NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2355 0.0000 0.0000 61.2372 33.6795 175.4076 17 S 3.4984 7.9845 112.6950 59.1820 60.6616 169.8662 18 R 4.2275 7.6652 121.8701 56.6080 33.3132 175.7724 19 K 3.8077 8.5328 119.8998 56.7137 31.0992 175.9066 20 A 4.6416 8.1821 118.8812 50.8319 20.7851 177.3819 21 K 4.4415 8.2098 119.8200 55.6724 33.1334 178.8155 22 V 3.4453 8.0861 122.3023 65.7434 31.7687 177.7781 23 K 4.3375 7.9716 119.7282 59.5049 32.3614 177.6164 24 A 4.1804 8.2837 119.9040 55.8489 18.6845 178.8208 25 T 4.2220 7.6691 111.8762 60.9295 66.3312 172.9532 26 L 4.4964 6.6760 124.7008 55.2664 45.6531 173.0522 27 G 4.3740 8.3196 110.1497 44.8566 0.0000 172.5328 28 E 4.0863 8.7857 124.1084 56.0434 30.4048 176.4109 29 F 4.8032 7.6579 118.7196 55.9308 40.6349 173.4007 30 D 4.6321 8.6122 121.6054 52.5964 40.4101 176.9584 31 L 4.1222 8.4589 127.6029 57.0406 41.7465 178.3053 32 R 4.2189 7.9880 116.6531 56.3593 30.7722 175.7964 33 D 4.3399 8.1113 118.5775 53.9601 39.7453 175.3292 34 Y 4.5072 7.7176 121.4222 57.1494 37.7743 176.8446 35 R 4.5765 7.5076 118.2330 56.3618 32.4711 177.0364 36 N 4.6335 7.5254 117.5045 52.2468 36.1148 174.7829 37 V 3.5615 7.8736 124.2493 65.6315 31.7231 176.6580 38 E 3.9396 8.1382 117.2486 59.1850 29.6431 179.1095 39 V 3.7807 7.5572 118.1889 64.2744 32.0210 177.9935 40 L 4.0622 8.1217 120.2805 57.6357 41.1732 179.4501 41 K 3.3317 8.1730 119.2698 59.9277 31.7442 178.4939 42 R 3.8435 7.7535 117.2566 58.3907 30.1068 177.8574 43 F 4.3694 8.9990 117.1838 56.8125 39.2625 175.2005 44 L 4.9884 6.8252 118.8836 53.1932 43.1974 177.6061 45 S 4.5392 8.6401 116.4260 57.7219 65.0809 173.3606 46 E 4.0441 8.8254 118.4526 60.0840 29.5459 177.8721 47 T 4.3919 7.4646 113.4526 62.4615 69.5413 175.9745 48 G 4.0123 8.5513 109.6939 46.0467 0.0000 173.9020 49 K 4.3772 8.3494 119.9314 55.4769 33.6993 176.5173 50 I 4.2963 8.2315 124.5645 60.9312 37.5784 176.1272 51 L 4.2674 8.7914 128.0203 54.1472 42.3630 175.7075 52 P 4.5670 0.0000 0.0000 62.0607 32.4992 177.7945 53 R 4.2971 8.5730 120.3731 59.1228 29.6580 179.2478 54 R 3.9500 8.0593 116.3294 59.2296 30.2685 178.0792 55 R 4.3988 7.7220 116.2923 58.2359 30.7667 178.5333 56 T 4.2958 8.8793 109.4353 62.4279 68.5073 175.5887 57 G 3.9610 7.8188 108.9885 46.3857 0.0000 173.5364 58 L 4.6492 7.8206 119.0219 53.3242 43.4948 176.5784 59 S 4.6584 8.9763 115.2118 57.0329 65.6753 174.7134 60 A 3.9372 8.5261 125.8575 55.7040 17.9792 179.8756 61 K 3.7638 8.1167 116.9183 59.8963 32.0713 178.4386 62 E 3.8560 8.0593 118.4012 59.4429 29.4434 178.7483 63 Q 3.8451 8.6363 119.7725 59.5231 28.8790 179.1923 64 R 3.8537 8.2504 119.4891 59.6088 30.1927 178.5775 65 I 3.7006 7.5316 119.2510 64.4950 37.0660 177.5388 66 L 3.7775 8.2945 121.0560 58.0390 41.7870 178.6593 67 A 3.9646 8.2072 120.0854 55.3023 18.3121 179.6208 68 K 3.8779 7.8370 118.0894 59.8678 32.3085 179.2250 69 T 3.9380 7.9629 110.0459 64.8256 68.6313 176.1944 70 I 3.6492 8.1813 123.3075 64.2819 37.1202 178.3767 71 K 3.7752 8.0829 118.8034 59.5640 31.7796 179.6934 72 R 3.7983 7.7352 117.8317 59.1246 30.1016 178.7413 73 A 4.0498 8.2648 120.9763 55.1912 18.3119 179.9511 74 R 4.2391 7.9232 117.9799 59.0481 29.8220 179.3811 75 I 3.9463 7.1833 117.8539 64.4084 37.1201 178.2547 76 L 4.1662 7.7144 119.0959 56.1317 41.5271 178.0938 77 G 4.1398 8.0235 106.2707 45.3656 0.0000 174.7896 78 L 4.0990 7.9535 118.8480 57.0083 42.0360 177.1561 79 L 4.8037 7.5549 116.8847 51.8327 44.6377 174.1583 80 P 4.7952 0.0000 0.0000 62.5677 32.3881 176.1000 81 F 4.4090 8.5710 117.5451 59.5398 39.9042 176.4209 82 T 4.4289 7.3720 110.4853 61.2664 69.7397 171.7269 83 E 4.8342 8.5823 125.9324 54.1445 33.2011 175.5662 84 K 4.2328 8.3675 120.1327 55.4877 32.9364 177.0704 85 L 3.9818 8.4777 125.9579 55.1178 42.5003 176.4410 86 V 4.2148 8.1000 125.1636 61.9310 34.3553 176.5746 87 R 3.6823 8.7010 120.4430 58.7312 28.3720 175.9404 88 K 4.2020 8.8596 114.4844 56.5533 31.4655 175.8903 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 16 P 0.00 4.24 0.00 2.20 2.24 0.00 3.89 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 17 S 7.98 3.50 0.00 4.08 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 18 R 7.67 4.23 0.00 1.84 1.88 0.00 3.49 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 19 K 8.53 3.81 0.00 1.88 1.92 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.46 7.81 20 A 8.18 4.64 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 21 K 8.21 4.44 0.00 1.90 1.77 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.56 1.72 7.81 22 V 8.09 3.45 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 -0.52 0.00 0.00 0.74 0.00 0.00 23 K 7.97 4.34 0.00 2.15 1.96 0.00 1.97 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.61 7.81 24 A 8.28 4.18 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 25 T 7.67 4.22 4.18 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 1.17 0.00 0.00 26 L 6.68 4.50 0.00 1.82 1.86 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.32 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.79 4.09 0.00 1.92 1.88 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 2.28 2.21 0.00 29 F 7.66 4.80 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.61 4.63 