NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 P 4.3126 0.0000 0.0000 63.7846 33.2779 176.4745 10 G 3.7013 8.8544 105.2045 42.7657 0.0000 170.7654 11 L 4.8146 7.7802 123.3792 53.2576 44.3588 174.4731 12 Q 4.0468 8.5095 117.6085 55.9320 29.4156 175.2265 13 I 5.1152 7.5849 122.0783 59.5847 38.9065 174.2886 14 Y 4.9442 8.2311 122.1177 55.5015 42.5130 172.5398 15 P 4.6846 0.0000 0.0000 62.7319 32.0353 177.4205 16 Y 4.3770 9.0031 120.6637 61.2356 38.5578 177.2041 17 E 3.4620 8.2269 118.8952 59.7353 29.2806 179.2939 18 M 4.1706 7.9269 117.2958 57.3662 32.2025 176.9246 19 L 4.4418 7.4506 116.6961 54.2742 42.1075 176.9664 20 V 3.6293 6.8772 117.8066 62.9606 31.7729 175.2591 21 V 3.9340 7.7504 122.6880 63.9682 32.5142 177.6907 22 T 4.9891 7.5061 113.3381 64.6211 70.2709 176.6009 23 N 4.2935 8.3302 116.9948 55.8690 38.5308 175.9428 24 K 4.6055 9.1062 115.1104 54.1388 33.9894 175.2845 25 G 3.9919 6.3026 110.3219 44.4737 0.0000 174.6653 26 R 5.0158 7.4690 117.8293 56.1430 33.7870 175.5627 27 T 4.6661 7.4538 111.2027 62.3716 70.3997 175.4561 28 K 4.4995 8.1078 118.3862 56.6596 31.6213 177.2879 29 L 4.0266 7.5896 118.9357 54.4915 42.2680 175.9438 30 P 4.1528 0.0000 0.0000 61.7500 32.2136 173.6396 31 P 4.0511 0.0000 0.0000 65.1737 31.3596 177.5911 32 G 3.9210 9.3568 116.2132 45.8688 0.0000 172.5769 33 V 4.2170 7.2782 116.3201 60.6996 35.0987 173.5413 34 D 4.7891 8.2629 124.1539 52.3176 44.3367 175.9490 35 R 3.9931 8.7515 123.4895 59.6091 30.3800 177.8006 36 M 4.2093 8.1167 117.2855 58.1519 32.3503 177.6801 37 R 5.1087 7.8822 114.2704 53.5432 30.0378 177.2338 38 L 4.1486 8.2159 120.7605 58.8032 41.7215 177.8591 39 E 4.3738 8.0919 114.9056 57.4692 29.3519 177.4677 40 R 3.9491 7.5814 118.1571 56.4882 31.7758 176.0175 41 H 4.5025 7.9570 114.6250 56.1039 29.2209 174.8756 42 L 4.6764 7.2138 121.2154 53.9015 42.6297 177.3144 43 S 4.4186 8.6309 117.0692 57.7263 65.3904 174.9967 44 A 3.9420 8.5851 123.3605 55.4807 17.8999 179.8659 45 E 3.9006 8.1134 116.3815 59.6817 29.2707 178.7625 46 D 4.4204 7.9242 118.5043 57.5295 41.0009 178.7182 47 F 4.4772 9.0713 121.2826 61.6521 39.5405 177.0448 48 S 4.3478 8.3288 111.9060 60.2959 61.8871 175.6173 49 R 4.0029 7.5674 120.3511 58.9845 30.3163 177.7611 50 V 3.4349 7.8967 117.0426 64.5802 31.5932 177.0192 51 F 4.3454 8.5730 115.9591 56.8211 40.0268 176.7069 52 A 4.4953 8.2206 117.3566 53.0965 15.7922 176.7301 53 M 5.0338 7.3514 112.9666 53.9943 34.6338 175.3529 54 S 4.5122 8.9257 116.1585 57.8545 63.6508 173.8949 55 P 3.6114 0.0000 0.0000 65.7039 31.2641 178.3022 56 E 4.1094 8.1945 116.3298 59.1183 29.5808 178.5728 57 E 3.9206 8.3736 119.7627 59.4123 29.5337 178.7108 58 F 3.8997 8.6220 119.9616 61.7812 39.1137 177.4396 59 G 3.7255 7.6886 103.1970 47.3516 0.0000 174.6240 60 K 4.3741 7.8172 117.6984 57.3886 32.9052 178.2037 61 L 4.2937 8.0802 126.9899 54.7877 40.9639 176.2319 62 A 4.5238 7.3088 126.1059 50.1933 23.3324 176.3191 63 L 3.6303 8.0323 121.6165 57.6717 42.0114 178.8218 64 W 4.3227 7.2834 116.3103 58.8794 28.5347 178.1680 65 K 3.6187 5.7386 120.0026 58.9397 31.6093 178.4770 66 R 2.7827 7.9335 118.6731 59.6802 30.0532 178.2766 67 N 4.4837 7.8740 115.6438 56.2386 38.4834 176.8684 68 E 3.8921 8.7360 119.8320 59.9943 29.3805 179.7658 69 L 4.0277 8.4337 119.0579 57.8728 41.8734 179.6299 70 K 4.2070 8.9162 118.3605 59.5827 31.8395 179.4111 71 K 4.1793 8.6356 118.3210 58.3201 32.1418 178.3304 72 K 4.2604 8.2987 119.5223 57.8359 32.4155 177.4544 73 A 4.0838 8.7462 119.0789 51.9020 18.2789 177.4778 74 E 3.9269 8.1152 115.6642 56.9052 28.0612 174.7246 75 L 5.0986 8.0793 117.7194 54.1764 40.2740 176.1588 76 F 4.6354 8.1555 125.5137 59.0076 39.5513 174.5551 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 9 P 0.00 4.31 0.00 2.17 2.10 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 10 G 8.85 3.70 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 0.00 0.00 0.00 11 L 7.78 4.81 0.00 1.66 1.60 0.76 0.25 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 12 Q 8.51 4.05 0.00 1.80 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.83 0.00 0.00 0.00 0.00 0.00 2.52 2.92 0.00 13 I 7.58 5.12 1.72 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 1.37 0.40 0.90 0.00 0.00 14 Y 8.23 4.94 0.00 2.82 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 15 P 0.00 4.68 0.00 2.00 2.10 0.00 3.92 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 16 Y 9.00 4.38 0.00 3.21 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 17 E 8.23 3.46 0.00 2.01 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 2.32 2.49 0.00 18 M 7.93 4.17 0.00 1.92 2.14 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 2.61 2.60 0.00 19 L 7.45 4.44 0.00 1.82 1.76 1.22 0.83 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 20 V 6.88 3.63 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 0.66 0.00 0.00 0.33 0.00 0.00 21 V 7.75 3.93 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 0.83 0.00 0.00 0.96 0.00 0.00 22 T 7.51 4.99 4.27 0.00 0.00 0.00 0.00 0.00 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 23 N 8.33 4.29 0.00 2.69 2.96 0.00 0.00 6.92 7.67 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 24 K 9.11 4.61 0.00 1.56 1.74 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.39 7.81 25 G 6.30 3.99 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 26 R 7.47 5.02 0.00 1.84 1.84 0.00 2.73 0.00 0.00 4.