NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.4624 8.3349 115.4246 58.2078 63.9726 173.6129 16 I 3.9406 7.6633 121.8500 61.1961 37.9363 174.6927 17 R 4.6919 9.4093 125.7411 54.1015 33.4270 175.6097 18 L 3.5142 8.3458 122.5530 53.1686 42.7104 175.0577 19 P 4.0379 0.0000 0.0000 62.2333 32.1585 177.4344 20 A 3.9328 8.8565 126.1529 55.7955 18.2664 179.0895 21 H 4.4170 8.1641 108.7144 57.3104 28.8503 175.7604 22 L 4.3162 7.7769 119.0261 54.5394 42.5082 177.5836 23 R 4.3396 7.4283 120.7736 54.1745 27.8783 174.4398 24 L 4.5066 7.5190 119.6264 54.1110 43.6299 175.6356 25 Q 3.7464 8.6889 118.0772 55.6580 28.9947 176.4447 26 P 2.9700 0.0000 0.0000 64.6228 31.3332 178.4289 27 I 3.4563 6.9454 110.1057 63.0939 37.4794 176.1254 28 Y 4.7138 7.4402 117.4031 57.7263 38.5271 175.9224 29 W 4.6932 7.7332 121.5591 56.7208 30.0118 176.0162 30 S 4.8717 9.3732 118.3055 57.0692 65.6927 175.3817 31 R 4.8199 8.3589 121.7819 59.0020 29.6700 177.7168 32 D 4.3677 8.0692 117.7459 57.2241 41.2285 177.6704 33 D 4.2165 8.0374 119.5307 57.1885 40.6626 178.8501 34 V 3.8451 7.9627 118.4592 66.1077 31.5812 177.8819 35 A 4.1055 7.8920 120.2340 55.5043 18.2400 179.6934 36 Q 4.0402 8.2608 116.5085 58.4987 28.7286 178.4657 37 W 4.1986 8.9443 130.8734 60.3273 30.6178 177.6770 38 L 3.3862 8.2416 120.3695 58.0684 41.4585 179.0601 39 K 4.2773 7.9848 119.6556 58.6394 31.9019 179.1624 40 W 4.0865 8.3218 128.3371 60.3653 30.6790 177.7866 41 A 3.3652 7.9858 120.7090 54.9458 17.5796 179.1147 42 E 3.7761 8.0030 117.0919 59.8794 29.3140 179.6534 43 N 4.2422 7.7027 115.7951 56.0924 38.4958 177.1112 44 E 3.4097 8.0511 120.5393 58.6830 29.4845 177.5337 45 F 4.3896 8.2729 113.9290 56.2898 39.6599 175.9020 46 S 3.6675 7.1588 115.3268 59.4898 60.4696 172.3029 47 L 4.5217 7.8756 118.7525 53.1030 43.2868 177.8704 48 R 3.9543 8.4348 120.7643 55.7001 30.4587 175.0121 49 P 4.5872 0.0000 0.0000 63.2573 32.0498 175.1984 50 I 4.5862 8.9512 120.0598 58.7441 41.2125 174.1596 51 D 4.3204 8.8536 124.1921 54.8392 40.9051 176.1597 52 S 4.2212 8.5937 122.3972 60.9712 62.7875 174.2324 53 N 5.1287 8.1279 116.4882 51.5996 38.0353 173.6084 54 T 4.3384 8.1192 115.6478 63.6501 70.5601 175.4736 55 F 4.6516 8.1237 119.5280 55.5839 38.7097 173.9329 56 E 4.3490 8.1111 121.1370 55.2054 28.5000 175.7086 57 M 4.3892 7.8517 119.7820 54.6380 33.6552 174.5886 58 N 5.1405 8.1128 116.8292 51.7209 40.3187 175.6159 59 G 4.1149 8.7066 105.3538 47.9880 0.0000 175.7227 60 K 3.7708 8.1473 119.4399 59.3308 32.2920 178.6741 61 A 4.1440 8.1158 120.5508 54.8854 18.2691 179.3134 62 L 3.9634 7.6595 119.0801 58.4313 41.9511 179.2152 63 L 4.0822 7.7778 117.2911 57.1032 41.5294 178.8678 64 L 4.2447 7.7860 118.3788 56.0094 41.9743 177.5286 65 L 4.4965 7.2424 117.9391 54.9116 42.2961 176.7041 66 T 4.8114 8.8587 111.5788 59.3992 72.5633 175.2330 67 K 3.2260 7.6414 121.6671 59.7379 31.8342 178.0957 68 E 3.9427 8.0792 117.8930 59.7581 29.4795 178.9895 69 D 4.4005 7.8828 118.0949 57.4442 40.8754 178.9651 70 F 4.2250 8.8568 118.4553 60.7537 38.8032 177.7123 71 R 4.2081 8.7022 118.7576 59.6235 29.5964 177.9313 72 Y 4.2093 8.1440 118.7162 60.8586 38.9077 177.9533 73 R 4.2344 7.8214 117.4494 57.8397 30.6238 176.7241 74 S 4.4242 8.2962 113.4815 56.1267 63.4279 172.1708 75 P 4.3780 0.0000 0.0000 64.6967 31.3014 177.6732 76 H 4.6942 8.0554 113.1920 56.7482 29.4395 175.7577 77 S 4.7228 8.0342 113.1307 57.2410 64.9832 176.0080 78 G 4.0906 8.6789 108.5576 48.1957 0.0000 175.2751 79 D 4.4059 8.1807 120.8320 57.1101 40.9173 178.5835 80 R 3.8317 8.0167 118.4011 59.5300 30.0553 178.0894 81 L 3.8909 8.1078 118.7670 58.0945 41.6059 178.9232 82 Y 2.9440 7.9494 119.4251 60.4624 38.5944 