NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9389 8.3549 109.7368 45.0300 0.0000 173.5861 3 K 3.8420 8.6156 122.4737 55.7457 32.8427 170.7787 4 V 4.5284 8.6173 121.5869 61.4210 35.7156 173.6013 5 Y 5.0463 8.8158 123.6581 56.0670 41.3929 174.5931 6 K 4.5499 8.3769 121.4307 54.4631 35.9715 174.8186 7 K 5.0109 8.4841 123.8270 54.6503 34.8988 175.8514 8 V 4.5650 8.7968 117.7159 59.4919 35.2387 174.1294 9 E 5.0667 8.7385 124.4102 54.7687 30.9163 174.9032 10 L 4.9160 8.9975 126.3266 52.8433 46.3574 175.9219 11 V 4.7395 8.3371 120.2096 61.2070 33.5276 174.9636 12 G 4.1274 8.8285 116.6302 45.6994 0.0000 171.7094 13 T 5.3710 8.0196 112.7356 60.1323 72.2663 172.8799 14 S 4.6318 8.6759 114.5311 58.1769 66.1500 175.7536 15 E 4.6684 9.0116 123.4234 56.8820 30.1684 177.4019 16 E 4.1103 8.5287 119.3829 57.0229 29.9585 177.1003 17 G 3.5670 7.6129 105.2177 44.3462 0.0000 172.6295 18 L 3.6607 7.1413 118.3413 57.9065 41.4370 179.5501 19 E 3.8878 8.0129 117.5312 59.4919 29.3743 179.2220 20 A 4.0178 7.9096 119.9336 54.9423 18.5346 179.4387 21 A 3.9019 7.8327 119.3785 55.3012 18.4740 179.9082 22 I 3.4967 7.6712 118.2779 64.6935 37.1244 178.7341 23 Q 3.8886 8.4144 118.9883 58.7349 28.4548 178.7799 24 A 3.9118 8.2076 121.8236 55.0458 18.3397 179.5472 25 A 3.8725 7.7596 118.7677 55.3802 18.4655 179.9534 26 L 3.8292 7.8305 117.2555 57.6352 41.3734 179.6297 27 A 3.9512 7.9131 120.4364 55.0297 18.5883 179.3800 28 R 3.9144 7.9956 117.0976 59.3036 30.1721 178.4210 29 A 3.8560 8.1414 120.9064 55.2773 18.1642 179.5786 30 R 3.8120 7.6857 115.6010 59.1914 30.0960 178.5209 31 K 4.1777 7.7267 117.7188 58.5799 32.1171 177.4858 32 T 4.5570 7.5797 104.7186 60.3692 70.2857 173.3077 33 L 4.3824 7.8205 122.5196 52.9431 43.9793 176.1880 34 R 4.4066 8.1650 121.5264 55.4439 32.5707 174.9707 35 H 4.1709 8.4028 112.8972 56.7999 26.2205 175.3959 36 L 4.5511 8.0878 118.2608 55.4071 42.3356 176.1418 37 D 5.2003 9.3421 122.6052 55.3097 43.4272 175.9945 38 W 5.5103 7.8324 113.2007 55.2008 31.9971 173.0942 39 F 5.3265 8.3018 113.9222 55.3576 41.0185 173.7605 40 E 4.7363 9.3167 118.9208 54.6676 33.2891 175.0532 41 V 4.2644 8.7545 125.1231 62.9716 31.7908 175.4182 42 K 4.5229 9.4035 127.3960 57.9494 33.7038 176.7133 43 E 4.8506 7.9089 116.8312 54.9549 34.3715 174.4270 44 I 5.0302 8.3154 122.6995 59.8447 40.3867 174.9151 45 R 4.5406 8.7161 123.4822 57.0049 32.9281 173.5605 46 G 4.1659 7.9532 105.8004 47.2283 0.0000 172.1122 47 T 4.7338 7.8845 109.8811 60.1017 71.6504 173.6055 48 I 4.6994 8.2292 122.7982 59.6718 38.2698 176.1246 49 G 4.2567 9.1627 117.6702 44.9186 0.0000 174.5820 50 E 4.2169 8.7913 116.1384 58.1085 30.2042 177.8965 51 A 4.5651 8.5533 119.1469 51.2161 21.4826 175.6975 52 G 3.9239 6.6895 105.9276 44.1376 0.0000 174.2802 53 V 3.7747 7.9518 126.5174 62.8468 31.7207 175.0730 54 K 4.2209 8.4102 130.0385 57.7746 32.4564 175.5953 55 E 4.8023 8.1469 118.8341 54.4284 32.9223 173.8321 56 Y 4.6184 9.2100 125.1650 57.6913 39.8709 174.6209 57 Q 4.9356 9.4908 122.0258 54.2675 32.8335 174.3229 58 V 4.7078 8.9308 125.3214 61.0108 34.0882 174.4834 59 V 4.6661 8.7664 129.6764 62.1622 32.6579 174.8207 60 L 5.2788 9.2477 127.4344 54.4851 44.7072 174.4700 61 E 5.0668 9.3107 119.5041 54.6841 32.1908 175.2287 62 V 4.4997 8.9080 124.4951 61.0025 34.1560 174.2735 63 G 2.9939 8.1479 115.7753 43.9611 0.0000 172.3389 64 F 5.6405 8.2125 118.0796 55.0499 41.9283 173.4904 65 R 4.1341 8.8365 121.5028 56.0504 30.5533 176.0184 66 L 4.4976 8.2691 126.5105 54.2728 42.6919 176.8678 67 E 4.2597 8.8047 121.8761 55.1753 30.7538 176.4989 68 E 4.0446 8.5626 119.6104 56.7192 29.5709 176.7676 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 8.35 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 0.00 0.00 0.00 3 K 8.62 3.84 0.00 1.84 1.42 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.46 7.81 4 V 8.62 4.53 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 1.09 0.00 0.00 0.95 0.00 0.00 5 Y 8.82 5.05 0.00 3.01 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 6 K 8.38 4.55 0.00 1.44 0.74 0.00 1.58 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.16 1.27 7.81 7 K 8.48 5.01 0.00 1.62 1.78 0.00 2.06 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.14 1.44 7.81 8 V 8.80 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 0.95 0.00 0.00 1.09 0.00 0.00 9 E 8.74 5.07 0.00 2.11 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 2.47 0.00 10 L 9.00 4.92 0.00 1.55 1.47 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.34 4.74 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 0.94 0.00 0.00 12 G 8.83 4.13 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 0.00 0.00 0.00 13 T 8.02 5.37 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 14 S 8.68 