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 27 T 7.45 4.67 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 1.18 0.00 0.00 28 K 8.11 4.50 0.00 1.67 1.77 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.48 7.81 29 L 7.59 4.03 0.00 1.47 1.48 0.95 0.85 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 30 P 0.00 4.15 0.00 0.49 1.08 0.00 3.42 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.78 0.00 31 P 0.00 4.05 0.00 2.00 2.03 0.00 3.17 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 32 G 9.36 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 33 V 7.28 4.22 1.97 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 0.75 0.00 0.00 0.76 0.00 0.00 34 D 8.26 4.79 0.00 2.72 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.75 3.99 0.00 1.78 1.96 0.00 3.31 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 36 M 8.12 4.21 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.51 0.00 37 R 7.88 5.11 0.00 1.79 1.98 0.00 3.19 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 38 L 8.22 4.15 0.00 1.78 1.87 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.09 4.37 0.00 1.65 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 0.00 1.47 1.47 0.00 40 R 7.58 3.95 0.00 1.56 1.71 0.00 3.21 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.51 0.00 41 H 7.96 4.50 0.00 3.45 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.21 4.68 0.00 1.86 1.91 1.51 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.63 4.42 0.00 4.06 4.02 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 0.00 0.00 0.00 44 A 8.59 3.94 1.37 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 45 E 8.11 3.90 0.00 2.07 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 2.43 2.44 0.00 46 D 7.92 4.42 0.00 3.06 2.96 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 47 F 9.07 4.48 0.00 3.12 3.10 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 0.00 0.00 0.00 48 S 8.33 4.35 0.00 4.14 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.57 4.00 0.00 1.93 2.10 0.00 3.32 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 1.52 1.55 0.00 50 V 7.90 3.43 1.59 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 0.31 0.00 0.00 -0.12 0.00 0.00 51 F 8.57 4.35 0.00 2.26 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 52 A 8.22 4.50 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 53 M 7.35 5.03 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 54 S 8.93 4.51 0.00 4.00 3.88 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 0.00 0.00 0.00 55 P 0.00 3.61 0.00 1.83 1.58 0.00 3.72 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.83 0.00 56 E 8.19 4.11 0.00 2.19 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 0.00 2.38 2.41 0.00 57 E 8.37 3.92 0.00 2.37 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 0.00 2.36 2.37 0.00 58 F 8.62 3.90 0.00 3.26 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 59 G 7.69 3.73 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 0.00 0.00 0.00 60 K 7.82 4.37 0.00 1.85 1.84 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.58 7.81 61 L 8.08 4.29 0.00 1.40 0.99 0.54 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.31 4.52 0.22 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 63 L 8.03 3.63 0.00 1.71 1.72 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 64 W 7.28 4.32 0.00 3.81 3.34 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 65 K 5.74 3.62 0.00 0.79 1.07 0.00 1.40 0.00 0.00 1.40 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.11 1.27 7.81 66 R 7.93 2.78 0.00 1.79 2.19 0.00 3.30 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.53 0.00 67 N 7.87 4.48 0.00 3.02 2.75 0.00 0.00 7.36 7.57 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 68 E 8.74 3.89 0.00 2.30 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 0.00 2.38 2.42 0.00 69 L 8.43 4.03 0.00 2.15 2.24 -0.04 0.88 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 70 K 8.92 4.21 0.00 2.48 2.30 0.00 1.96 0.00 0.00 1.99 0.00 0.00 3.14 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.94 2.06 7.81 71 K 8.64 4.18 0.00 1.67 1.68 0.00 1.03 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 0.85 7.81 72 K 8.30 4.26 0.00 1.73 1.84 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.54 7.81 73 A 8.75 4.08 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 3.93 0.00 2.44 2.15 0.00 0.00 0.00 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 2.36 0.00 75 L 8.08 5.10 0.00 1.86 1.73 1.28 0.80 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 76 F 8.16 4.64 0.00 3.04 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