NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9266 8.3393 109.7366 45.0869 0.0000 173.1853 3 K 3.9490 8.3943 118.1458 55.8285 33.3378 170.6287 4 V 4.5069 8.6100 119.9183 61.3710 35.4934 175.0262 5 Y 5.0753 8.7773 123.5515 56.0633 41.3012 174.6409 6 K 4.5443 8.3171 121.6277 54.4711 35.7581 174.7593 7 K 4.9645 8.5147 124.3793 54.6567 34.6589 175.8391 8 V 4.5560 8.7406 117.4382 59.4813 35.4096 174.1196 9 E 5.0525 8.7553 124.5385 54.8053 30.8102 174.9014 10 L 4.9109 8.9376 126.4934 52.8168 46.1205 175.8058 11 V 4.7518 8.3212 120.3922 61.2244 33.4660 175.1113 12 G 4.5499 9.0615 116.2100 45.0779 0.0000 171.9994 13 T 5.7931 8.0379 111.7863 59.0699 72.1552 172.9554 14 S 4.6682 8.2152 114.5634 57.8202 65.2895 175.5108 15 E 4.4167 8.9659 124.2990 57.8269 29.9029 178.0917 16 E 4.1573 8.6043 118.8479 57.0001 30.1238 176.8409 17 G 3.3150 7.2640 104.8215 44.5479 0.0000 172.7814 18 L 3.7818 7.3225 118.1330 57.8026 41.5259 179.3226 19 E 3.8815 8.0382 117.7664 59.4818 29.4052 179.1704 20 A 3.9608 7.9122 119.9185 55.0187 18.5336 179.4081 21 A 3.9123 7.8935 119.0385 55.2530 18.4605 179.8752 22 I 3.4728 7.7556 118.3039 64.7336 37.1082 178.7462 23 Q 3.8946 8.3724 118.9318 58.7260 28.4626 178.7354 24 A 3.9145 8.1697 121.7611 55.0513 18.3804 179.5325 25 A 3.8804 7.8179 118.7356 55.3644 18.5598 179.7605 26 L 3.8541 7.8461 117.3050 57.6576 41.4009 179.6016 27 A 3.9558 8.0029 120.3929 55.0272 18.6314 179.3338 28 R 3.9070 7.9448 116.9977 59.4581 30.1206 178.4893 29 A 3.9234 8.0789 120.8924 55.1252 18.0424 179.4424 30 R 4.1361 8.0420 113.1680 58.0908 29.4544 178.8784 31 K 4.0537 7.7326 119.2127 58.9594 32.0832 177.4987 32 T 4.5144 7.2835 102.6354 60.4014 70.3133 173.6520 33 L 4.4364 7.8095 122.2933 52.8345 43.4609 176.0883 34 R 4.4370 8.1038 121.3374 55.6855 32.5127 174.9905 35 H 4.1944 8.4553 113.0920 56.8883 26.0562 175.1747 36 L 4.5236 8.1471 119.0029 55.3497 42.1642 175.7362 37 D 5.2085 9.2848 122.5902 55.2527 43.1775 176.2204 38 W 5.5149 7.8377 113.3582 55.0676 31.8927 173.0676 39 F 5.4053 8.3630 114.4004 55.2433 41.0724 173.8228 40 E 4.7215 9.2236 118.6935 54.6168 33.2429 175.0970 41 V 4.2049 8.7303 125.2711 63.0194 31.6968 175.5324 42 K 4.4448 9.2318 128.0934 58.4597 33.2426 176.9733 43 E 4.8344 7.9331 116.7323 55.0385 34.3260 174.2776 44 I 4.9277 8.3638 122.6689 59.8854 39.9187 174.9700 45 R 4.7117 9.0668 125.3906 54.8772 35.1929 173.6547 46 G 4.3289 7.9376 106.1742 46.9156 0.0000 172.4319 47 T 4.7955 8.0075 109.8809 59.9213 71.8353 173.5127 48 I 4.8961 8.1941 122.2144 59.9447 40.4146 175.6954 49 G 3.9811 9.0413 113.7378 44.6609 0.0000 172.3600 50 E 3.8032 8.9553 118.6692 58.8215 29.7035 178.3555 51 A 4.5045 7.8969 118.9969 51.8707 20.5507 176.3901 52 G 4.0009 7.7280 105.7769 43.8778 0.0000 177.3891 53 V 3.7315 8.3145 124.2677 62.8054 31.4394 174.3298 54 K 4.2246 8.5998 129.9899 57.6343 32.8607 175.1573 55 E 4.7498 8.3315 118.0717 54.5061 33.0783 174.4555 56 Y 4.6172 8.9381 122.3861 57.7900 39.7676 174.7063 57 Q 4.8777 9.3270 122.0993 54.3119 32.7226 174.3655 58 V 4.6787 8.8067 125.5132 61.0301 33.9444 174.5465 59 V 4.6796 8.7574 129.6672 62.0258 32.6263 174.7452 60 L 5.3158 9.1523 127.7525 54.2204 44.4733 174.9514 61 E 4.9127 9.1896 120.4638 55.2691 31.7410 175.2189 62 V 4.4891 8.9222 124.2774 61.0169 34.2353 174.2398 63 G 3.0494 8.0438 116.0222 44.0099 0.0000 172.3720 64 F 5.7244 8.5390 118.4667 54.7898 41.8673 173.7184 65 A 4.1591 8.8539 123.0309 51.8598 19.0249 177.1329 66 L 4.3905 8.1970 122.8918 53.8433 42.4170 177.3494 67 E 4.0357 8.7994 123.2041 57.2393 30.3490 176.8154 68 E 4.0958 8.6176 118.7207 57.0626 29.2346 174.7053 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 G 8.34 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 3 K 8.39 3.95 0.00 1.71 1.73 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.51 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.42 1.14 7.81 4 V 8.61 4.51 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 1.07 0.00 0.00 0.91 0.00 0.00 5 Y 8.78 5.08 0.00 3.01 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 6 K 8.32 4.54 0.00 1.47 0.74 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.11 1.24 7.81 7 K 8.51 4.96 0.00 1.63 1.79 0.00 2.02 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.13 1.43 7.81 8 V 8.74 4.56 2.14 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 0.88 0.00 0.00 1.03 0.00 0.00 9 E 8.76 5.05 0.00 2.10 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 2.22 2.33 0.00 10 L 8.94 4.91 0.00 1.56 1.47 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.32 4.75 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 0.86 0.00 0.00 0.93 0.00 0.00 12 G 9.06 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.04 5.79 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 1.22 0.00 0.00 14 S 8.22 4.67 0.00 3.89 