NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.7105 8.3493 120.3232 52.5163 41.9179 175.5495 3 V 4.2682 7.1901 116.7791 59.2567 34.6544 175.5099 4 Y 4.2401 8.2519 119.2500 60.4318 38.5645 178.1133 5 C 4.3867 8.3622 119.5367 59.5870 44.9467 174.8851 6 E 3.8844 8.1489 120.4868 59.3896 29.2807 178.8596 7 V 3.6575 7.6429 118.4326 65.9698 31.6266 177.1717 8 C 4.3435 8.2965 118.2910 59.7626 40.1985 175.4641 9 E 3.9432 8.5145 120.3258 59.3244 29.0822 178.8176 10 F 4.1351 8.4460 120.8064 61.5153 39.3200 177.2653 11 L 3.7148 8.0198 118.2480 57.7492 41.4479 179.4783 12 V 3.5341 7.8005 118.1261 66.1111 31.4625 178.1763 13 K 3.9047 7.9241 118.0008 59.4123 31.7681 179.2351 14 E 3.7478 7.6549 118.7933 59.1721 29.3599 179.3880 15 V 3.5128 7.7494 118.3144 66.3695 31.4453 177.9048 16 T 3.8486 7.8918 115.3137 66.8720 68.1145 176.6281 17 K 3.9565 7.6465 118.4583 59.2044 32.1062 178.8245 18 L 4.0784 7.9278 120.3285 57.9352 42.1819 178.4948 19 I 4.1422 7.5224 109.9125 61.3677 39.4095 176.7674 20 D 4.7284 7.4504 122.0185 52.4893 38.2971 173.4491 21 N 5.0826 7.2645 120.2216 49.6381 41.5385 175.8664 22 N 4.3405 8.6490 115.7144 56.6088 38.8284 176.7256 23 K 3.9488 8.1434 119.6598 59.5985 32.1627 179.2976 24 T 3.8100 8.0287 115.6376 66.4837 68.3560 176.3316 25 E 3.8590 7.9731 120.9829 59.2760 29.8229 178.4866 26 K 3.7804 8.1082 119.6141 59.8265 31.9362 178.2165 27 E 3.9229 7.7475 117.7083 59.0586 29.8035 178.6981 28 I 3.5688 7.6117 119.9098 64.2767 37.3306 178.0980 29 L 3.9753 7.8798 120.0147 58.1944 41.2904 179.3072 30 D 4.5414 7.8616 116.1129 56.0464 41.0803 177.4703 31 A 4.4679 7.6055 120.4498 52.6892 19.7432 178.7094 32 F 4.4980 7.5439 115.5638 60.8308 39.0417 177.2514 33 D 4.4168 8.2340 117.9055 57.5598 40.5386 178.8114 34 K 4.0446 8.0035 117.8328 59.4348 32.0632 178.4047 35 M 4.2512 8.0887 119.2499 58.7733 31.8563 178.1497 36 C 4.4575 8.4053 116.4663 60.0202 40.0782 176.3792 37 S 4.0693 7.8817 116.0866 60.8224 62.3567 175.6330 38 K 4.3786 7.4097 118.5066 56.0006 32.9448 176.0239 39 L 4.7149 6.8711 121.1453 52.4708 44.3121 174.1786 40 P 4.2775 0.0000 0.0000 62.7727 32.0160 177.6479 41 K 3.9881 8.7290 120.6800 59.1990 32.1519 178.9642 42 S 4.2717 8.0090 111.5974 59.6004 63.7938 175.0587 43 L 4.6978 7.8568 120.4503 54.5189 42.0425 177.9756 44 S 4.1000 7.5744 116.2625 61.7495 62.7752 175.9444 45 E 3.9259 8.1717 121.1975 59.5054 29.4615 178.6939 46 E 3.9597 8.1925 116.8359 59.3318 29.4696 179.5441 47 C 4.1887 7.9824 119.1724 59.8158 40.8355 175.3595 48 Q 3.9112 8.0750 119.6235 59.0786 26.7498 178.7553 49 E 3.9513 8.5175 120.5880 59.1246 29.6686 179.1529 50 V 3.8148 7.8460 118.3661 65.9885 31.6706 178.1206 51 V 3.2295 8.1681 118.3131 65.8059 31.0067 176.7353 52 D 4.5612 8.0748 116.0691 54.5645 40.7284 176.7867 53 T 4.1810 7.0773 116.0607 64.5886 70.9170 174.5267 54 Y 4.7161 8.3678 115.8364 57.0014 40.0026 177.4895 55 G 3.5664 8.1796 110.6366 48.6908 0.0000 175.7951 56 S 4.6132 8.1019 112.1812 59.4249 63.7399 175.0462 57 S 4.7430 8.1800 115.9042 58.2246 63.2504 175.8349 58 I 3.7539 7.5737 123.6616 64.5789 36.9117 177.7395 59 L 3.9728 8.0097 120.9353 58.2162 41.8787 179.0790 60 S 4.1241 8.0130 113.6039 61.4938 62.8781 176.0505 61 I 3.7007 7.6381 123.5535 64.0699 36.6819 178.3950 62 L 4.0283 8.0247 119.3997 58.7241 40.5825 179.0402 63 L 4.1224 8.1242 119.9021 57.6717 41.4073 179.2336 64 E 4.0529 8.3692 117.5711 58.9308 29.4378 178.3716 65 E 4.3454 7.6201 116.1931 55.5093 30.1389 176.8338 66 V 3.4614 7.1398 120.2683 63.1245 32.1718 175.6653 67 S 4.5614 8.4691 121.5043 56.3516 63.0403 172.4474 68 P 4.2939 0.0000 0.0000 65.4863 31.0264 178.1561 69 E 4.1611 8.0923 115.7645 58.7146 29.5457 178.3265 70 L 4.0065 7.8111 120.7532 57.3349 