178.0191 83 E 3.8386 8.4907 119.8663 59.1769 29.5347 179.1675 84 L 3.8371 8.1740 120.7860 58.0294 42.1812 178.7440 85 L 3.8537 7.9330 120.2873 58.3010 41.9056 178.9807 86 Q 3.7406 7.8742 118.1492 58.8745 28.2881 178.2641 87 H 4.0246 8.0514 118.6124 59.4546 30.1065 176.7580 88 I 3.8598 8.0324 120.6184 64.6578 37.2491 178.1389 89 L 4.1126 7.8924 121.7667 58.2101 41.3452 180.1875 90 K 4.2785 7.8863 119.4061 57.0454 31.4119 178.4845 91 Q 4.2680 7.9014 127.1367 57.1910 29.2923 174.9420 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 15 S 8.33 4.46 0.00 4.04 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 16 I 7.66 3.94 2.08 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.23 1.34 0.00 0.00 17 R 9.41 4.69 0.00 1.84 1.85 0.00 3.25 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.86 0.00 18 L 8.35 3.51 0.00 1.55 1.34 1.23 1.17 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 19 P 0.00 4.04 0.00 1.83 1.76 0.00 2.79 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.80 0.00 20 A 8.86 3.93 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 21 H 8.16 4.42 0.00 3.25 3.39 0.00 5.50 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.78 4.32 0.00 1.40 1.38 0.57 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.43 4.34 0.00 1.80 1.88 0.00 3.30 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 24 L 7.52 4.51 0.00 1.92 1.70 1.08 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.69 3.75 0.00 1.73 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 26 P 0.00 2.97 0.00 1.43 0.65 0.00 3.08 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.00 27 I 6.95 3.46 1.54 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 0.64 -0.36 0.63 0.00 0.00 28 Y 7.44 4.71 0.00 3.10 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 29 W 7.73 4.69 0.00 3.54 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 9.37 4.87 0.00 4.05 4.08 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 31 R 8.36 4.82 0.00 1.96 2.02 0.00 3.26 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 32 D 8.07 4.37 0.00 2.85 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 33 D 8.04 4.22 0.00 2.81 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 0.00 0.00 0.00 34 V 7.96 3.85 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 1.20 0.00 0.00 35 A 7.89 4.11 1.46 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 0.00 0.00 0.00 36 Q 8.26 4.04 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 37 W 8.94 4.20 0.00 2.68 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 38 L 8.24 3.39 0.00 2.01 1.74 1.17 0.78 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 39 K 7.98 4.28 0.00 1.91 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.62 7.81 40 W 8.32 4.09 0.00 3.42 3.50 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 41 A 7.99 3.37 0.82 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 0.00 0.00 42 E 8.00 3.78 0.00 2.16 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 0.00 2.28 2.45 0.00 43 N 7.70 4.24 0.00 2.55 2.75 0.00 0.00 6.73 8.78 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 44 E 8.05 3.41 0.00 1.16 1.12 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 1.47 1.47 0.00 45 F 8.27 4.39 0.00 2.89 2.94 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 46 S 7.16 3.67 0.00 3.95 3.86 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 0.00 0.00 0.00 47 L 7.88 4.52 0.00 1.57 1.57 0.77 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.43 3.95 0.00 1.81 1.86 0.00 3.20 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 49 P 0.00 4.59 0.00 2.03 2.02 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 50 I 8.95 4.59 