NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3881 8.3001 120.3269 53.0682 34.7599 175.5456 2 A 5.3504 7.9047 135.0000 52.8019 21.3200 174.7769 3 E 4.4596 7.0580 122.5738 55.2046 29.7188 174.7891 4 K 4.9201 8.0855 122.0630 56.4037 34.6130 176.5967 5 T 4.7784 8.9802 118.5570 62.2952 73.4842 172.9604 6 V 5.1098 8.1227 122.7713 60.2756 34.9147 173.9006 7 Y 5.0778 9.2462 120.5949 56.2574 41.9280 174.9986 8 R 4.9014 8.9940 121.6938 55.7342 31.7571 175.9778 9 V 4.8790 8.1566 121.8192 60.1670 32.9837 174.3921 10 D 4.3280 8.7581 120.4422 53.9962 44.6367 173.7378 11 G 3.4134 8.9860 115.9351 45.8620 0.0000 175.1286 12 L 4.2435 7.1640 120.4275 54.8615 42.1866 177.1659 13 S 4.6626 7.8882 106.8673 56.2284 63.6480 174.1946 14 C 4.6656 7.5423 121.7785 57.0388 35.3408 173.0663 15 T 3.9249 8.8230 125.1740 67.0855 68.0750 175.9557 16 N 4.3493 8.2235 117.5736 56.6927 38.5951 177.1090 17 C 4.2872 8.1797 117.2582 62.6099 28.3026 175.4727 18 A 3.7215 8.5227 122.5835 55.2572 17.9043 179.4873 19 A 3.8821 8.3978 119.2024 55.3398 18.5467 179.5751 20 K 3.7893 8.4021 118.4728 59.6870 32.0500 178.6605 21 F 4.2878 8.8191 121.4022 61.3241 39.4279 176.7910 22 E 3.7997 8.4582 117.7226 59.4413 29.1158 179.0166 23 R 3.7678 8.1079 119.4955 59.1878 29.9769 177.8394 24 N 4.1958 8.2084 115.2115 56.5308 38.8343 177.1091 25 V 3.5371 7.7004 119.3039 66.0645 31.4137 177.9621 26 K 3.8602 8.0900 117.0218 59.6752 32.0235 178.4661 27 E 4.1444 8.3282 116.2228 56.6205 29.8239 177.0550 28 I 4.1259 7.3129 121.4217 60.6708 38.0066 176.1073 29 E 4.1786 8.7001 123.6769 58.5984 30.0519 178.2537 30 G 3.8715 8.0443 106.1894 48.2200 0.0000 174.2658 31 V 4.4747 7.6995 118.9927 61.5103 32.7204 175.6830 32 T 4.4731 8.4826 116.3274 64.9662 70.6958 174.1187 33 E 4.8976 8.6471 119.2356 54.7354 34.0731 174.3817 34 A 5.0013 8.2161 120.9128 51.0265 22.5759 176.2409 35 I 4.3987 9.0535 121.7884 59.8078 40.7709 175.0250 36 V 4.4076 8.4189 121.4180 59.8539 32.6053 177.0249 37 N 4.9263 9.1334 127.3343 51.9886 36.8404 174.9831 38 F 4.6673 8.2389 119.4682 57.4470 40.4172 173.9331 39 G 3.6451 8.0257 114.3059 44.5843 0.0000 175.1918 40 A 4.6551 7.3281 119.2156 49.7669 21.9920 174.8831 41 S 4.8432 7.5130 128.1377 57.9350 70.0800 179.1799 42 K 5.0126 7.6087 128.6087 56.8827 36.6676 174.3258 43 I 5.1171 9.1794 120.7965 59.8104 41.0151 173.9474 44 T 4.9299 9.1449 127.6114 62.7330 70.1118 174.2644 45 V 4.8036 9.0895 125.9224 61.5813 35.0503 174.5478 46 T 4.7983 9.4301 122.9132 62.6819 72.7195 174.0985 47 G 4.5494 8.4211 120.3450 45.6535 0.0000 174.0948 48 E 4.6463 5.9000 119.7521 54.8180 31.0025 171.9235 49 A 4.8332 7.5944 120.9001 50.7322 22.9872 175.2618 50 S 4.9744 8.0731 113.7112 55.9489 66.8666 175.3650 51 I 3.2845 8.2735 121.8502 64.5649 37.1988 178.5160 52 Q 4.0700 7.6676 119.8252 59.4120 28.5900 179.8221 53 Q 3.9327 7.7709 118.6571 58.7745 28.6533 178.8771 54 V 3.2874 7.5617 118.7804 65.7920 31.1129 177.1393 55 E 3.9492 8.5470 119.3726 59.5347 29.3218 178.3392 56 Q 3.9502 8.2844 119.1949 59.4173 28.9061 178.1611 57 A 4.1716 8.3039 121.9257 55.4586 18.3298 179.3545 58 G 3.4289 8.5556 101.9979 45.7642 0.0000 175.0900 59 A 4.0212 8.2135 124.3326 55.1005 18.0038 179.4573 60 F 4.4509 7.7957 112.5958 59.5496 37.7602 175.9176 61 E 4.5059 7.7634 114.7777 55.0931 31.1942 174.9106 62 H 4.0424 7.6426 113.5163 56.7542 26.2787 175.2845 63 L 4.0332 7.6006 117.8660 54.4819 42.6935 176.8722 64 K 4.5669 7.8966 121.0083 55.2392 34.8109 174.9725 65 I 4.8847 8.3702 125.1175 59.4797 39.7302 174.7028 66 I 4.6109 8.7466 128.9683 58.4476 39.5624 173.2742 67 P 4.5466 0.0000 0.0000 62.2297 31.4013 177.5487 68 E 4.1538 7.6466 129.8051 55.7256 27.4915 177.8340 69 K 3.9863 7.5566 120.0760 55.8015 32.3090 175.6468 70 E 3.7480 8.6139 127.1267 57.5351 30.0561 176.6471 71 A 4.0368 8.5778 126.6832 52.7868 18.6240 177.2878 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 1 M 8.30 4.39 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 2 A 7.90 5.35 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 3 E 7.06 4.46 0.00 1.93 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 2.26 0.00 4 K 8.09 4.92 0.00 1.76 1.81 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.45 7.81 5 T 8.98 4.78 4.22 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 0.42 0.00 0.00 6 V 8.12 5.11 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 0.82 0.00 0.00 1.04 0.00 0.00 7 Y 9.25 5.08 0.00 2.85 3.01 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 8 R 8.99 4.90 0.00 1.79 1.84 0.00 3.07 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 9 V 8.16 4.88 1.99 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 0.44 0.00 0.00 0.29 0.00 0.00 10 D 8.76 4.33 0.00 2.70 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.99 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.16 4.24 0.00 1.67 1.59 0.37 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.89 4.66 0.00 3.75 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 14 C 7.54 4.67 0.00 3.01 2.77 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 