NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.1666 8.1801 122.4905 54.7852 43.9224 176.4658 2 A 4.1975 7.7253 120.4952 50.3021 19.4748 175.8144 3 A 4.1531 9.4035 127.9410 54.6775 19.7491 175.7964 4 V 4.5959 7.1899 106.6558 60.3741 35.8032 173.6990 5 S 4.5038 7.9798 114.1858 58.0145 65.1781 173.7116 6 V 4.4928 7.8376 112.9989 59.5645 35.3379 175.1130 7 D 4.6229 8.6277 120.8866 54.0749 40.5157 176.0537 8 C 4.8872 8.5888 124.1463 56.8015 40.4437 176.2174 9 S 4.0187 8.5197 116.7581 60.5685 62.6426 174.6679 10 E 4.5798 8.2600 119.7112 56.3259 29.7865 175.0814 11 Y 4.3776 7.5612 116.9351 55.5857 39.9573 173.7640 12 P 4.9611 0.0000 0.0000 62.2723 31.4204 175.6845 13 K 4.5476 8.3304 118.1433 53.7903 35.0727 175.9246 14 P 4.4000 0.0000 0.0000 64.5520 31.6171 176.1417 15 A 4.8542 7.2458 118.7551 50.5669 21.9150 174.6645 16 C 4.9138 8.4878 117.2287 54.5996 44.2831 172.6559 17 P 4.4926 0.0000 0.0000 62.4770 31.4631 176.1167 18 K 4.2592 8.4519 115.9803 57.0128 31.6598 176.4368 19 D 4.4278 8.0615 116.8001 54.8573 41.1559 175.7680 20 Y 4.4352 8.4811 123.3821 57.1036 38.7853 176.0609 21 R 4.6267 8.3796 128.4618 53.8540 31.9655 172.8738 22 P 4.7329 0.0000 0.0000 63.1171 33.1855 176.9595 23 V 4.8660 8.6383 113.7486 58.8051 36.7112 173.4342 24 C 5.1715 8.6314 124.1997 54.6775 45.0858 173.7902 25 G 4.5288 9.2344 114.6385 45.8097 0.0000 174.3224 26 S 4.2955 9.2617 115.4603 60.3056 62.9612 174.8820 27 D 4.6014 8.1438 119.2031 53.0297 39.5920 176.1003 28 N 4.2926 8.3074 116.1809 54.2552 36.5828 173.6217 29 K 4.2971 8.0801 119.2227 55.0114 33.6327 175.7975 30 T 4.6141 8.0509 122.1226 62.6666 68.5520 173.9361 31 Y 4.3566 8.5887 125.8651 56.6561 39.1491 177.5710 32 S 4.2085 8.8373 119.1106 61.0219 63.8635 173.1397 33 N 5.2508 7.5103 118.5290 51.8619 40.5901 174.7840 34 K 4.0386 8.4651 120.1364 59.7145 32.1317 179.1223 35 C 4.5716 8.2028 119.8951 59.0871 41.9311 175.0412 36 N 4.3344 8.5503 118.2221 56.2512 38.1841 177.1465 37 F 3.3788 8.0823 121.5972 61.4161 39.4902 176.6444 38 C 3.8695 8.1812 116.4104 59.7268 34.8977 175.9105 39 N 4.2468 8.1145 118.0971 55.9800 38.0463 177.3207 40 A 3.8274 7.6124 122.3867 54.9546 18.4128 179.7672 41 V 3.1721 7.4561 116.9877 66.1574 31.4640 178.7594 42 V 3.5922 7.5719 112.0768 64.4240 31.1694 178.4631 43 E 3.9808 8.5844 117.9210 58.8287 29.1538 178.5758 44 S 4.3486 8.2319 112.5907 57.5058 63.9360 173.5221 45 N 3.8676 9.0319 119.2393 54.7619 36.1224 175.1878 46 G 3.9253 8.2708 104.0708 45.6996 0.0000 174.8743 47 T 3.9468 7.3451 109.9733 63.8992 69.0795 175.0737 48 L 4.1802 7.5978 124.2107 54.7003 42.8337 175.4141 49 T 4.8447 8.4636 114.5747 59.6074 73.0699 172.5019 50 L 4.1832 8.4577 123.9778 54.4162 41.7220 175.8306 51 N 4.5782 8.6643 126.3797 56.4429 39.2079 174.3704 52 H 4.7814 7.4002 111.7442 53.9620 32.2447 172.3741 53 F 4.2748 8.4555 117.8503 58.6509 39.1260 176.3989 54 G 4.0227 8.7428 110.1479 44.3470 0.0000 172.9368 55 K 4.0464 8.2737 117.3630 56.9830 32.8677 177.6865 56 C 4.5023 8.5924 117.3990 57.5124 41.0225 173.6663 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 L 8.18 4.17 0.00 1.60 1.75 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 2 A 7.73 4.20 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 3 A 9.40 4.15 1.29 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 0.00 0.00 0.00 4 V 7.19 4.60 1.97 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 0.86 0.00 0.00 0.73 0.00 0.00 5 S 7.98 4.50 0.00 3.94 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 6 V 7.84 4.49 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 0.80 0.00 0.00 1.02 0.00 0.00 7 D 8.63 4.62 0.00 2.66 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 8 C 8.59 4.89 0.00 2.97 2.92 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 9 S 8.52 4.02 0.00 4.02 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 10 E 8.26 4.58 0.00 1.80 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 2.21 2.31 0.00 11 Y 7.56 4.38 0.00 3.22 2.88 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 12 P 0.00 4.96 0.00 2.21 2.09 