NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5660 8.1476 120.2696 55.2227 34.2717 173.6548 2 Q 4.8021 8.4404 121.0479 52.5595 31.0360 173.0185 3 I 4.5795 8.8051 117.9507 58.7975 41.8625 175.3589 4 F 5.4936 9.0557 121.0557 55.6862 42.4028 174.8144 5 V 4.7964 8.7861 122.0707 61.0012 34.2697 174.1241 6 K 4.7129 9.1251 130.8533 56.0676 33.4650 176.4404 7 T 4.8142 8.6924 118.9496 59.9604 71.3307 175.2786 8 L 3.9190 8.7408 120.7938 58.2505 41.4702 178.6686 9 T 4.2217 7.8507 104.9725 61.5592 69.2834 175.3013 10 G 3.9866 8.2864 111.8687 44.9940 0.0000 174.1195 11 K 4.1271 7.6663 121.9540 56.8770 33.3282 175.7143 12 T 5.0494 8.4773 123.7477 62.4499 69.8919 174.1428 13 I 4.6022 9.0837 119.7279 59.6891 40.7567 174.3194 14 T 4.9020 8.4377 119.8617 62.1272 70.1846 173.9939 15 L 4.8282 8.5070 125.0959 52.7695 46.2774 175.1138 16 E 4.8672 8.6725 121.6481 54.8149 30.9041 175.2608 17 V 4.7276 8.4165 119.4667 59.7244 36.0499 174.8683 18 E 4.7784 8.6768 120.8049 53.9082 32.3729 175.8492 19 P 4.3120 0.0000 0.0000 64.6324 31.5172 177.6853 20 S 4.6677 7.6663 112.5713 57.8111 64.1864 174.0204 21 D 4.3490 8.2134 122.5333 54.7922 40.8097 176.9451 22 T 5.0264 8.3041 115.4970 61.1063 71.2792 175.2899 23 I 3.8767 8.1637 120.4341 64.0679 37.2222 178.1433 24 E 3.9718 8.2314 119.1878 59.4863 29.2755 178.9218 25 N 4.2716 7.7852 116.1734 56.2963 38.6557 177.4926 26 V 3.5513 7.4072 118.9846 66.1139 31.6476 178.1324 27 K 4.4962 8.4490 119.2508 58.8393 31.8646 179.0108 28 A 3.9842 8.5677 121.3401 55.3330 18.4249 179.8879 29 K 4.2034 7.9548 118.1206 59.1030 31.9741 179.7583 30 I 3.7694 7.8494 120.2775 64.2794 37.0079 177.6637 31 Q 4.0360 8.6912 120.6616 59.6612 28.4685 178.1685 32 D 4.4212 8.2312 119.3276 57.5575 40.7800 179.0823 33 K 4.1587 7.8182 117.8358 57.9082 32.4934 177.3351 34 E 4.5752 8.7918 118.0480 55.2521 31.3301 176.6590 35 G 3.9571 8.5391 106.2126 45.0632 0.0000 172.5284 36 I 4.3869 7.2775 119.8585 58.3456 39.0330 174.0206 37 P 4.4178 0.0000 0.0000 61.7772 32.2685 175.2639 38 P 4.2415 0.0000 0.0000 65.9327 31.2351 178.3574 39 D 4.5640 8.1388 114.5621 55.3125 39.1769 176.6154 40 Q 4.4552 7.7050 117.1588 56.0344 30.3309 175.5227 41 Q 4.3231 8.3894 119.4457 55.4950 30.2028 175.1063 42 R 4.9241 8.9463 122.9565 54.3056 33.2924 174.6849 43 L 5.2379 8.4845 123.0812 53.0261 44.6193 175.2218 44 I 4.9871 8.8580 124.6323 59.4491 40.4344 174.4378 45 F 5.0389 8.8694 128.2433 56.8513 42.7235 174.4017 46 A 3.4537 9.3821 128.2623 52.9927 15.8330 177.8394 47 G 3.9305 8.5239 106.5628 46.5933 0.0000 174.2410 48 K 4.5517 8.0336 119.7414 54.3447 34.4464 174.6938 49 Q 4.7346 8.4229 124.1224 54.8857 29.8518 175.1544 50 L 3.8555 8.5075 127.5059 54.6814 42.7030 176.3008 51 E 4.6675 8.8461 122.2600 54.5657 31.6581 175.6568 52 D 4.6280 8.7249 123.9910 55.6947 41.4278 175.6882 53 G 4.1082 9.5999 114.0286 46.3062 0.0000 174.4762 54 R 4.3383 7.9471 118.5744 55.4036 31.6497 174.9918 55 T 5.1398 9.1065 108.0659 59.6175 71.6537 175.0370 56 L 4.0200 8.4440 122.5164 58.0151 42.2248 180.1222 57 S 4.0509 8.3051 113.4880 61.4122 62.3870 175.9144 58 D 4.2535 7.7921 118.5498 56.8747 40.5160 176.9548 59 Y 4.4660 7.7449 113.7222 57.0420 38.9745 174.5392 60 N 4.1408 8.0753 117.2525 54.6034 37.4167 174.6907 61 I 3.6296 7.9313 119.2800 60.5888 36.8959 176.0938 62 Q 4.4893 8.1746 124.6359 53.1019 31.0260 174.8287 63 K 3.8444 8.3171 118.6722 58.4100 32.2396 175.7936 64 E 4.0436 9.1445 123.9182 56.9717 27.9321 174.8106 65 S 4.5353 7.8989 115.8161 59.3027 64.2533 173.3644 66 T 5.1432 8.7037 119.3910 62.1114 70.0245 173.9326 67 L 