NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3003 8.2549 117.2811 55.7008 30.7939 174.8902 2 V 3.6277 8.2920 114.5869 59.2742 32.1790 174.4633 3 G 4.3237 8.2803 119.2878 45.3112 0.0000 171.8538 4 L 4.6800 7.7149 121.1160 52.2685 42.5053 177.4125 5 T 4.1132 9.0657 121.1023 62.8248 70.5129 174.7357 6 E 3.9522 8.8237 122.6388 60.0583 29.4033 179.6680 7 E 3.9671 8.2234 117.5701 59.6935 29.5818 179.3635 8 Q 4.1536 8.0505 117.2889 58.9423 28.7853 178.8128 9 K 4.0463 8.3456 119.6674 59.5508 32.0832 179.2518 10 Q 4.0200 8.6176 118.5108 59.0997 28.6958 178.6329 11 E 3.9682 8.4731 119.7295 59.7237 29.5870 179.5032 12 I 3.9482 8.2921 119.8902 64.5442 37.1356 178.4168 13 R 4.0607 8.6105 119.6893 59.5332 29.8771 178.1679 14 E 3.8891 8.6198 118.4829 59.4678 29.5199 179.1226 15 A 3.5087 8.3454 120.8950 55.0323 18.3840 179.0940 16 F 3.3555 8.6225 119.3018 61.5121 39.1677 176.8864 17 D 4.1444 8.1007 117.0426 57.2570 40.7586 178.3061 18 L 3.9795 7.6773 119.3726 58.4376 42.1420 178.7405 19 F 4.5418 7.9089 116.4463 60.1431 40.2263 176.7122 20 D 4.6027 8.0690 119.4703 53.4213 37.0605 176.7419 21 T 3.7967 7.6075 112.2481 64.9502 69.2911 175.8367 22 D 4.2738 8.7302 121.0363 54.9203 41.2986 176.2034 23 G 3.9288 8.2441 107.0260 46.4321 0.0000 175.2147 24 S 4.1175 8.3510 116.3774 59.3917 63.2678 175.1427 25 G 4.1520 9.5484 109.7998 44.8850 0.0000 173.2991 26 T 5.1062 7.2073 107.9314 59.9195 72.3264 173.7278 27 I 4.0403 8.8355 125.6611 60.6994 38.1500 175.1717 28 D 4.6594 9.5556 128.0817 54.0368 42.0823 176.9032 29 A 3.9821 8.9032 127.2267 55.5424 18.2764 180.5086 30 K 3.8702 8.7292 117.0139 59.7820 32.1652 179.4288 31 E 3.8824 8.0794 118.2504 59.2006 29.3708 179.0238 32 L 3.7557 8.1319 120.7862 57.8006 42.0859 178.8015 33 K 3.7912 8.3083 119.9973 59.5376 32.0968 178.6320 34 V 3.4680 7.9519 118.4514 65.9790 31.3548 177.5592 35 A 3.2658 7.9110 120.5866 55.4085 17.9064 179.5406 36 M 3.3119 8.0596 117.2754 58.2617 31.8736 179.2290 37 R 3.8854 8.2599 118.4056 59.2301 30.0282 178.8678 38 A 4.0455 7.9829 119.7791 55.0912 18.4857 179.0087 39 L 4.1716 7.8039 114.9287 54.9883 41.5416 177.7411 40 G 3.9203 8.0818 107.5178 46.3217 0.0000 174.1744 41 F 4.6665 8.3695 118.4650 56.7612 39.6343 175.5347 42 E 4.5260 8.3133 123.0787 53.2523 29.2985 173.1535 43 P 4.3669 0.0000 0.0000 62.7334 32.2187 176.9681 44 K 4.5459 8.3577 120.5248 53.5788 35.7700 176.9124 45 K 3.8962 8.8598 125.1537 60.3590 32.1737 178.3690 46 E 3.9105 8.1193 118.8047 58.7307 29.5232 178.5628 47 E 3.9263 8.3869 120.4496 58.8834 29.5694 179.2219 48 I 3.6812 8.0454 119.9995 64.3948 37.2019 178.1355 49 K 3.8385 8.4026 120.4697 59.4796 31.9337 178.5769 50 K 3.8794 8.2984 119.8970 59.6781 32.1463 178.1125 51 M 4.1399 8.3579 118.7898 58.9124 32.1637 177.8796 52 I 3.7317 8.1569 120.3779 64.6017 37.1289 178.3826 53 S 4.1348 8.2114 113.6706 61.5792 62.7800 175.9912 54 E 4.1095 8.1926 121.3913 59.2980 29.3455 179.2715 55 I 3.9496 7.7416 118.3899 63.4589 38.5515 177.3225 56 D 4.8242 8.2960 120.3966 52.9808 37.8181 175.7064 57 K 4.2018 7.9271 122.4258 58.7332 33.1810 178.1523 58 D 4.7119 9.3380 115.2789 53.6612 41.9471 177.4836 59 G 4.0722 8.3133 107.0834 45.9950 0.0000 172.5635 60 S 3.9895 8.8980 113.3617 58.8289 60.5265 172.0559 61 G 4.0294 9.7404 110.6005 44.7094 0.0000 171.2868 62 T 5.1096 7.6680 108.9800 59.9225 72.5501 173.3091 63 I 4.9292 8.5874 122.8275 59.4629 39.7798 175.4323 64 D 4.9355 9.8075 127.7680 53.8576 42.4192 176.7499 65 F 2.7495 8.9183 124.0277 61.3487 39.0181 177.3439 66 E 3.5760 8.6178 118.0691 59.1658 29.1112 179.2387 67 E 3.9125 8.0169 118.1131 59.3292 