NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9326 8.3549 109.7368 45.6652 0.0000 173.1462 5 V 3.8993 8.0544 114.2636 59.4696 33.1034 174.3400 6 P 4.2288 0.0000 0.0000 66.2058 31.9982 178.4574 7 I 3.6121 7.7722 116.4481 64.0763 37.9062 177.9046 8 K 4.0539 8.1575 119.4466 59.2261 31.6038 179.5232 9 V 3.5874 7.5770 117.4575 65.7841 31.7969 177.2963 10 L 4.0750 8.0884 120.2015 58.6318 41.9530 178.6079 11 H 4.3762 8.3327 116.2259 59.0649 28.4402 177.4856 12 E 4.1073 8.2364 118.6371 58.4264 29.5627 178.2222 13 A 4.3907 8.0687 120.1089 51.5620 18.8159 176.8467 14 E 4.2188 7.5927 118.3841 57.9481 29.7212 177.4994 15 G 3.9698 9.6521 113.4144 45.0827 0.0000 172.4359 16 H 4.9755 8.5410 116.6229 53.7126 32.4122 173.4305 17 I 4.5447 8.2381 120.5867 61.3481 37.7505 176.1120 18 V 4.7665 9.1620 119.1960 59.8803 36.2210 174.4147 19 T 4.9934 8.5889 118.7260 61.9658 71.5062 172.9241 20 C 4.9939 9.6067 127.0770 57.5615 34.5671 171.8886 21 E 4.8989 8.7074 128.5922 54.5496 31.1180 175.7401 22 T 4.6829 8.6253 117.9062 60.9772 70.5212 175.5023 23 N 4.4736 9.3597 119.3380 55.4403 38.6181 176.9364 24 T 4.4683 8.0627 106.7522 61.1860 69.1277 175.1763 25 G 3.9330 8.0948 110.0490 45.3580 0.0000 173.6971 26 E 4.3644 8.1879 119.8763 55.8082 31.2743 175.7760 27 V 4.5927 8.6411 123.4696 61.3240 34.2537 173.6648 28 Y 4.8204 9.2812 126.2763 56.2118 40.2850 174.6469 29 R 4.9330 9.0951 125.6021 54.3264 33.2877 175.1565 30 G 3.8702 8.3742 111.9170 46.1933 0.0000 170.9187 31 K 4.6827 7.7864 121.7532 56.0032 33.3037 176.5825 32 L 4.3266 9.0240 131.1961 55.4408 42.3211 177.0663 33 I 3.9975 8.7822 128.5065 63.4951 38.4036 176.4363 34 E 4.7776 7.9092 119.8687 55.0926 32.9356 173.6270 35 A 5.1844 8.9819 128.7283 50.3543 21.2959 176.0494 36 E 4.6465 8.8428 121.2562 54.2937 31.9215 176.8107 37 D 4.2745 8.8105 120.1041 57.7071 40.7884 177.8811 38 N 4.6196 8.0972 113.1208 52.7951 37.5237 175.4524 39 M 3.2062 8.7315 117.5000 55.6428 30.3958 176.4228 40 N 4.5049 8.4165 118.0393 53.6051 39.8024 173.7436 41 C 5.2350 9.2663 121.5500 57.9229 31.8087 172.6304 42 Q 5.0424 9.4659 125.4368 55.1992 30.1747 174.2334 43 M 5.5468 9.0897 125.7643 53.6089 36.6516 174.6404 44 S 4.9848 8.8123 114.8709 56.4209 67.0936 172.9342 45 N 4.3311 8.3452 116.7344 54.3290 36.2936 173.6417 46 I 4.7136 8.0712 113.0159 59.9018 41.4145 176.4406 47 T 5.0290 8.9143 120.0493 61.6840 71.2371 173.5966 48 V 4.4485 9.1053 126.9245 59.8869 34.6181 174.6515 49 T 4.6538 8.2417 120.2099 62.0516 70.9412 174.2506 50 Y 4.6251 8.5892 125.0657 56.5279 39.3708 176.7192 51 R 3.9170 8.7577 119.7856 59.5372 30.0476 177.6710 52 D 4.5834 8.1547 114.3104 53.1937 39.6497 177.1704 53 G 3.9185 8.2236 108.5582 45.1574 0.0000 174.0042 54 R 4.0504 8.2979 121.7124 56.4786 31.1256 175.2156 55 V 4.8271 8.4059 125.6769 61.3259 33.6174 174.1913 56 A 4.7985 8.8643 128.0560 51.0758 23.3473 174.3570 57 Q 5.0913 8.5620 116.6067 54.4730 32.4945 175.6088 58 L 4.7795 8.5276 120.0151 53.3499 46.0537 177.3992 59 E 4.0633 9.0397 122.0383 59.4433 30.6695 176.6175 60 Q 5.1036 7.7703 117.6674 55.1500 32.1883 174.0050 61 V 4.6324 8.9909 117.6988 59.9629 36.9076 173.8256 62 Y 5.0968 8.5062 122.7986 56.2490 40.9650 174.4104 63 I 4.1375 8.2584 129.0620 59.2232 39.3563 176.1708 64 R 4.0923 8.2323 126.5581 55.5378 30.9604 178.1202 65 G 3.5877 9.3370 111.4694 48.6342 0.0000 175.2751 66 C 4.3052 7.9699 112.7343 59.6391 29.9643 174.0419 67 K 4.3522 7.8792 119.7152 56.2275 32.3616 175.5312 68 I 4.3935 7.2934 121.1975 60.2196 38.2052 175.4989 69 R 4.3291 9.1351 127.3328 57.8158 30.2324 176.0492 70 F 5.0384 7.1773 111.5206 55.8268 41.3391 172.0464 71 L 5.3137 8.7212 118.9060 53.1035 44.8138 176.0598 72 I 4.4699 9.1952 124.1793 59.8994 39.0023 175.2506 73 L 4.9004 8.3830 126.7758 52.1852 43.9968 174.8944 74 P 4.2499 0.0000 0.0000 63.6767 31.9844 176.4326 75 D 4.7816 8.6098 119.3379 54.8411 41.9142 173.6690 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 4 G 8.35 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 5 V 8.05 3.90 2.09 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 0.83 0.00 0.00 0.94 0.00 0.00 6 P 0.00 4.23 0.00 2.15 2.13 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 7 I 7.77 3.61 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.40 0.94 0.00 0.00 8 K 8.16 4.05 0.00 2.03 1.86 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.48 7.81 9 V 7.58 3.59 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 0.83 0.00 0.00 0.97 0.00 0.00 10 L 8.09 4.08 0.00 1.75 1.74 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 11 H 8.33 4.38 0.00 3.34 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.24 4.11 0.00 2.10 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 2.36 2.53 0.00 13 A 8.07 4.39 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 14 E 7.59 4.22 0.00 2.11 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 2.39 2.41 0.00 15 G 9.65 3.97 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 0.00 0.00 0.00 16 H 8.54 4.98 0.00 3.16 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.24 4.54 1.90 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 