NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.2936 8.4449 121.4718 55.4899 30.7751 175.4018 13 L 3.9289 8.4882 126.7587 53.9463 42.3583 174.8838 14 S 4.5309 8.5657 118.5978 56.6062 64.3364 172.6356 15 P 4.3244 0.0000 0.0000 64.8061 31.1440 177.3508 16 Q 4.0083 7.6708 119.0074 57.8063 28.8214 175.5781 17 Y 4.8060 7.8625 113.1012 57.6527 39.5998 175.5516 18 N 4.7799 7.8215 119.8564 51.9113 39.7032 175.7778 19 W 4.2628 8.5474 117.4709 59.5536 28.0939 178.4029 20 V 2.9101 6.5770 118.5017 65.3651 31.0245 177.2460 21 A 3.8471 8.1941 120.7020 55.8270 18.1177 179.1374 22 C 4.4455 8.4922 114.8110 59.9153 40.5540 176.6249 23 G 3.6004 8.2563 107.6204 47.8029 0.0000 175.9225 24 I 3.7137 7.7545 122.2212 63.8758 37.0338 178.0986 25 L 3.9036 7.9507 121.1992 58.2014 41.8718 178.5620 26 E 4.0134 8.5279 119.4839 59.3401 29.5321 178.8572 27 G 3.8021 8.4136 106.0135 47.9094 0.0000 175.8400 28 G 3.6152 8.3059 108.2797 47.5650 0.0000 175.9075 29 L 4.0879 8.2362 121.8716 57.2915 41.5620 179.8268 30 K 3.9860 8.3712 118.5210 59.3558 31.7951 179.1923 31 A 3.9969 8.2487 120.2628 55.0245 18.3889 178.9035 32 A 4.2411 8.0375 116.9969 52.1565 18.7514 177.7587 33 G 3.8892 7.9577 105.1215 46.7375 0.0000 175.2829 34 V 4.1415 7.7621 114.5648 61.2980 33.2957 176.4160 35 L 4.6046 7.7500 121.3052 53.9579 42.7334 175.1049 36 E 4.8207 8.9068 124.3914 53.9679 33.1193 175.2204 37 E 3.9476 8.4601 119.6280 57.7790 29.8764 178.4322 38 G 3.7367 8.8401 110.7510 45.6000 0.0000 173.5992 39 Q 4.2661 7.2805 119.8982 56.0133 29.4750 175.8113 40 Y 4.7882 8.9325 119.7664 56.6796 40.4912 176.4824 41 N 4.2537 8.8985 120.2336 57.3305 39.0115 177.0730 42 R 3.9392 8.4254 119.0845 59.6440 30.2106 178.9130 43 E 4.0268 8.2298 117.5597 59.1711 29.4807 179.0421 44 L 3.9309 7.9979 120.1176 58.1353 42.1564 178.6886 45 A 4.1151 8.2255 120.9435 55.5237 18.2851 179.5345 46 E 3.9127 8.3889 116.6847 59.3345 29.6011 179.4617 47 A 4.0330 8.2124 121.0042 55.1052 18.4213 179.8165 48 I 3.6580 8.0333 118.2230 64.4629 36.9951 178.4147 49 A 4.1580 8.0364 120.2937 55.2273 18.3572 179.1829 50 A 4.1192 8.1635 119.1514 55.3895 18.2793 180.0464 51 K 4.1559 7.9646 115.4680 58.9317 32.2259 179.2384 52 G 4.1127 7.9329 105.9272 44.7905 0.0000 173.9955 53 E 4.2977 7.5680 121.3251 56.3247 30.6685 177.3519 54 G 4.0653 8.6417 108.7121 44.8362 0.0000 173.0626 55 F 3.8073 8.7960 120.4061 61.5864 39.1278 178.5610 56 W 4.6224 8.1692 117.9584 59.9452 28.7938 178.6317 57 T 4.2195 8.1040 108.9423 64.8542 68.5103 176.2380 58 T 4.1054 7.8425 111.2576 63.5547 69.1912 176.0684 59 Q 4.2180 7.4391 118.4698 55.4359 29.4741 175.4808 60 F 4.6222 7.8787 117.7917 54.2098 41.6345 173.2391 61 P 4.3335 0.0000 0.0000 66.0074 31.0525 178.5589 62 Q 4.0852 8.2717 116.0948 59.0943 28.5524 178.8889 63 I 4.0005 7.9770 120.5733 64.1487 37.3129 178.3022 64 G 3.7823 8.3658 106.7224 47.9322 0.0000 175.1779 65 D 4.3585 8.5272 120.6162 56.8192 41.3176 177.9464 66 W 4.1178 8.4689 128.9658 60.5128 30.5678 177.1225 67 N 4.3863 8.8371 117.0841 57.0952 38.4266 176.6250 68 E 3.9776 8.2369 119.6954 59.4564 29.5541 179.1797 69 D 4.2709 8.4235 119.3211 57.5447 40.9173 178.9324 70 Q 3.6839 8.0685 118.6444 58.4988 28.4909 178.6554 71 A 3.9223 8.0930 121.9413 55.0040 18.4324 179.5496 72 A 3.9028 8.0894 119.1017 55.2156 18.4547 179.7067 73 A 3.9212 7.9567 119.3269 55.2521 18.3786 179.6776 74 L 3.9285 8.0231 118.6646 58.0345 42.1581 178.9884 75 A 3.9996 8.1695 120.9511 55.1756 18.3091 179.3177 76 D 4.3187 8.1996 117.4638 57.5148 40.8836 178.9696 77 R 4.0855 8.0230 119.0081 59.4021 29.9964 178.4177 78 A 4.0394 8.2979 120.7657 55.1809 18.3070 179.3675 79 Q 3.8978 8.1615 118.0620 59.7197 28.9117 178.6572 80 T 3.8079 7.8166 115.6999 66.6146 68.5083 175.2068 81 C 4.7608 8.0868 115.4331 56.7328 40.2331 174.0280 82 G 3.9252 7.9561 108.6700 46.5659 0.0000 174.9284 83 L 4.4219 8.1484 120.7524 55.1966 42.4641 177.0100 84 V 4.6745 7.2559 109.6112 59.2613 35.9392 175.3146 85 K 4.3309 8.6986 121.8136 55.6676 33.3761 176.7209 86 A 4.4195 8.5211 124.9452 51.9133 19.0386 177.4637 87 D 4.4382 8.8493 121.0023 54.8154 41.7060 176.6908 88 T 4.1335 8.0511 115.4770 62.2059 67.4400 174.0037 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 12 E 8.44 4.29 0.00 1.95 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 2.21 2.36 0.00 13 L 8.49 3.93 0.00 1.79 1.65 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.57 4.53 0.00 3.97 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 15 P 0.00 4.32 0.00 2.18 2.25 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 16 Q 7.67 4.01 0.00 1.80 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.18 0.00 0.00 0.00 0.00 0.00 1.99 1.46 0.00 17 Y 7.86 4.81 0.00 3.09 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.82 4.78 0.00 2.89 2.93 0.00 0.00 6.75 9.28 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 19 W 8.55 4.26 0.00 3.61 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 20 V 6.58 2.91 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 -0.87 0.00 0.00 21 A 8.19 3.85 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.49 4.45 0.00 3.13 3.22 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 23 G 8.26 3.60 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 0.00 0.00 0.00 24 I 7.75 3.71 1.98 0.00 0.00 0.79 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 