42.0873 179.0538 71 V 3.6000 7.7244 118.5188 66.2192 31.5260 177.4574 72 C 4.4202 8.0047 116.2123 59.7509 35.3243 176.2471 73 S 4.0953 8.2878 117.3548 61.9174 62.1817 176.5954 74 M 4.0625 7.5389 119.7427 57.9716 31.7793 178.0700 75 L 4.1067 7.4781 116.4188 55.0328 42.0230 176.6741 76 H 4.2650 7.7682 114.9724 57.1494 26.1155 175.3705 77 L 4.7048 8.3315 117.4233 54.8006 42.5879 176.3098 78 C 4.5278 7.8852 121.5547 57.2451 42.3241 173.6802 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 2 D 8.35 4.71 0.00 2.82 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 3 V 7.19 4.27 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 0.57 0.00 0.00 0.83 0.00 0.00 4 Y 8.25 4.24 0.00 3.08 2.99 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 5 C 8.36 4.39 0.00 3.18 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 3.88 0.00 2.07 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 2.40 2.37 0.00 7 V 7.64 3.66 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 1.04 0.00 0.00 0.85 0.00 0.00 8 C 8.30 4.34 0.00 3.23 3.32 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 9 E 8.51 3.94 0.00 2.33 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 2.41 2.46 0.00 10 F 8.45 4.14 0.00 3.17 3.33 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 0.00 11 L 8.02 3.71 0.00 1.96 1.70 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.80 3.53 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 1.01 0.00 0.00 1.01 0.00 0.00 13 K 7.92 3.90 0.00 1.91 1.74 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.59 7.81 14 E 7.65 3.75 0.00 1.85 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 15 V 7.75 3.51 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 0.95 0.00 0.00 16 T 7.89 3.85 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 1.22 0.00 0.00 17 K 7.65 3.96 0.00 1.96 1.83 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.41 7.81 18 L 7.93 4.08 0.00 1.81 1.88 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.52 4.14 1.85 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 1.68 0.72 0.95 0.00 0.00 20 D 7.45 4.73 0.00 2.79 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 21 N 7.26 5.08 0.00 2.91 2.96 0.00 0.00 5.74 6.96 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 22 N 8.65 4.34 0.00 2.77 2.85 0.00 0.00 6.88 6.90 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 23 K 8.14 3.95 0.00 2.07 1.83 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.58 7.81 24 T 8.03 3.81 4.39 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 1.18 0.00 0.00 25 E 7.97 3.86 0.00 2.11 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 2.32 2.38 0.00 26 K 8.11 3.78 0.00 2.08 1.79 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.46 7.81 27 E 7.75 3.92 0.00 1.95 2.24 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 2.24 2.29 0.00 28 I 7.61 3.57 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.69 0.33 0.00 0.00 29 L 7.88 3.98 0.00 1.94 1.75 1.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.86 4.54 0.00 2.64 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 31 A 7.61 4.47 1.25 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 0.00 0.00 0.00 32 F 7.54 4.50 0.00 3.15 2.98 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 0.00 0.00 0.00 0.00 33 D 8.23 4.42 0.00 2.76 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 34 K 8.00 4.04 0.00 1.76 1.98 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.54 7.81 35 M 8.09 4.25 0.00 2.24 2.45 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.63 0.00 36 C 8.41 4.46 0.00 3.01 3.15 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 37 S 7.88 4.07 0.00 4.05 3.94 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 