4.8461 9.3180 127.3654 54.0222 43.9888 175.3186 68 H 5.1504 9.4121 120.0258 54.0618 31.2421 173.2245 69 L 5.0311 8.6853 125.7695 53.8813 43.1887 175.9616 70 V 4.5724 8.6588 118.2288 60.1001 36.4451 175.0926 71 L 5.3850 8.2474 122.4039 53.6503 43.7734 175.7253 72 R 4.6283 8.4279 118.5566 55.2549 32.5905 175.6202 73 L 4.5742 8.0824 123.3637 52.7461 42.2568 175.6434 74 R 4.1608 8.2301 123.1430 55.8372 30.9776 177.3152 75 G 3.7268 8.3082 109.2235 46.0041 0.0000 172.4101 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 4.57 0.00 1.92 2.19 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 2 Q 8.44 4.80 0.00 1.84 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 3 I 8.81 4.58 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.69 0.84 0.00 0.00 4 F 9.06 5.49 0.00 3.07 2.91 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 5 V 8.79 4.80 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 0.96 0.00 0.00 0.94 0.00 0.00 6 K 9.13 4.71 0.00 1.81 1.68 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.38 7.81 7 T 8.69 4.81 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 1.23 0.00 0.00 8 L 8.74 3.92 0.00 1.64 1.81 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.85 4.22 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 8.29 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 11 K 7.67 4.13 0.00 1.85 1.70 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.43 7.81 12 T 8.48 5.05 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 1.30 0.00 0.00 13 I 9.08 4.60 1.90 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 0.72 0.94 0.00 0.00 14 T 8.44 4.90 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 1.04 0.00 0.00 15 L 8.51 4.83 0.00 1.49 1.46 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.67 4.87 0.00 1.88 1.80 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 2.15 2.32 0.00 17 V 8.42 4.73 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 0.69 0.00 0.00 0.91 0.00 0.00 18 E 8.68 4.78 0.00 1.88 1.80 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 2.20 2.38 0.00 19 P 0.00 4.31 0.00 2.15 2.07 0.00 3.53 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 20 S 7.67 4.67 0.00 3.81 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 21 D 8.21 4.35 0.00 2.79 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 5.03 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 1.21 0.00 0.00 23 I 8.16 3.88 2.04 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.50 0.97 0.00 0.00 24 E 8.23 3.97 0.00 2.05 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 2.48 0.00 25 N 7.79 4.27 0.00 2.93 2.85 0.00 0.00 6.64 7.45 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 26 V 7.41 3.55 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 1.00 0.00 0.00 0.97 0.00 0.00 27 K 8.45 4.50 0.00 1.99 1.89 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.52 7.81 28 A 8.57 3.98 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 29 K 7.95 4.20 0.00 1.87 1.86 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.46 7.81 30 I 7.85 3.77 2.15 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 1.41 0.88 0.92 0.00 0.00 31 Q 8.69 4.04 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 32 D 8.23 4.42 0.00 2.85 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 33 K 7.82 4.16 0.00 1.96 1.83 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.44 7.81 34 E 8.79 4.58 0.00 2.03 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 2.21 2.33 0.00 35 G 8.54 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 0.00 0.00 0.00 36 I 