29.6276 178.9131 68 F 4.1905 8.6291 121.0411 61.2176 39.5043 176.6584 69 L 3.6892 8.0841 120.1781 58.4460 41.6643 178.9624 70 T 3.7081 8.0076 115.7889 66.8322 68.3978 175.8515 71 M 3.9056 8.0947 120.1497 59.2400 32.1873 178.1750 72 M 3.9300 8.0335 118.8127 58.5334 31.8137 178.8484 73 T 3.7895 8.1129 115.0363 66.5111 68.7050 176.2561 74 A 4.0860 7.9142 121.3878 55.2773 18.5856 179.5272 75 K 4.0030 8.3078 115.8155 57.9018 32.3995 177.2817 76 M 3.5889 8.2016 122.7910 55.8530 32.7557 176.4467 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 R 8.25 4.30 0.00 1.91 2.00 0.00 3.05 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 2 V 8.29 3.63 2.07 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 0.65 0.00 0.00 0.92 0.00 0.00 3 G 8.28 4.32 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 0.00 0.00 0.00 4 L 7.71 4.68 0.00 1.59 1.61 0.88 0.87 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 5 T 9.07 4.11 4.33 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 1.24 0.00 0.00 6 E 8.82 3.95 0.00 2.01 2.05 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 2.43 2.45 0.00 7 E 8.22 3.97 0.00 2.06 2.02 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 2.41 2.48 0.00 8 Q 8.05 4.15 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.25 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 9 K 8.35 4.05 0.00 2.00 1.96 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.67 7.81 10 Q 8.62 4.02 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 11 E 8.47 3.97 0.00 2.20 2.05 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 2.35 2.54 0.00 12 I 8.29 3.95 2.25 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 1.45 0.70 1.16 0.00 0.00 13 R 8.61 4.06 0.00 2.04 2.07 0.00 3.28 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.43 0.00 14 E 8.62 3.89 0.00 2.12 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 2.51 2.47 0.00 15 A 8.35 3.51 1.28 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 0.00 0.00 0.00 16 F 8.62 3.36 0.00 3.13 3.36 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 17 D 8.10 4.14 0.00 2.77 2.65 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 18 L 7.68 3.98 0.00 1.43 1.49 0.83 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.91 4.54 0.00 2.83 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.60 0.00 2.07 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 0.00 0.00 0.00 0.00 21 T 7.61 3.80 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 1.30 0.00 0.00 22 D 8.73 4.27 0.00 2.57 2.70 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 23 G 8.24 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 24 S 8.35 4.12 0.00 3.99 4.07 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 25 G 9.55 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 0.00 0.00 0.00 26 T 7.21 5.11 4.35 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 1.33 0.00 0.00 27 I 8.84 4.04 1.88 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.35 0.83 0.00 0.00 28 D 9.56 4.66 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.90 3.98 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 30 K 8.73 3.87 0.00 1.84 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.57 7.81 31 E 8.08 3.88 0.00 2.09 2.07 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 2.35 2.32 0.00 32 L 8.13 3.76 0.00 1.72 1.77 1.05 0.51 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 33 K 8.31 3.79 0.00 1.77 1.95 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.59 7.81 34 V 7.95 3.47 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 35 A 7.91 3.27 -0.05 