1.36 0.49 0.93 0.00 0.00 18 V 9.16 4.77 2.11 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 0.79 0.00 0.00 0.95 0.00 0.00 19 T 8.59 4.99 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 1.25 0.00 0.00 20 C 9.61 4.99 0.00 2.91 2.92 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 21 E 8.71 4.90 0.00 1.43 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 1.86 2.01 0.00 22 T 8.63 4.68 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 1.31 0.00 0.00 23 N 9.36 4.47 0.00 2.73 2.90 0.00 0.00 7.05 6.59 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 24 T 8.06 4.47 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 1.22 0.00 0.00 25 G 8.09 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 26 E 8.19 4.36 0.00 2.14 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 27 V 8.64 4.59 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 0.73 0.00 0.00 0.85 0.00 0.00 28 Y 9.28 4.82 0.00 2.89 2.82 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 29 R 9.10 4.93 0.00 1.80 1.72 0.00 3.19 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 30 G 8.37 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.79 4.68 0.00 1.90 1.84 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.39 7.81 32 L 9.02 4.33 0.00 1.82 1.72 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.78 4.00 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.71 0.93 0.00 0.00 34 E 7.91 4.78 0.00 2.04 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 2.33 2.34 0.00 35 A 8.98 5.18 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.84 4.65 0.00 2.27 1.92 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 2.31 2.35 0.00 37 D 8.81 4.27 0.00 2.67 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.10 4.62 0.00 2.79 2.91 0.00 0.00 6.13 7.66 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 39 M 8.73 3.21 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 40 N 8.42 4.50 0.00 2.79 2.34 0.00 0.00 6.77 7.29 0.00 0.00 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 C 9.27 5.23 0.00 2.70 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 42 Q 9.47 5.04 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 43 M 9.09 5.55 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 44 S 8.81 4.98 0.00 3.90 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 45 N 8.35 4.33 0.00 2.81 2.86 0.00 0.00 6.89 7.88 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 46 I 8.07 4.71 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.90 1.01 0.00 0.00 47 T 8.91 5.03 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 1.15 0.00 0.00 48 V 9.11 4.45 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 0.44 0.00 0.00 -0.78 0.00 0.00 49 T 8.24 4.65 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 1.14 0.00 0.00 50 Y 8.59 4.63 0.00 3.19 2.81 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 0.00 0.00 0.00 51 R 8.76 3.92 0.00 1.84 2.04 0.00 3.38 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 52 D 8.15 4.58 0.00 2.79 2.78 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 53 G 8.22 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 54 R 8.30 4.05 0.00 2.07 2.07 0.00 3.06 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 55 V 8.41 4.83 2.06 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 0.79 0.00 0.00 0.93 0.00 0.00 56 A 8.86 4.80 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 57 Q 8.56 5.09 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 58 L 8.53 4.78 0.00 1.65 1.56 1.12 1.11 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 59 E 9.04 4.06 0.00 1.95 2.01 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 2.41 2.33 0.00 60 Q 7.77 5.10 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 61 V 8.99 4.63 1.89 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 0.75 0.00 0.00 0.86 0.00 0.00 62 Y 8.51 5.10 0.00 2.78 2.80 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 63 I 8.26 4.14 1.62 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.65 0.68 0.00 0.00 64 R 8.23 4.09 0.00 1.73 1.71 0.00 3.08 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.27 0.00 65 G 9.34 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 C 7.97 4.31 0.00 3.07 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 67 K 7.88 4.35 0.00 1.83 1.80 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.45 7.81 68 I 7.29 4.39 1.94 0.00 0.00 0.77 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 0.56 0.89 0.00 0.00 69 R 9.14 4.33 0.00 1.80 1.77 0.00 3.24 0.00 0.00 3.30 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.48 0.00 70 F 7.18 5.04 0.00 3.13 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 71 L 8.72 5.31 0.00 1.57 1.63 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 72 I 9.20 4.47 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.05 0.94 0.00 0.00 73 L 8.38 4.90 0.00 1.52 1.59 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.25 0.00 1.97 1.97 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 75 D 8.61 4.78 0.00 2.79 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