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 15 E 8.97 4.42 0.00 2.04 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 2.52 2.30 0.00 16 E 8.60 4.16 0.00 1.96 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 2.35 2.28 0.00 17 G 7.26 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 0.00 0.00 0.00 18 L 7.32 3.78 0.00 1.56 1.63 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.04 3.88 0.00 1.99 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 2.38 2.43 0.00 20 A 7.91 3.96 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 21 A 7.89 3.91 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 22 I 7.76 3.47 1.86 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 1.38 0.60 0.31 0.00 0.00 23 Q 8.37 3.89 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 24 A 8.17 3.91 1.34 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 0.00 0.00 0.00 25 A 7.82 3.88 1.32 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 26 L 7.85 3.85 0.00 1.74 1.65 0.66 0.70 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 27 A 8.00 3.96 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 28 R 7.94 3.91 0.00 1.92 2.02 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 29 A 8.08 3.92 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 30 R 8.04 4.14 0.00 2.02 2.14 0.00 2.76 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 1.82 1.62 0.00 31 K 7.73 4.05 0.00 1.86 1.88 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.62 7.81 32 T 7.28 4.51 4.17 0.00 0.00 0.00 0.00 0.00 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 33 L 7.81 4.44 0.00 1.40 0.94 0.39 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.10 4.44 0.00 1.69 1.52 0.00 3.27 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 35 H 8.46 4.19 0.00 3.66 3.50 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.15 4.52 0.00 1.67 1.66 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.28 5.21 0.00 3.12 3.10 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 0.00 0.00 0.00 0.00 38 W 7.84 5.51 0.00 3.25 3.18 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 0.00 0.00 0.00 0.00 39 F 8.36 5.41 0.00 3.03 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 40 E 9.22 4.72 0.00 1.98 1.93 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 2.40 2.50 0.00 41 V 8.73 4.20 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 0.86 0.00 0.00 1.12 0.00 0.00 42 K 9.23 4.44 0.00 1.76 1.87 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.59 7.81 43 E 7.93 4.83 0.00 1.90 1.80 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 2.32 2.36 0.00 44 I 8.36 4.93 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.66 1.00 0.00 0.00 45 R 9.07 4.71 0.00 1.69 1.80 0.00 3.54 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 46 G 7.94 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 0.00 0.00 0.00 0.00 47 T 8.01 4.80 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 1.18 0.00 0.00 48 I 8.19 4.90 1.84 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 1.22 0.63 0.88 0.00 0.00 49 G 9.04 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 0.00 0.00 0.00 50 E 8.96 3.80 0.00 1.91 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 0.00 2.28 2.37 0.00 51 A 7.90 4.50 1.26 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 0.00 0.00 52 G 7.73 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 0.00 0.00 0.00 53 V 8.31 3.73 1.76 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 -0.32 0.00 0.00 0.64 0.00 0.00 54 K 8.60 4.22 0.00 1.78 1.64 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.38 7.81 55 E 8.33 4.75 0.00 1.87 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 2.18 2.37 0.00 56 Y 8.94 4.62 0.00 3.00 2.85 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 57 Q 9.33 4.88 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 8.81 4.68 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 0.95 0.00 0.00 0.95 0.00 0.00 59 V 8.76 4.68 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 0.94 0.00 0.00 0.95 0.00 0.00 60 L 9.15 5.32 0.00 1.95 1.74 0.90 0.44 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 61 E 9.19 4.91 0.00 1.92 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 2.43 0.00 62 V 8.92 4.49 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 0.94 0.00 0.00 0.90 0.00 0.00 63 G 8.04 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 0.00 0.00 0.00 64 F 8.54 5.72 0.00 3.33 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 65 A 8.85 4.16 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 66 L 8.20 4.39 0.00 1.55 1.59 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.80 4.04 0.00 2.00 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 2.37 2.45 0.00 68 E 8.62 4.10 0.00 2.13 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 0.00 2.19 2.29 0.00