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.46 4.12 0.00 1.66 1.73 0.85 1.05 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 32 R 7.99 4.22 0.00 1.77 2.07 0.00 3.24 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 33 D 8.11 4.34 0.00 2.87 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 34 Y 7.72 4.51 0.00 3.08 3.08 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 35 R 7.51 4.58 0.00 1.77 1.92 0.00 3.20 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.24 0.00 36 N 7.53 4.63 0.00 3.02 2.70 0.00 0.00 6.64 7.59 0.00 0.00 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 V 7.87 3.56 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 1.01 0.00 0.00 0.99 0.00 0.00 38 E 8.14 3.94 0.00 1.95 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 2.31 0.00 39 V 7.56 3.78 2.16 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 0.91 0.00 0.00 0.59 0.00 0.00 40 L 8.12 4.06 0.00 1.71 1.80 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.17 3.33 0.00 1.90 1.91 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.51 7.81 42 R 7.75 3.84 0.00 1.74 1.45 0.00 2.92 0.00 0.00 3.02 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 43 F 9.00 4.37 0.00 3.14 3.08 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 44 L 6.83 4.99 0.00 1.64 1.59 0.90 0.83 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 45 S 8.64 4.54 0.00 3.93 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 46 E 8.83 4.04 0.00 1.96 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 2.31 2.39 0.00 47 T 7.46 4.39 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 1.30 0.00 0.00 48 G 8.55 4.01 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 0.00 0.00 0.00 49 K 8.35 4.38 0.00 1.70 1.75 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.44 7.81 50 I 8.23 4.30 1.89 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 1.36 0.48 0.94 0.00 0.00 51 L 8.79 4.27 0.00 1.69 1.67 0.96 1.23 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 52 P 0.00 4.57 0.00 2.20 1.99 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 53 R 8.57 4.30 0.00 1.84 2.01 0.00 3.72 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.55 0.00 54 R 8.06 3.95 0.00 1.77 2.04 0.00 3.25 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 55 R 7.72 4.40 0.00 1.97 1.97 0.00 3.29 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 56 T 8.88 4.30 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 57 G 7.82 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 0.00 0.00 0.00 58 L 7.82 4.65 0.00 1.68 1.63 0.72 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.98 4.66 0.00 4.01 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 60 A 8.53 3.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 3.76 0.00 1.82 1.82 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.54 7.81 62 E 8.06 3.86 0.00 2.28 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 2.28 2.29 0.00 63 Q 8.64 3.85 0.00 2.10 2.32 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 2.37 2.44 0.00 64 R 8.25 3.85 0.00 2.05 2.05 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 65 I 7.53 3.70 1.98 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 1.40 0.96 0.96 0.00 0.00 66 L 8.29 3.78 0.00 1.51 1.75 0.57 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.21 3.96 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 68 K 7.84 3.88 0.00 1.98 1.93 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 69 T 7.96 3.94 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 70 I 8.18 3.65 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.78 0.86 0.00 0.00 71 K 8.08 3.78 0.00 2.00 1.87 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.64 7.81 72 R 7.74 3.80 0.00 2.05 1.66 0.00 3.14 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.77 0.00 73 A 8.26 4.05 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 74 R 7.92 4.24 0.00 1.42 0.66 0.00 2.81 0.00 0.00 2.40 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.33 0.00 75 I 7.18 3.95 1.98 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 1.72 0.73 0.95 0.00 0.00 76 L 7.71 4.17 0.00 1.84 1.75 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.02 4.14 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 0.00 0.00 0.00 78 L 7.95 4.10 0.00 1.79 1.77 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.55 4.80 0.00 1.59 1.42 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.80 0.00 2.20 2.05 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 81 F 8.57 4.41 0.00 3.05 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.37 4.43 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 1.27 0.00 0.00 83 E 8.58 4.83 0.00 1.96 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 2.21 2.23 0.00 84 K 8.37 4.23 0.00 1.75 1.75 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.43 7.81 85 L 8.48 3.98 0.00 1.59 1.58 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.10 4.21 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 0.84 0.00 0.00 0.96 0.00 0.00 87 R 8.70 3.68 0.00 1.98 1.82 0.00 3.25 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 88 K 8.86 4.20 0.00 1.83 2.15 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.28 1.35 7.81