NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6766 8.3344 116.7947 58.6185 64.0411 173.1465 2 N 4.1369 10.1140 125.8166 55.3972 39.1426 173.8168 3 A 4.6539 8.5872 125.4024 50.1582 22.0963 173.0373 4 M 5.3955 8.4215 117.9520 54.3610 32.9822 175.4873 5 E 4.6613 8.7015 122.6920 54.5396 32.6745 175.1312 6 Q 4.7930 8.7031 123.3542 55.0818 29.3767 174.8201 7 L 4.7628 9.1198 125.2373 53.0229 44.7434 175.9638 8 T 4.8307 8.5218 119.7477 61.9565 70.5040 173.4686 9 L 4.7135 8.8453 128.1428 53.0220 43.9737 176.0991 10 Q 4.5767 8.6201 122.3610 55.8311 30.3803 174.8195 11 V 4.5978 9.1951 124.1391 61.1942 33.9513 174.5029 12 E 4.5330 10.7800 129.0747 56.8311 30.5116 176.4261 13 G 4.2241 8.5521 123.7820 46.0711 0.0000 172.3661 14 M 4.4583 7.5413 121.2621 54.3589 30.6997 175.4918 15 S 4.6151 8.3531 118.3907 58.4937 64.4281 174.0401 16 C 5.0174 7.6701 117.0586 57.0045 31.9469 175.1102 17 G 3.6263 8.5909 107.9110 48.0810 0.0000 175.7731 18 H 4.3636 8.2930 116.7088 58.4709 28.5402 177.3561 19 C 4.2492 7.5846 121.2150 62.0937 27.8187 175.5255 20 V 3.4530 7.5159 119.4398 66.4665 31.0095 177.5770 21 N 4.8426 8.3626 116.8227 56.1201 38.8085 176.3953 22 A 3.9809 8.0473 122.1558 55.4513 18.5634 179.5149 23 I 3.6591 8.3783 117.2825 63.8563 38.1595 177.9532 24 E 3.9253 8.3226 118.7758 59.7333 29.2602 179.4789 25 S 4.1826 8.1300 116.1875 61.1131 62.6618 176.5501 26 S 3.8866 8.0931 117.5814 61.5545 62.8211 176.7609 27 V 3.7878 7.8231 120.5967 65.6688 31.2598 177.9289 28 K 3.8912 8.1301 118.3529 59.6939 32.1038 177.7964 29 E 4.0483 8.8702 118.5192 58.7927 29.8820 177.4061 30 L 4.0559 7.7871 120.4287 54.0514 41.8464 176.0180 31 N 4.4851 8.6940 123.2672 54.5165 39.4645 173.8872 32 G 4.0157 8.9938 113.7935 45.8730 0.0000 173.6777 33 V 4.0069 7.4867 120.2659 62.5948 31.5917 174.5370 34 E 4.3537 8.5973 129.9859 57.5792 29.3799 175.5139 35 Q 4.7359 7.7158 116.6837 54.1470 33.8848 173.7748 36 V 4.7261 8.3623 114.1273 59.6839 35.2459 175.7924 37 K 4.4835 9.3559 125.6996 54.5249 33.2686 174.6372 38 V 4.1637 8.1291 124.1499 60.9238 32.5148 176.3866 39 Q 4.3136 9.1513 127.1424 53.9322 27.1806 176.4863 40 L 3.8144 8.5342 126.2528 57.9546 42.3998 179.3859 41 A 4.2812 7.9139 119.1414 54.4504 18.5864 177.9592 42 E 4.1937 7.4898 112.7392 56.5476 30.2665 177.1377 43 G 3.8905 8.6675 107.0522 46.0931 0.0000 172.6110 44 T 5.0326 7.5960 107.7144 59.4575 72.9612 172.6897 45 V 4.7147 9.0273 123.4252 61.2505 34.4099 174.0791 46 E 4.8687 9.2909 131.2143 55.2117 30.6820 174.7407 47 V 4.7647 9.2469 128.4133 61.3670 34.7511 174.4808 48 T 5.0426 8.9812 125.3806 62.4222 69.6524 173.6709 49 I 4.7132 8.5093 120.7227 58.8880 41.1232 174.7883 50 D 5.0997 9.1622 125.1876 53.3810 41.1966 176.5735 51 S 5.0794 8.8465 119.6604 58.7860 62.4446 174.4104 52 S 4.5198 8.1023 112.4145 59.2703 62.3657 173.3165 53 V 4.2363 7.3482 116.2397 64.2376 33.4424 175.0971 54 V 4.3082 7.9811 119.6226 60.3067 33.0637 175.5451 55 T 4.7014 7.9388 112.4813 60.4949 72.0456 175.9163 56 L 4.0065 8.1862 120.7803 57.6137 41.5664 179.6308 57 K 3.9437 7.9798 119.2383 59.4657 32.2226 178.1916 58 D 4.3837 8.2760 119.3624 57.5928 40.8024 178.8419 59 I 3.6512 7.3976 119.6062 64.4899 37.1040 178.5658 60 V 3.5602 7.8150 118.4350 65.9710 31.4024 177.6891 61 A 3.9906 8.6457 120.9200 55.3582 18.3093 179.8427 62 V 3.5459 7.8113 116.5300 66.0993 31.7489 178.1833 63 I 3.8308 7.8152 119.5357 64.7488 36.9770 178.3889 64 E 4.9985 8.6006 120.9790 59.0358 29.0160 178.8894 65 D 4.3190 7.9770 117.5391 57.2251 41.3633 177.7313 66 Q 4.1990 7.7592 116.5259 56.3231 28.9935 176.4430 67 G 3.9339 8.1494 109.3826 45.8094 0.0000 173.0807 68 Y 5.0068 7.5606 114.4799 55.7713 42.6014 174.6548 69 D 5.0172 9.5114 122.7132 52.9747 42.8142 175.4415 70 V 5.4129 8.0948 118.7756 58.6419 35.0779 176.1000 71 Q 4.3279 8.6079 121.4623 56.0486 28.6524 175.5702 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 S 8.33 4.68 0.00 3.87 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 2 N 10.11 4.14 0.00 2.68 2.83 0.00 0.00 6.97 7.09 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 3 A 8.59 4.65 1.21 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 0.00 0.00 0.00 4 M 8.42 5.40 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 5 E 8.70 4.66 0.00 1.89 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 2.30 2.25 0.00 6 Q 8.70 4.79 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 7 L 9.12 4.76 0.00 1.51 1.53 0.92 0.56 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 8 T 8.52 4.83 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 1.20 0.00 0.00 9 L 8.85 4.71 0.00 1.56 1.56 0.91 0.74 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 10 Q 8.62 4.58 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 11 V 9.20 4.60 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 0.73 0.00 0.00 0.89 0.00 0.00 12 E 10.78 4.53 0.00 2.04 1.90 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 2.26 2.40 0.00 13 G 8.55 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 0.00 0.00 0.00 0.00 14 M 7.54 4.46 