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 36 M 8.06 3.31 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.30 0.00 37 R 8.26 3.89 0.00 1.91 1.96 0.00 3.31 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 38 A 7.98 4.05 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 39 L 7.80 4.17 0.00 0.62 1.16 0.54 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.08 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.37 4.67 0.00 2.98 2.90 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 42 E 8.31 4.53 0.00 1.91 1.86 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 2.19 2.30 0.00 43 P 0.00 4.37 0.00 2.10 2.02 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 44 K 8.36 4.55 0.00 1.75 1.74 0.00 1.82 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.66 7.81 45 K 8.86 3.90 0.00 1.97 2.12 0.00 1.51 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.55 7.81 46 E 8.12 3.91 0.00 2.18 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 0.00 2.36 2.35 0.00 47 E 8.39 3.93 0.00 2.16 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 2.32 2.35 0.00 48 I 8.05 3.68 2.09 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 1.52 0.86 0.93 0.00 0.00 49 K 8.40 3.84 0.00 1.88 1.96 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 50 K 8.30 3.88 0.00 1.99 1.79 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.59 7.81 51 M 8.36 4.14 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.76 0.00 52 I 8.16 3.73 2.12 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 1.61 0.52 0.94 0.00 0.00 53 S 8.21 4.13 0.00 3.99 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.19 4.11 0.00 2.12 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 2.35 2.53 0.00 55 I 7.74 3.95 1.91 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 1.63 0.76 1.00 0.00 0.00 56 D 8.30 4.82 0.00 2.71 2.67 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 57 K 7.93 4.20 0.00 1.79 1.86 0.00 1.82 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.37 7.81 58 D 9.34 4.71 0.00 2.71 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 59 G 8.31 4.07 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 0.00 0.00 0.00 60 S 8.90 3.99 0.00 4.05 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 61 G 9.74 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.67 5.11 4.35 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 1.23 0.00 0.00 63 I 8.59 4.93 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.21 1.17 0.00 0.00 64 D 9.81 4.94 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.92 2.75 0.00 2.22 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 66 E 8.62 3.58 0.00 2.02 1.87 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 2.40 2.47 0.00 67 E 8.02 3.91 0.00 2.24 2.16 0.00 0.00 0.00 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 2.38 0.00 68 F 8.63 4.19 0.00 3.30 3.19 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 0.00 0.00 0.00 0.00 69 L 8.08 3.69 0.00 1.00 1.42 0.81 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.01 3.71 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 1.17 0.00 0.00 71 M 8.09 3.91 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 72 M 8.03 3.93 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.94 0.00 73 T 8.11 3.79 4.32 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 1.17 0.00 0.00 74 A 7.91 4.09 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 75 K 8.31 4.00 0.00 1.69 1.90 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.63 1.64 7.81 76 M 8.20 3.59 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.44 0.00