NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4613 8.1633 118.3264 55.2655 33.6006 173.5953 2 Q 4.8878 8.2789 119.1500 52.6948 30.8953 173.2679 3 I 4.3457 9.2477 117.8980 58.8989 41.9504 173.8600 4 F 5.6882 8.6768 121.0827 55.8208 42.5374 174.7899 5 V 4.8321 8.7060 120.8383 61.0146 34.8548 174.2097 6 K 4.7571 9.0532 130.4573 55.9776 33.4372 176.9766 7 T 4.5016 8.8908 118.7049 60.4385 70.1588 175.5338 8 L 4.0545 8.3964 120.8488 57.1678 41.6451 178.2909 9 T 4.3169 7.9926 106.9967 61.1113 68.9409 175.3047 10 G 3.8872 8.2459 109.5766 45.8238 0.0000 174.2257 11 K 4.2915 7.6984 119.2159 56.1885 32.8836 175.6159 12 T 5.1920 8.2008 116.6917 61.8268 70.7521 173.9007 13 I 4.7901 8.7974 119.3785 59.2152 41.1819 174.3028 14 T 5.3057 8.5095 112.4605 60.0467 71.4139 173.2098 15 L 4.8381 8.9298 123.3177 52.9722 45.3906 174.9030 16 E 4.8742 8.7133 123.6544 55.1782 30.6190 175.2751 17 V 4.7221 8.7777 119.5666 60.0346 36.6388 173.8092 18 E 4.7042 9.1241 122.0599 53.7883 32.1880 175.2161 19 P 4.2867 0.0000 0.0000 65.4276 31.6054 178.5380 20 S 4.3460 7.9126 110.7705 59.4596 63.8017 174.2463 21 D 4.3874 7.9185 122.8989 54.9899 41.2875 176.4960 22 T 4.6343 8.2820 113.8059 61.3380 71.1146 175.7081 23 I 3.7078 8.6391 123.6685 64.6694 37.1138 178.5317 24 E 3.9529 8.2395 118.9007 59.5178 29.4315 178.7809 25 N 4.2896 8.1353 116.8831 56.7069 39.0515 177.1164 26 V 3.5896 7.7456 119.5469 65.9709 31.6227 178.1419 27 K 4.2133 8.7191 119.7493 58.7725 31.8210 179.1304 28 A 4.0265 8.1305 121.1396 55.1909 18.2326 179.8782 29 K 4.1494 7.8995 116.4859 59.5464 32.0226 179.7757 30 I 3.8395 7.8092 120.3204 64.1897 37.0380 177.9117 31 Q 4.0346 8.4867 120.9164 59.4696 28.5680 178.1783 32 D 4.3880 7.8281 118.4676 57.5505 40.9952 178.7112 33 K 4.2217 7.5385 115.4139 58.2516 32.5788 178.2492 34 E 4.5003 8.8272 116.8626 55.3718 30.5014 177.3615 35 G 3.8947 8.0803 106.1722 45.4779 0.0000 173.2675 36 I 4.1191 7.4418 120.6996 59.2637 38.0647 174.0815 37 P 4.3448 0.0000 0.0000 62.0538 32.1260 175.3153 38 P 4.2510 0.0000 0.0000 65.8364 31.3827 178.3641 39 D 4.4340 8.0998 115.6429 55.7577 39.3495 176.8456 40 Q 4.3521 7.8769 117.0412 56.0505 29.1701 175.7625 41 Q 4.2619 7.7942 118.7932 55.3268 29.7176 174.9167 42 R 4.8510 8.4689 120.1330 54.5150 33.4126 174.2414 43 L 5.2770 8.5234 123.8180 52.9397 44.9225 175.6506 44 I 5.1203 8.8102 123.1997 59.5832 41.4285 174.3987 45 F 5.0597 8.9027 127.0579 56.9433 42.8253 174.3904 46 A 3.1463 8.9486 129.4210 53.2528 15.7497 177.4224 47 G 3.9048 8.2208 104.5230 46.5735 0.0000 173.7068 48 K 4.6537 7.6678 118.8731 54.0189 34.9254 175.5629 49 Q 4.5047 8.6313 122.3881 55.9061 29.5846 175.4023 50 L 4.0533 8.3947 124.1211 53.5585 42.4410 175.9646 51 E 4.7654 9.2141 124.1111 54.3326 32.0593 175.7868 52 D 4.4623 8.6196 122.8100 56.0577 41.4342 177.0636 53 G 3.9908 9.0331 111.5808 45.1580 0.0000 173.7381 54 R 4.6404 7.5668 118.3121 54.8191 32.3431 175.2361 55 T 5.0698 8.3654 109.3456 59.6042 71.5679 175.5152 56 L 4.0784 8.5992 122.5655 58.1857 41.5143 180.1586 57 S 4.1659 8.1408 114.0197 61.5784 62.5504 176.2159 58 D 4.2932 7.6541 121.3037 56.6218 39.4900 177.3456 59 Y 4.6321 7.8641 114.9918 56.6283 38.0793 175.5709 60 N 4.4893 8.0256 115.9930 54.0916 36.9372 174.5502 61 I 3.4190 7.0854 118.9367 61.2220 37.7512 175.5539 62 Q 4.5585 8.7759 122.2566 53.4995 31.9072 174.2126 63 K 4.0163 8.4053 116.7355 58.6736 32.4820 176.6409 64 E 2.9184 8.8382 120.3758 56.5517 27.9187 174.8162 65 S 4.4005 7.7046 115.8543 59.2918 64.1643 173.3956 66 T 5.1297 8.7119 119.5936 62.0855 70.1552 173.9962 67 L 4.9404 8.9575 127.1037 