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 15 S 8.35 4.62 0.00 3.88 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 16 C 7.67 5.02 0.00 2.94 2.87 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 17 G 8.59 3.63 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 0.00 0.00 0.00 18 H 8.29 4.36 0.00 3.45 3.60 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 C 7.58 4.25 0.00 3.10 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 20 V 7.52 3.45 2.22 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 1.07 0.00 0.00 0.93 0.00 0.00 21 N 8.36 4.84 0.00 2.88 2.82 0.00 0.00 7.60 8.48 0.00 0.00 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 A 8.05 3.98 1.53 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 23 I 8.38 3.66 1.15 0.00 0.00 0.37 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 1.14 0.77 0.00 0.00 24 E 8.32 3.93 0.00 2.20 2.22 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 2.49 2.35 0.00 25 S 8.13 4.18 0.00 3.93 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 26 S 8.09 3.89 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.82 3.79 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 0.98 0.00 0.00 1.00 0.00 0.00 28 K 8.13 3.89 0.00 1.94 1.83 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.63 7.81 29 E 8.87 4.05 0.00 1.96 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 2.35 2.41 0.00 30 L 7.79 4.06 0.00 1.84 1.61 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.69 4.49 0.00 2.68 2.74 0.00 0.00 7.40 7.98 0.00 0.00 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 G 8.99 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 33 V 7.49 4.01 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 0.74 0.00 0.00 0.99 0.00 0.00 34 E 8.60 4.35 0.00 1.95 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 2.27 2.32 0.00 35 Q 7.72 4.74 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 36 V 8.36 4.73 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 0.75 0.00 0.00 0.98 0.00 0.00 37 K 9.36 4.48 0.00 1.67 1.71 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.42 7.81 38 V 8.13 4.16 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 0.68 0.00 0.00 0.84 0.00 0.00 39 Q 9.15 4.31 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 40 L 8.53 3.81 0.00 1.61 1.65 0.92 1.10 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 41 A 7.91 4.28 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 42 E 7.49 4.19 0.00 1.92 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 2.28 2.38 0.00 43 G 8.67 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 44 T 7.60 5.03 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 1.20 0.00 0.00 45 V 9.03 4.71 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 0.92 0.00 0.00 0.82 0.00 0.00 46 E 9.29 4.87 0.00 2.02 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 0.00 2.24 2.23 0.00 47 V 9.25 4.76 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 0.83 0.00 0.00 0.96 0.00 0.00 48 T 8.98 5.04 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 1.27 0.00 0.00 49 I 8.51 4.71 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 1.11 1.29 0.91 0.00 0.00 50 D 9.16 5.10 0.00 2.77 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.85 5.08 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 52 S 8.10 4.52 0.00 3.86 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.35 4.24 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 0.98 0.00 0.00 54 V 7.98 4.31 2.33 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 0.84 0.00 0.00 0.93 0.00 0.00 55 T 7.94 4.70 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 56 L 8.19 4.01 0.00 1.76 1.75 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.98 3.94 0.00 1.79 1.80 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.48 7.81 58 D 8.28 4.38 0.00 2.99 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 59 I 7.40 3.65 2.04 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 1.71 1.08 0.91 0.00 0.00 60 V 7.81 3.56 2.20 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 1.23 0.00 0.00 1.01 0.00 0.00 61 A 8.65 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.81 3.55 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 1.06 0.00 0.00 1.01 0.00 0.00 63 I 7.82 3.83 2.06 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.93 0.99 0.00 0.00 64 E 8.60 5.00 0.00 2.01 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 2.53 2.45 0.00 65 D 7.98 4.32 0.00 2.80 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 66 Q 7.76 4.20 0.00 2.47 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.13 0.00 0.00 0.00 0.00 0.00 2.74 2.64 0.00 67 G 8.15 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 68 Y 7.56 5.01 0.00 3.01 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 69 D 9.51 5.02 0.00 2.77 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 70 V 8.09 5.41 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 1.16 0.00 0.00 0.96 0.00 0.00 71 Q 8.61 4.33 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00