0.64 0.89 0.00 0.00 25 L 7.95 3.90 0.00 1.74 1.86 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.53 4.01 0.00 2.09 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 0.00 2.33 2.35 0.00 27 G 8.41 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 0.00 0.00 0.00 28 G 8.31 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 4.09 0.00 1.70 1.74 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.37 3.99 0.00 2.00 1.86 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.61 7.81 31 A 8.25 4.00 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 32 A 8.04 4.24 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 33 G 7.96 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 34 V 7.76 4.14 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 0.74 0.00 0.00 1.01 0.00 0.00 35 L 7.75 4.60 0.00 1.59 1.57 1.07 0.85 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 36 E 8.91 4.82 0.00 1.94 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 2.40 0.00 37 E 8.46 3.95 0.00 1.99 1.86 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 2.39 2.24 0.00 38 G 8.84 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 0.00 0.00 0.00 39 Q 7.28 4.27 0.00 2.46 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 40 Y 8.93 4.79 0.00 3.00 3.07 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 0.00 0.00 0.00 0.00 41 N 8.90 4.25 0.00 2.98 3.21 0.00 0.00 7.56 8.02 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 42 R 8.43 3.94 0.00 1.93 1.99 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.16 0.00 43 E 8.23 4.03 0.00 2.24 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 0.00 2.46 2.46 0.00 44 L 8.00 3.93 0.00 1.80 1.84 0.96 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 45 A 8.23 4.12 1.36 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 0.00 0.00 0.00 46 E 8.39 3.91 0.00 2.19 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 2.34 2.50 0.00 47 A 8.21 4.03 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 48 I 8.03 3.66 2.00 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 1.47 0.70 0.92 0.00 0.00 49 A 8.04 4.16 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 50 A 8.16 4.12 1.39 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 0.00 0.00 0.00 51 K 7.96 4.16 0.00 1.93 1.92 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.62 7.81 52 G 7.93 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 53 E 7.57 4.30 0.00 2.12 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 2.40 2.57 0.00 54 G 8.64 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.80 3.81 0.00 2.94 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 56 W 8.17 4.62 0.00 3.56 3.28 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 57 T 8.10 4.22 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 1.46 0.00 0.00 58 T 7.84 4.11 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 1.20 0.00 0.00 59 Q 7.44 4.22 0.00 1.67 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 1.73 1.16 0.00 60 F 7.88 4.62 0.00 3.27 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 61 P 0.00 4.33 0.00 2.21 2.16 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 62 Q 8.27 4.09 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 63 I 7.98 4.00 2.35 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 1.01 0.00 0.00 64 G 8.37 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.53 4.36 0.00 2.92 2.97 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 66 W 8.47 4.12 0.00 3.57 3.39 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 0.00 67 N 8.84 4.39 0.00 3.15 3.18 0.00 0.00 7.28 8.46 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 68 E 8.24 3.98 0.00 2.21 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 2.36 2.63 0.00 69 D 8.42 4.27 0.00 2.58 2.57 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 70 Q 8.07 3.68 0.00 1.31 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 71 A 8.09 3.92 1.41 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 0.00 0.00 72 A 8.09 3.90 1.33 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 73 A 7.96 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 74 L 8.02 3.93 0.00 1.82 1.64 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.17 4.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.20 4.32 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.02 4.09 0.00 2.00 2.18 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 78 A 8.30 4.04 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 79 Q 8.16 3.90 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 80 T 7.82 3.81 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 0.44 0.00 0.00 81 C 8.09 4.76 0.00 3.27 3.19 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 0.00 82 G 7.96 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 83 L 8.15 4.42 0.00 1.73 1.74 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.26 4.67 2.17 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 0.72 0.00 0.00 0.94 0.00 0.00 85 K 8.70 4.33 0.00 1.06 1.53 0.00 1.35 0.00 0.00 1.42 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.12 7.81 86 A 8.52 4.42 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 87 D 8.85 4.44 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.05 4.13 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 0.94 0.00 0.00