53.9282 44.4201 175.3197 68 H 5.1816 8.9015 117.7564 53.9585 32.0425 173.1635 69 L 4.7110 8.6509 123.8540 54.5283 42.2623 176.5805 70 V 4.5047 8.4724 123.5288 60.6854 34.0977 175.3340 71 L 4.1634 8.4840 127.1042 54.3678 42.1821 177.4555 72 R 4.1860 8.4178 122.2467 55.9078 30.4481 176.6539 73 L 4.1063 8.8520 121.3446 54.7279 42.2549 177.4304 74 R 3.9335 8.4220 121.5662 57.6427 30.4902 177.1282 75 G 3.9853 9.7153 109.1273 45.8659 0.0000 173.8640 76 G 3.8355 7.8098 106.2208 45.8016 0.0000 173.6210 77 D 4.7043 8.8783 120.6091 55.0069 41.0680 173.3993 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 4.46 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 2 Q 8.28 4.89 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 3 I 9.25 4.35 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.23 0.76 0.00 0.00 4 F 8.68 5.69 0.00 2.97 2.86 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 5 V 8.71 4.83 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 1.02 0.00 0.00 0.93 0.00 0.00 6 K 9.05 4.76 0.00 1.78 1.62 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.54 7.81 7 T 8.89 4.50 4.36 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 1.35 0.00 0.00 8 L 8.40 4.05 0.00 1.66 1.78 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.99 4.32 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 8.25 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 11 K 7.70 4.29 0.00 1.78 1.74 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.55 7.81 12 T 8.20 5.19 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 1.07 0.00 0.00 13 I 8.80 4.79 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 1.42 0.76 0.98 0.00 0.00 14 T 8.51 5.31 4.57 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 1.35 0.00 0.00 15 L 8.93 4.84 0.00 1.57 1.53 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.71 4.87 0.00 1.96 1.84 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 0.00 2.21 2.30 0.00 17 V 8.78 4.72 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 0.65 0.00 0.00 0.93 0.00 0.00 18 E 9.12 4.70 0.00 2.03 1.73 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 2.17 2.27 0.00 19 P 0.00 4.29 0.00 2.19 2.06 0.00 3.62 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 2.04 0.00 20 S 7.91 4.35 0.00 3.97 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 21 D 7.92 4.39 0.00 2.89 2.64 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 22 T 8.28 4.63 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 23 I 8.64 3.71 2.03 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 1.90 1.17 0.90 0.00 0.00 24 E 8.24 3.95 0.00 2.06 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 0.00 2.41 2.45 0.00 25 N 8.14 4.29 0.00 2.81 2.99 0.00 0.00 6.88 7.77 0.00 0.00 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 7.75 3.59 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.96 0.00 0.00 27 K 8.72 4.21 0.00 1.96 1.84 0.00 1.85 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.49 7.81 28 A 8.13 4.03 1.39 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 29 K 7.90 4.15 0.00 2.01 1.87 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.64 7.81 30 I 7.81 3.84 2.13 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.88 0.91 0.00 0.00 31 Q 8.49 4.03 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 32 D 7.83 4.39 0.00 2.90 2.74 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 33 K 7.54 4.22 0.00 1.78 1.86 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 34 E 8.83 4.50 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 35 G 8.08 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 