4.63 0.00 3.90 3.75 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 15 E 9.01 4.67 0.00 2.02 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 2.50 2.33 0.00 16 E 8.53 4.11 0.00 1.97 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 2.27 0.00 17 G 7.61 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 18 L 7.14 3.66 0.00 1.50 1.60 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.01 3.89 0.00 1.98 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 2.38 2.42 0.00 20 A 7.91 4.02 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 21 A 7.83 3.90 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 22 I 7.67 3.50 1.87 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 1.40 0.65 0.33 0.00 0.00 23 Q 8.41 3.89 0.00 2.10 2.09 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 2.44 2.47 0.00 24 A 8.21 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 7.76 3.87 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 7.83 3.83 0.00 1.61 1.65 0.61 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.91 3.95 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 28 R 8.00 3.91 0.00 1.92 2.02 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.14 3.86 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 30 R 7.69 3.81 0.00 1.87 2.11 0.00 3.24 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 31 K 7.73 4.18 0.00 1.89 1.81 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.60 7.81 32 T 7.58 4.56 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 1.16 0.00 0.00 33 L 7.82 4.38 0.00 1.27 0.52 0.50 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.16 4.41 0.00 1.72 1.55 0.00 3.35 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 8.40 4.17 0.00 3.65 3.47 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.09 4.55 0.00 1.67 1.66 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.34 5.20 0.00 3.11 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 38 W 7.83 5.51 0.00 3.25 3.20 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 0.00 39 F 8.30 5.33 0.00 3.03 2.95 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 40 E 9.32 4.74 0.00 1.99 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 2.41 2.55 0.00 41 V 8.75 4.26 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 0.83 0.00 0.00 1.13 0.00 0.00 42 K 9.40 4.52 0.00 1.75 1.86 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.58 7.81 43 E 7.91 4.85 0.00 1.89 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 2.37 0.00 44 I 8.32 5.03 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 1.01 0.00 0.00 45 R 8.72 4.54 0.00 1.82 2.04 0.00 2.89 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 1.66 1.77 0.00 46 G 7.95 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 0.00 0.00 0.00 0.00 47 T 7.88 4.73 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 8.23 4.70 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.60 0.90 0.00 0.00 49 G 9.16 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 0.00 0.00 0.00 0.00 50 E 8.79 4.22 0.00 2.15 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 2.29 0.00 51 A 8.55 4.57 1.23 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 0.00 0.00 0.00 52 G 6.69 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 0.00 0.00 0.00 53 V 7.95 3.77 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 -0.21 0.00 0.00 0.65 0.00 0.00 54 K 8.41 4.22 0.00 1.81 1.80 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.35 7.81 55 E 8.15 4.80 0.00 2.05 1.69 0.00 0.00 0.00 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 2.26 0.00 56 Y 9.21 4.62 0.00 3.13 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 9.49 4.94 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 58 V 8.93 4.71 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 1.01 0.00 0.00 0.95 0.00 0.00 59 V 8.77 4.67 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 0.94 0.00 0.00 1.00 0.00 0.00 60 L 9.25 5.28 0.00 1.95 1.77 0.90 0.50 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 61 E 9.31 5.07 0.00 1.90 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 2.27 2.42 0.00 62 V 8.91 4.50 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 0.94 0.00 0.00 0.90 0.00 0.00 63 G 8.15 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 0.00 0.00 0.00 64 F 8.21 5.64 0.00 3.42 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 65 R 8.84 4.13 0.00 1.91 1.90 0.00 3.07 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.00 0.00 66 L 8.27 4.50 0.00 1.57 1.55 0.87 1.25 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 E 8.80 4.26 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 2.35 2.41 0.00 68 E 8.56 4.04 0.00 1.91 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 2.30 2.35 0.00