NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3184 8.4449 120.2255 56.0783 29.9743 175.2656 4 R 4.0248 8.5055 123.1372 54.4330 31.3165 175.6862 5 P 4.2025 0.0000 0.0000 66.1868 32.1405 178.5071 6 L 3.9440 7.8437 117.9336 57.6915 41.9362 178.6093 7 D 4.2949 8.0273 119.2686 57.3309 40.5925 178.6841 8 V 3.5405 7.6356 116.7767 66.1106 31.9385 177.6326 9 I 3.6776 7.5402 119.3868 64.4549 36.9525 177.9045 10 H 4.0046 8.2152 119.4417 59.2164 29.5313 177.2689 11 R 4.0284 8.0772 119.1252 58.6339 30.2238 177.5736 12 S 4.4488 7.6175 113.1823 57.7784 63.1441 173.8663 13 L 4.3757 7.1032 122.5689 56.3050 41.7875 176.7541 14 D 4.4902 9.7574 122.2047 54.8871 39.0711 173.3138 15 K 4.7302 7.7796 118.4337 54.2371 36.3115 174.6280 16 D 5.0508 8.4512 120.9174 54.3342 42.5970 175.3857 17 V 5.0292 9.0009 117.9162 59.5898 36.6834 173.8387 18 L 5.0409 8.8386 125.1801 53.3890 44.4785 175.1925 19 V 4.6936 9.2550 126.8079 61.3847 33.7480 174.0896 20 I 4.5722 8.7894 130.4641 60.4069 38.4478 175.8819 21 L 4.9559 9.0600 127.2812 53.4963 43.9947 178.5740 22 K 4.2700 8.2786 120.6849 58.3512 31.8566 176.9534 23 K 4.3207 10.6106 122.1094 55.9714 33.8938 177.0164 24 G 4.2132 8.7759 108.5692 47.2887 0.0000 172.4340 25 F 5.1407 8.2171 123.4317 56.1347 41.3291 174.1801 26 E 5.3252 8.5949 122.9150 55.1948 33.7168 173.8196 27 F 5.5034 9.3461 118.4437 55.8101 43.0529 174.3714 28 R 5.0549 9.2234 121.6528 54.5081 33.8437 174.6863 29 G 4.0082 8.0864 110.4095 46.4669 0.0000 170.9650 30 R 4.8490 7.9618 120.8631 54.9892 31.2841 175.7335 31 L 4.6618 8.9382 130.2325 55.3212 42.5815 176.8240 32 I 4.2115 8.3581 119.3978 60.6455 39.1591 175.4127 33 G 4.2304 7.8720 108.3278 46.4314 0.0000 171.6555 34 Y 5.4423 7.8173 117.7719 56.4290 41.0660 172.3504 35 D 4.7937 8.6630 118.5634 51.2234 42.5896 176.1504 36 I 3.8227 8.2083 117.9141 63.8086 37.9021 175.9277 37 H 4.5725 8.2595 115.4981 55.7129 28.7784 175.3285 38 L 3.8228 7.9385 118.4461 55.6388 39.5525 174.2454 39 N 4.9146 8.2200 115.5473 53.4541 40.0110 174.5649 40 V 5.0850 8.8270 114.4493 59.7337 37.0118 174.4434 41 V 4.8425 8.8259 121.3991 61.2137 34.4044 174.2541 42 L 5.3734 9.0391 127.1362 52.9152 45.3116 175.2621 43 A 5.0067 8.8728 123.7239 50.2846 22.0420 175.7322 44 D 4.5737 8.5593 118.2572 55.1876 40.2674 172.5684 45 A 5.1462 8.1428 122.1165 50.9373 22.3667 177.2709 46 E 5.2158 9.3910 116.4413 55.0979 33.6165 174.0498 47 M 4.6847 9.3247 122.7931 54.4970 34.1966 174.5079 48 I 4.7957 8.7352 127.6170 59.4578 39.8071 174.2957 49 Q 4.2000 8.7713 128.2728 54.1758 31.5490 175.0384 50 D 4.0561 8.7164 129.2148 55.6093 38.7395 174.1683 51 G 3.8941 8.3759 101.1064 46.2969 0.0000 173.5386 52 E 4.4839 7.7260 118.8464 53.6375 32.6029 174.4862 53 V 4.0824 8.4735 126.3268 63.2941 31.8216 175.5855 54 V 4.2881 8.1300 120.2090 61.1886 33.1478 175.5661 55 K 4.2204 7.2532 119.3378 55.7201 35.2266 173.6252 56 R 5.0771 8.1605 122.4111 54.6582 34.0245 174.4657 57 Y 4.7364 8.8525 118.0998 56.4163 42.3361 176.6854 58 G 3.7159 9.0593 110.4955 49.0384 0.0000 173.5110 59 K 5.3188 7.8775 117.3587 54.7116 36.5350 175.9025 60 I 4.3200 8.6510 122.5223 59.8147 41.9251 173.2676 61 V 4.5803 8.2148 129.1568 61.4935 32.8636 174.6095 62 I 4.3584 8.5011 129.2903 59.2672 39.7068 175.4444 63 R 4.4654 8.5588 126.7573 55.6410 30.8495 177.9876 64 G 3.7079 9.6726 112.7518 48.4579 0.0000 175.0279 65 D 4.3688 8.1632 118.2428 56.4851 41.4907 176.2891 66 N 4.8182 7.9728 114.7520 52.7600 39.1735 173.9308 67 V 4.3864 7.5418 119.5682 62.2036 32.4096 175.5062 68 L 4.3082 9.1069 130.1191 57.6766 42.6147 176.0569 69 A 4.6140 7.5218 117.4971 51.4113 22.7495 174.8355 70 I 5.0960 8.1887 118.8102 59.8223 41.2551 175.2245 71 S 4.5961 9.1017 120.7220 55.8069 65.5768 171.0452 72 P 4.8116 0.0000 0.0000 62.2683 31.7295 176.4960 73 T 4.1261 8.4138 114.8995 61.9526 68.2944 174.3416 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 3 E 8.44 4.32 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 2.21 2.34 0.00 4 R 8.51 4.02 0.00 2.01 1.83 0.00 3.15 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 5 P 0.00 4.20 0.00 2.13 2.11 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 6 L 7.84 3.94 0.00 1.75 1.65 0.93 1.33 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 7 D 8.03 4.29 0.00 2.96 2.69 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 0.00 0.00 0.00 8 V 7.64 3.54 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 0.84 0.00 0.00 1.02 0.00 0.00 9 I 7.54 3.68 1.52 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 1.55 0.87 0.27 0.00 0.00 10 H 8.22 4.00 0.00 3.33 3.45 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.08 4.03 0.00 2.02 1.93 0.00 3.30 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 12 S 7.62 4.45 0.00 4.02 3.84 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 13 L 7.10 4.38 0.00 1.63 1.62 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.76 4.49 0.00 2.70 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 15 K 7.78 4.73 0.00 1.85 1.68 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.51 7.81 16 D 8.45 5.05 0.00 2.74 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 9.00 