36 I 7.44 4.12 1.87 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 1.42 0.60 0.91 0.00 0.00 37 P 0.00 4.34 0.00 2.29 1.98 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.11 0.00 38 P 0.00 4.25 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.91 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 8.10 4.43 0.00 2.76 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 40 Q 7.88 4.35 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 41 Q 7.79 4.26 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 42 R 8.47 4.85 0.00 1.87 1.81 0.00 3.24 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 43 L 8.52 5.28 0.00 1.52 1.49 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.81 5.12 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.10 0.94 0.00 0.00 45 F 8.90 5.06 0.00 2.98 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 3.15 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.67 4.65 0.00 2.05 1.82 0.00 1.99 0.00 0.00 1.77 0.00 0.00 3.22 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.58 7.81 49 Q 8.63 4.50 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 50 L 8.39 4.05 0.00 1.37 1.30 0.72 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.21 4.77 0.00 1.99 1.91 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 2.38 2.49 0.00 52 D 8.62 4.46 0.00 2.69 2.84 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 0.00 0.00 0.00 0.00 53 G 9.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.57 4.64 0.00 2.20 1.92 0.00 3.20 0.00 0.00 3.03 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 55 T 8.37 5.07 4.45 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 1.26 0.00 0.00 56 L 8.60 4.08 0.00 1.86 1.71 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.14 4.17 0.00 4.05 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 58 D 7.65 4.29 0.00 2.52 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 0.00 0.00 0.00 0.00 59 Y 7.86 4.63 0.00 3.23 3.14 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 60 N 8.03 4.49 0.00 3.05 3.00 0.00 0.00 6.93 7.53 0.00 0.00 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 7.09 3.42 1.81 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 -0.30 -0.11 0.56 0.00 0.00 62 Q 8.78 4.56 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 63 K 8.41 4.02 0.00 1.80 1.82 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.45 7.81 64 E 8.84 2.92 0.00 2.08 2.23 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 2.01 2.20 0.00 65 S 7.70 4.40 0.00 3.57 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 5.13 4.38 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 1.19 0.00 0.00 67 L 8.96 4.94 0.00 1.57 1.58 0.82 0.50 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 68 H 8.90 5.18 0.00 3.05 3.19 0.00 5.61 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.65 4.71 0.00 1.70 1.61 0.93 0.69 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 70 V 8.47 4.50 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 0.78 0.00 0.00 0.99 0.00 0.00 71 L 8.48 4.16 0.00 1.68 1.60 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.42 4.19 0.00 1.80 1.87 0.00 3.36 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 73 L 8.85 4.11 0.00 1.70 1.59 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.42 3.93 0.00 1.80 1.87 0.00 3.47 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 75 G 9.72 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.81 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.88 4.70 0.00 2.81 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00