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 13 K 8.33 4.55 0.00 1.71 1.57 0.00 0.97 0.00 0.00 1.59 0.00 0.00 2.59 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.06 0.44 7.81 14 P 0.00 4.40 0.00 2.18 2.19 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 15 A 7.25 4.85 1.22 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 0.00 0.00 16 C 8.49 4.91 0.00 2.99 3.03 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 17 P 0.00 4.49 0.00 2.21 2.11 0.00 3.82 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 18 K 8.45 4.26 0.00 1.76 1.86 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.47 7.81 19 D 8.06 4.43 0.00 2.74 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 20 Y 8.48 4.44 0.00 3.00 3.05 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 21 R 8.38 4.63 0.00 1.63 1.71 0.00 3.17 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 22 P 0.00 4.73 0.00 2.06 2.09 0.00 3.37 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.71 0.00 23 V 8.64 4.87 1.64 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 0.79 0.00 0.00 0.70 0.00 0.00 24 C 8.63 5.17 0.00 3.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 9.23 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 9.26 4.30 0.00 3.96 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 27 D 8.14 4.60 0.00 2.86 2.88 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 28 N 8.31 4.29 0.00 2.91 2.99 0.00 0.00 6.76 8.15 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 29 K 8.08 4.30 0.00 1.70 1.78 0.00 1.15 0.00 0.00 1.05 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.38 1.05 7.81 30 T 8.05 4.61 4.20 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 1.26 0.00 0.00 31 Y 8.59 4.36 0.00 3.26 3.01 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 0.00 0.00 0.00 32 S 8.84 4.21 0.00 4.19 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 0.00 33 N 7.51 5.25 0.00 2.98 3.06 0.00 0.00 6.37 6.43 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 34 K 8.47 4.04 0.00 1.90 1.91 0.00 1.80 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.53 1.56 7.81 35 C 8.20 4.57 0.00 3.20 3.35 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 36 N 8.55 4.33 0.00 3.05 3.06 0.00 0.00 6.66 8.29 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 37 F 8.08 3.38 0.00 3.00 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 38 C 8.18 3.87 0.00 1.63 1.68 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 39 N 8.11 4.25 0.00 2.77 2.87 0.00 0.00 6.83 7.06 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 40 A 7.61 3.83 0.97 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 0.00 0.00 41 V 7.46 3.17 1.81 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 0.87 0.00 0.00 -0.04 0.00 0.00 42 V 7.57 3.59 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 0.80 0.00 0.00 0.98 0.00 0.00 43 E 8.58 3.98 0.00 1.89 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 2.33 2.46 0.00 44 S 8.23 4.35 0.00 4.00 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 45 N 9.03 3.87 0.00 2.85 2.89 0.00 0.00 7.01 7.21 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 46 G 8.27 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 47 T 7.35 3.95 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 1.19 0.00 0.00 48 L 7.60 4.18 0.00 1.52 1.35 1.05 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.46 4.84 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 1.21 0.00 0.00 50 L 8.46 4.18 0.00 1.29 1.40 0.15 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.66 4.58 0.00 2.78 2.89 0.00 0.00 7.03 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 52 H 7.40 4.78 0.00 3.22 3.30 0.00 5.71 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.46 4.27 0.00 3.10 2.95 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 0.00 0.00 0.00 54 G 8.74 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 55 K 8.27 4.05 0.00 1.91 1.89 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.51 7.81 56 C 8.59 4.50 0.00 3.00 3.05 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