5.03 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 0.73 0.00 0.00 1.00 0.00 0.00 18 L 8.84 5.04 0.00 1.76 1.53 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.26 4.69 2.29 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 1.12 0.00 0.00 0.99 0.00 0.00 20 I 8.79 4.57 1.91 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 1.27 0.59 0.95 0.00 0.00 21 L 9.06 4.96 0.00 1.76 1.41 1.23 0.89 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 22 K 8.28 4.27 0.00 1.59 1.80 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.61 1.59 7.81 23 K 10.61 4.32 0.00 1.76 1.62 0.00 1.48 0.00 0.00 1.57 0.00 0.00 3.10 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.41 7.81 24 G 8.78 4.21 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 0.00 25 F 8.22 5.14 0.00 3.09 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.59 5.33 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 2.23 2.23 0.00 27 F 9.35 5.50 0.00 3.08 2.93 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 28 R 9.22 5.05 0.00 1.89 1.88 0.00 3.20 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 29 G 8.09 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 30 R 7.96 4.85 0.00 1.94 1.83 0.00 3.11 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 31 L 8.94 4.66 0.00 1.83 1.74 1.07 0.69 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 32 I 8.36 4.21 1.88 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 1.27 0.85 0.92 0.00 0.00 33 G 7.87 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 0.00 0.00 0.00 0.00 34 Y 7.82 5.44 0.00 3.03 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 35 D 8.66 4.79 0.00 2.86 2.74 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 36 I 8.21 3.82 1.83 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 1.38 0.65 0.66 0.00 0.00 37 H 8.26 4.57 0.00 3.34 3.32 0.00 5.80 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.94 3.82 0.00 1.86 1.84 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.22 4.91 0.00 2.93 2.73 0.00 0.00 6.77 7.68 0.00 0.00 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 V 8.83 5.08 2.12 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 0.78 0.00 0.00 0.92 0.00 0.00 41 V 8.83 4.84 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 1.00 0.00 0.00 0.91 0.00 0.00 42 L 9.04 5.37 0.00 1.55 1.52 0.95 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.87 5.01 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 44 D 8.56 4.57 0.00 2.69 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.14 5.15 1.43 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 0.00 0.00 0.00 46 E 9.39 5.22 0.00 1.99 2.04 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 2.46 2.28 0.00 47 M 9.32 4.68 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.87 0.00 48 I 8.74 4.80 1.77 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 1.07 0.49 0.86 0.00 0.00 49 Q 8.77 4.20 0.00 1.80 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.36 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 50 D 8.72 4.06 0.00 3.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 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 52 E 7.73 4.48 0.00 1.93 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 2.15 2.19 0.00 53 V 8.47 4.08 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 0.82 0.00 0.00 0.91 0.00 0.00 54 V 8.13 4.29 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 0.63 0.00 0.00 0.82 0.00 0.00 55 K 7.25 4.22 0.00 1.67 1.47 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.33 1.00 7.81 56 R 8.16 5.08 0.00 1.55 1.69 0.00 3.17 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 57 Y 8.85 4.74 0.00 2.91 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 58 G 9.06 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.88 5.32 0.00 1.60 1.65 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.44 7.81 60 I 8.65 4.32 1.45 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.03 0.59 0.00 0.00 61 V 8.21 4.58 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 0.80 0.00 0.00 0.88 0.00 0.00 62 I 8.50 4.36 1.76 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.20 0.88 0.00 0.00 63 R 8.56 4.47 0.00 1.84 1.83 0.00 3.11 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 1.69 1.59 0.00 64 G 9.67 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.16 4.37 0.00 2.63 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.97 4.82 0.00 2.68 2.71 0.00 0.00 6.44 8.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.54 4.39 2.23 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 0.83 0.00 0.00 1.00 0.00 0.00 68 L 9.11 4.31 0.00 1.64 1.84 0.93 1.02 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 69 A 7.52 4.61 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 70 I 8.19 5.10 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 1.26 0.72 0.95 0.00 0.00 71 S 9.10 4.60 0.00 3.84 3.66 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 72 P 0.00 4.81 0.00 1.97 1.98 0.00 3.73 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 2.01 2.06 0.00 73 T 8.41 4.13 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00