.8034 8.7182 110.2241 45.9958 0.0000 173.0897 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 8.15 4.56 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.68 0.00 2 Q 8.41 4.82 0.00 1.98 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 3 I 9.07 4.63 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.72 0.81 0.00 0.00 4 F 9.11 5.34 0.00 3.00 2.96 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 5 V 9.19 4.94 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 1.05 0.00 0.00 0.93 0.00 0.00 6 K 9.56 5.09 0.00 1.83 1.64 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.36 7.81 7 T 8.74 4.96 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 1.23 0.00 0.00 8 L 8.63 3.97 0.00 1.66 1.78 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.84 4.08 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 1.21 0.00 0.00 10 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 11 K 7.55 4.46 0.00 1.97 1.69 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.47 7.81 12 T 8.46 5.40 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 13 I 8.86 4.82 1.89 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 1.54 0.98 0.96 0.00 0.00 14 T 8.48 4.83 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 1.25 0.00 0.00 15 L 8.29 4.65 0.00 1.50 1.48 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.77 4.77 0.00 1.81 1.85 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 2.23 2.24 0.00 17 V 8.63 4.71 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 0.63 0.00 0.00 0.92 0.00 0.00 18 E 8.85 4.78 0.00 2.03 1.78 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 2.19 2.22 0.00 19 P 0.00 4.18 0.00 2.15 2.09 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 20 S 7.81 4.53 0.00 3.96 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 21 D 8.06 4.44 0.00 2.83 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 4.77 4.51 0.00 0.00 0.00 0.00 0.00 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 23 I 8.51 3.72 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.97 0.96 0.00 0.00 24 E 8.34 3.91 0.00 2.10 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 2.31 2.37 0.00 25 N 8.07 4.28 0.00 2.89 3.00 0.00 0.00 6.85 7.76 0.00 0.00 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 V 7.80 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 0.95 0.00 0.00 0.99 0.00 0.00 27 K 8.65 4.38 0.00 2.00 1.95 0.00 1.74 0.00 0.00 1.94 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.52 7.81 28 A 8.00 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.12 3.94 0.00 1.97 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.69 7.81 30 I 7.78 3.76 2.02 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 1.40 0.77 0.91 0.00 0.00 31 Q 8.19 4.24 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 32 D 8.11 4.34 0.00 2.87 2.72 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 0.00 0.00 0.00 0.00 33 K 7.66 4.24 0.00 1.76 1.82 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.46 7.81 34 E 8.54 4.67 0.00 1.99 1.93 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 2.23 2.43 0.00 35 G 8.20 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 36 I 7.42 4.34 1.87 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 1.42 1.37 0.91 0.00 0.00 37 P 0.00 4.39 0.00 2.38 1.97 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.51 0.00 2.17 2.19 0.00 3.59 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.05 4.52 0.00 2.79 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 40 Q 8.35 5.00 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 41 Q 7.93 4.84 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 42 R 9.04 4.77 0.00 1.83 1.86 0.00 3.07 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 43 L 8.50 5.18 0.00 1.60 1.52 0.91 0.77 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 I 9.03 5.07 1.93 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 1.11 0.68 0.99 0.00 0.00 45 F 8.80 5.04 0.00 2.97 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 46 A 8.96 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.20 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 0.00 0.00 0.00 48 K 7.64 4.45 0.00 2.07 1.73 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.38 7.81 49 Q 8.47 4.41 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.53 4.09 0.00 1.44 1.32 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.26 4.55 0.00 2.03 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 0.00 2.40 2.51 0.00 52 D 9.25 4.50 0.00 2.72 2.85 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 53 G 8.03 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.29 0.00 2.15 1.82 0.00 3.19 0.00 0.00 2.88 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 55 T 7.98 5.57 4.46 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 1.27 0.00 0.00 56 L 8.29 3.98 0.00 1.71 1.70 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.28 4.13 0.00 4.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.86 4.17 0.00 2.63 2.32 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 59 Y 7.26 4.51 0.00 2.76 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 60 N 8.16 4.18 0.00 2.86 2.98 0.00 0.00 7.14 8.64 0.00 0.00 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 I 7.92 3.46 1.77 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.28 0.59 0.00 0.00 62 Q 8.45 4.56 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.98 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 63 K 8.27 4.12 0.00 1.75 1.74 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.46 7.81 64 E 9.00 3.98 0.00 2.24 2.36 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 2.26 2.49 0.00 65 S 7.94 4.59 0.00 3.81 3.81 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 66 T 8.68 5.22 4.30 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 1.17 0.00 0.00 67 L 9.62 4.90 0.00 1.48 1.58 0.85 0.75 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 68 H 9.27 5.22 0.00 3.12 3.23 0.00 5.79 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.09 5.07 0.00 1.59 1.58 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.93 4.53 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 0.97 0.00 0.00 0.94 0.00 0.00 71 L 8.65 4.37 0.00 1.68 1.57 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.24 4.40 0.00 1.92 1.83 0.00 3.20 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 73 L 8.30 4.25 0.00 1.68 1.64 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.54 3.96 0.00 1.80 1.89 0.00 3.38 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 75 G 8.72 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