0.00 0.00 0.00 38 K 7.41 4.38 0.00 1.96 1.91 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.65 1.45 7.81 39 L 6.87 4.71 0.00 1.69 1.62 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.28 0.00 2.21 2.00 0.00 3.66 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 2.13 2.15 0.00 41 K 8.73 3.99 0.00 1.82 1.87 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.44 7.81 42 S 8.01 4.27 0.00 3.98 3.98 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 0.00 0.00 0.00 0.00 43 L 7.86 4.70 0.00 1.69 1.70 0.92 0.51 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 44 S 7.57 4.10 0.00 4.00 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 45 E 8.17 3.93 0.00 2.03 1.95 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 2.37 2.37 0.00 46 E 8.19 3.96 0.00 2.20 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 0.00 2.50 2.31 0.00 47 C 7.98 4.19 0.00 3.17 3.32 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 48 Q 8.08 3.91 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 49 E 8.52 3.95 0.00 2.15 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 0.00 2.31 2.35 0.00 50 V 7.85 3.81 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 0.89 0.00 0.00 1.06 0.00 0.00 51 V 8.17 3.23 1.89 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 0.52 0.00 0.00 0.47 0.00 0.00 52 D 8.07 4.56 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.08 4.18 3.65 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 0.61 0.00 0.00 54 Y 8.37 4.72 0.00 2.87 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 55 G 8.18 3.57 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 0.00 0.00 0.00 0.00 56 S 8.10 4.61 0.00 4.04 4.05 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 57 S 8.18 4.74 0.00 4.09 4.16 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 0.00 0.00 0.00 58 I 7.57 3.75 2.07 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 1.48 0.98 1.00 0.00 0.00 59 L 8.01 3.97 0.00 1.74 1.69 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.01 4.12 0.00 4.10 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 3.70 1.99 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 1.92 1.00 0.91 0.00 0.00 62 L 8.02 4.03 0.00 1.77 1.81 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.12 4.12 0.00 1.78 1.74 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.37 4.05 0.00 2.18 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 2.35 2.36 0.00 65 E 7.62 4.35 0.00 1.92 1.98 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 0.00 2.30 2.30 0.00 66 V 7.14 3.46 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 0.70 0.00 0.00 0.97 0.00 0.00 67 S 8.47 4.56 0.00 3.91 3.74 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 68 P 0.00 4.29 0.00 2.20 2.26 0.00 3.64 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 69 E 8.09 4.16 0.00 2.45 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 0.00 2.35 2.42 0.00 70 L 7.81 4.01 0.00 1.77 1.85 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.72 3.60 2.08 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 0.97 0.00 0.00 0.95 0.00 0.00 72 C 8.00 4.42 0.00 3.05 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 73 S 8.29 4.10 0.00 4.03 3.91 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 74 M 7.54 4.06 0.00 1.95 2.22 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 2.61 2.70 0.00 75 L 7.48 4.11 0.00 1.73 1.69 0.92 1.46 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 76 H 7.77 4.26 0.00 3.36 3.44 0.00 5.61 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.33 4.70 0.00 1.72 1.72 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 78 C 7.89 4.53 0.00 2.91 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