1.95 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.93 1.05 0.00 0.00 51 D 8.85 4.32 0.00 2.68 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 52 S 8.59 4.22 0.00 3.89 3.95 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 53 N 8.13 5.13 0.00 2.78 2.91 0.00 0.00 6.94 7.27 0.00 0.00 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 T 8.12 4.34 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 0.84 0.00 0.00 55 F 8.12 4.65 0.00 3.04 3.06 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 0.00 0.00 0.00 56 E 8.11 4.35 0.00 1.99 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 0.00 2.36 2.33 0.00 57 M 7.85 4.39 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.75 0.00 58 N 8.11 5.14 0.00 3.27 3.10 0.00 0.00 5.80 7.11 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 59 G 8.71 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 60 K 8.15 3.77 0.00 1.88 1.89 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.63 7.81 61 A 8.12 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.66 3.96 0.00 1.93 1.74 0.95 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.78 4.08 0.00 1.75 1.63 0.67 0.53 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 64 L 7.79 4.24 0.00 1.81 1.75 0.93 0.86 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 65 L 7.24 4.50 0.00 1.98 1.77 0.73 1.28 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 66 T 8.86 4.81 4.19 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 1.25 0.00 0.00 67 K 7.64 3.23 0.00 0.79 1.47 0.00 1.46 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.19 7.81 68 E 8.08 3.94 0.00 1.97 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 2.33 2.32 0.00 69 D 7.88 4.40 0.00 3.06 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.86 4.22 0.00 3.45 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.70 4.21 0.00 2.04 2.19 0.00 3.17 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 72 Y 8.14 4.21 0.00 3.07 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 73 R 7.82 4.23 0.00 1.75 1.37 0.00 2.86 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.61 0.00 74 S 8.30 4.42 0.00 3.96 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 75 P 0.00 4.38 0.00 1.86 2.00 0.00 3.74 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 76 H 8.06 4.69 0.00 3.18 3.36 0.00 5.64 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.03 4.72 0.00 3.86 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 78 G 8.68 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.18 4.41 0.00 2.73 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 80 R 8.02 3.83 0.00 1.90 1.87 0.00 3.21 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 81 L 8.11 3.89 0.00 2.21 2.03 1.04 0.51 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 82 Y 7.95 2.94 0.00 2.59 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 83 E 8.49 3.84 0.00 2.13 1.96 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 2.43 2.69 0.00 84 L 8.17 3.84 0.00 1.30 1.89 1.05 0.60 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 85 L 7.93 3.85 0.00 1.60 1.46 0.39 0.63 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 86 Q 7.87 3.74 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 1.35 1.93 0.00 87 H 8.05 4.02 0.00 3.21 3.54 0.00 5.98 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.03 3.86 1.96 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.05 0.82 0.00 0.00 89 L 7.89 4.11 0.00 1.71 1.55 0.70 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.89 4.28 0.00 1.83 1.68 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.31 7.81 91 Q 7.90 4.27 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00