7.28 4.39 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 0.68 0.91 0.00 0.00 37 P 0.00 4.42 0.00 2.17 1.97 0.00 3.63 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 2.11 2.11 0.00 38 P 0.00 4.24 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.90 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 8.14 4.56 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 7.70 4.46 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 41 Q 8.39 4.32 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 42 R 8.95 4.92 0.00 1.89 1.80 0.00 3.09 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 43 L 8.48 5.24 0.00 1.50 1.53 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.86 4.99 1.90 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 0.69 0.95 0.00 0.00 45 F 8.87 5.04 0.00 2.96 2.76 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 0.00 0.00 0.00 0.00 46 A 9.38 3.45 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 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 48 K 8.03 4.55 0.00 1.98 1.73 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.23 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.36 7.81 49 Q 8.42 4.73 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 50 L 8.51 3.86 0.00 1.53 1.45 0.32 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.85 4.67 0.00 2.06 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 2.34 2.45 0.00 52 D 8.72 4.63 0.00 2.68 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 53 G 9.60 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 54 R 7.95 4.34 0.00 2.04 1.96 0.00 3.20 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.76 0.00 55 T 9.11 5.14 4.23 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 0.00 0.00 1.24 0.00 0.00 56 L 8.44 4.02 0.00 1.89 1.72 0.89 0.65 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 57 S 8.31 4.05 0.00 3.97 3.82 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 0.00 0.00 0.00 58 D 7.79 4.25 0.00 2.55 2.35 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 59 Y 7.74 4.47 0.00 2.93 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 60 N 8.08 4.14 0.00 2.94 3.08 0.00 0.00 7.17 7.47 0.00 0.00 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 7.93 3.63 1.84 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.20 0.63 0.00 0.00 62 Q 8.17 4.49 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.92 0.00 0.00 0.00 0.00 0.00 2.54 2.32 0.00 63 K 8.32 3.84 0.00 1.69 1.76 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.53 7.81 64 E 9.14 4.04 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 65 S 7.90 4.54 0.00 3.87 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 66 T 8.70 5.14 4.28 0.00 0.00 0.00 0.00 0.00 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 9.32 4.85 0.00 1.61 1.59 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.41 5.15 0.00 3.19 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.69 5.03 0.00 1.64 1.72 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.66 4.57 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 0.67 0.00 0.00 0.97 0.00 0.00 71 L 8.25 5.38 0.00 1.61 1.60 0.92 0.89 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 72 R 8.43 4.63 0.00 1.76 1.80 0.00 3.15 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 73 L 8.08 4.57 0.00 1.53 1.55 0.92 0.95 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 74 R 8.23 4.16 0.00 1.84 1.85 0.00 3.23 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 75 G 8.31 3.73 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 0.00 0.00 0.00