0.00 0.00 0.00 0.00 15 T 8.82 3.92 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 1.24 0.00 0.00 16 N 8.22 4.35 0.00 2.83 2.87 0.00 0.00 7.12 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 17 C 8.18 4.29 0.00 3.31 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 18 A 8.52 3.72 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.40 3.88 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 20 K 8.40 3.79 0.00 1.79 1.97 0.00 1.33 0.00 0.00 0.75 0.00 0.00 2.13 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.20 1.32 7.81 21 F 8.82 4.29 0.00 3.34 2.71 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 22 E 8.46 3.80 0.00 2.13 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 2.48 2.35 0.00 23 R 8.11 3.77 0.00 1.90 2.14 0.00 3.10 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 24 N 8.21 4.20 0.00 2.81 2.76 0.00 0.00 7.29 7.95 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 25 V 7.70 3.54 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 1.09 0.00 0.00 0.49 0.00 0.00 26 K 8.09 3.86 0.00 1.89 1.85 0.00 1.84 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.51 7.81 27 E 8.33 4.14 0.00 2.00 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 0.00 2.32 2.45 0.00 28 I 7.31 4.13 1.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.72 0.93 0.00 0.00 29 E 8.70 4.18 0.00 1.95 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 2.29 2.29 0.00 30 G 8.04 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 V 7.70 4.47 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 0.90 0.00 0.00 1.01 0.00 0.00 32 T 8.48 4.47 4.33 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 1.21 0.00 0.00 33 E 8.65 4.90 0.00 1.82 1.79 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 2.20 2.22 0.00 34 A 8.22 5.00 1.17 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 35 I 9.05 4.40 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 1.24 0.82 0.93 0.00 0.00 36 V 8.42 4.41 1.68 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 0.64 0.00 0.00 0.61 0.00 0.00 37 N 9.13 4.93 0.00 2.83 2.83 0.00 0.00 6.82 7.99 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 38 F 8.24 4.67 0.00 3.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.03 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.33 4.66 1.20 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 0.00 0.00 41 S 7.51 4.84 0.00 3.95 3.12 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 0.00 0.00 0.00 42 K 7.61 5.01 0.00 2.06 1.92 0.00 1.29 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 43 I 9.18 5.12 2.30 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 1.46 2.42 1.18 0.00 0.00 44 T 9.14 4.93 4.38 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 1.29 0.00 0.00 45 V 9.09 4.80 2.32 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 1.16 0.00 0.00 0.97 0.00 0.00 46 T 9.43 4.80 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 1.22 0.00 0.00 47 G 8.42 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 5.90 4.65 0.00 1.92 1.84 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 2.24 2.26 0.00 49 A 7.59 4.83 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.07 4.97 0.00 3.87 3.80 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 51 I 8.27 3.28 0.56 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.00 0.70 0.00 0.00 52 Q 7.67 4.07 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 53 Q 7.77 3.93 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 54 V 7.56 3.29 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 0.80 0.00 0.00 0.78 0.00 0.00 55 E 8.55 3.95 0.00 2.10 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 0.00 2.30 2.32 0.00 56 Q 8.28 3.95 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.49 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 57 A 8.30 4.17 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 58 G 8.56 3.43 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 0.00 59 A 8.21 4.02 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 60 F 7.80 4.45 0.00 2.99 3.24 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.76 4.51 0.00 1.82 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 0.00 2.29 2.52 0.00 62 H 7.64 4.04 0.00 3.32 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.60 4.03 0.00 1.37 1.31 0.68 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.90 4.57 0.00 1.95 1.88 0.00 1.19 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.37 7.81 65 I 8.37 4.88 1.82 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 0.96 0.00 0.00 66 I 8.75 4.61 1.90 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 1.30 0.75 0.94 0.00 0.00 67 P 0.00 4.55 0.00 2.07 2.26 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 68 E 7.65 4.15 0.00 2.00 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 2.25 0.00 69 K 7.56 3.99 0.00 1.73 1.73 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.39 7.81 70 E 8.61 3.75 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 71 A 8.58 4.04 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