NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3397 8.2629 120.3442 54.7409 32.3854 175.2209 2 K 3.8090 8.2934 128.0148 55.1961 32.0256 173.2043 3 G 4.0006 8.7773 109.8986 45.6477 0.0000 175.0160 4 M 4.1449 7.5883 117.9300 57.4406 31.4470 178.9402 5 S 4.1567 8.0117 113.9129 60.8627 63.3695 175.0917 6 K 4.2522 7.4815 116.7243 56.7737 32.3123 177.0297 7 M 4.2815 7.2878 118.0273 53.9669 32.4706 174.4623 8 P 4.3377 0.0000 0.0000 63.2114 31.9779 175.9081 9 Q 4.5505 8.2185 119.3474 54.7718 30.7592 175.7177 10 V 4.2320 7.8646 118.9936 62.2486 34.0207 172.9902 11 N 4.7667 8.6178 125.0097 51.8618 40.0387 174.5410 12 L 4.5376 7.8984 121.4097 53.5968 43.7206 177.3111 13 R 4.5956 7.9685 118.9525 54.4046 31.0615 174.4081 14 W 5.0539 7.8456 120.3807 53.8793 32.1717 174.9719 15 P 4.4642 0.0000 0.0000 62.6453 32.6177 177.8805 16 R 3.9590 8.7345 120.5157 59.5877 29.9109 179.0467 17 E 3.9206 8.1886 117.6756 59.4959 29.5865 179.1163 18 V 3.6113 7.8753 117.4333 66.2338 31.5054 177.7827 19 L 4.1306 8.2562 118.5063 58.2070 41.5285 179.3783 20 D 4.3962 8.6476 119.0614 57.1492 40.5980 178.7194 21 L 3.9523 8.3325 121.3083 57.9736 42.0462 179.0454 22 V 3.6093 7.9324 118.1463 66.2738 31.4485 177.9036 23 R 3.8616 8.0965 117.7073 59.5027 29.8977 178.5116 24 K 3.8669 8.0917 119.0294 59.8164 32.1111 178.8606 25 V 3.5825 8.3129 118.2701 65.7767 31.4038 177.9937 26 A 4.2624 8.6100 122.5047 54.8552 18.3870 179.4677 27 E 3.9547 8.4658 117.1718 59.5411 29.2600 179.5387 28 E 4.0084 8.0854 117.9036 59.2339 29.6465 178.2515 29 N 4.7819 8.3013 113.5992 52.4650 38.7758 175.7596 30 G 3.8731 7.6355 107.8308 46.2160 0.0000 173.8264 31 R 4.5480 7.6924 118.7395 54.1272 32.6990 176.2768 32 S 4.6069 8.0645 113.5691 57.6302 65.8962 175.2174 33 V 3.7446 8.1820 121.7348 65.9550 31.2234 177.8169 34 N 4.2528 8.0265 116.4576 56.9468 38.9715 177.0018 35 S 4.2826 8.7037 116.8618 61.2491 62.3240 176.2019 36 E 3.9141 8.7469 122.5471 59.4285 29.3795 178.9281 37 I 3.7565 7.6752 119.2848 64.5049 37.2281 177.4533 38 Y 4.2303 7.9898 120.3394 61.1145 38.4557 178.2856 39 Q 3.7680 8.5807 118.8185 59.2659 29.0217 179.4706 40 R 3.8339 7.9621 118.7633 58.9676 29.9930 179.4846 41 V 3.2956 8.0279 120.9457 66.8471 31.5544 178.6701 42 M 3.9111 7.8962 120.4323 59.6255 30.9652 179.9612 43 E 4.0824 8.2445 120.2122 59.1404 29.7896 179.1115 44 S 4.0738 7.7003 114.1844 61.3749 62.9548 176.5726 45 F 4.6750 8.0477 123.9295 60.8261 38.6602 178.3118 46 K 4.0704 8.4819 125.8922 60.6251 31.3734 181.8567 47 K 4.3943 8.2626 126.2549 59.5606 31.6423 180.5838 48 E 4.6933 8.1132 115.4571 57.0912 30.1736 180.2094 49 G 4.1887 8.0470 108.9833 48.6419 0.0000 174.8989 50 R 4.1736 8.2190 122.2263 55.8673 30.0578 177.8621 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 8.26 4.34 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 2 K 8.29 3.81 0.00 1.90 1.59 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.07 7.81 3 G 8.78 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 7.59 4.14 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 5 S 8.01 4.16 0.00 3.98 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 6 K 7.48 4.25 0.00 1.79 1.87 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.53 7.81 7 M 7.29 4.28 0.00 2.00 2.11 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 2.82 2.43 0.00 8 P 0.00 4.34 0.00 2.17 2.05 0.00 3.72 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 1.98 1.99 0.00 9 Q 8.22 4.55 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 10 V 7.86 4.23 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 0.73 0.00 0.00 0.94 0.00 0.00 11 N 8.62 4.77 0.00 2.69 2.65 0.00 0.00 7.10 7.85 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 12 L 7.90 4.54 0.00 1.10 0.74 0.65 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.97 4.60 0.00 1.80 1.86 0.00 3.20 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 14 W 7.85 5.05 0.00 3.30 2.97 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 15 P 0.00 4.46 0.00 2.18 1.99 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 16 R 8.73 3.96 0.00 1.87 2.02 0.00 3.15 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 17 E 8.19 3.92 0.00 2.02 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 2.39 0.00 18 V 7.88 3.61 2.35 0.00 0.00 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 0.88 0.00 0.00 19 L 8.26 4.13 0.00 2.04 1.76 0.93 1.18 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 20 D 8.65 4.40 0.00 2.81 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 21 L 8.33 3.95 0.00 1.87 1.78 0.92 1.04 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 22 V 7.93 3.61 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.20 0.00 0.00 23 R 8.10 3.86 0.00 2.08 2.00 0.00 3.20 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 24 K 8.09 3.87 0.00 2.01 2.02 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 25 V 8.31 3.58 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 1.10 0.00 0.00 0.98 0.00 0.00 26 A 8.61 4.26 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 27 E 8.47 3.95 0.00 2.23 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 2.33 2.50 0.00 28 E 8.09 4.01 0.00 2.08 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 2.35 2.55 0.00 29 N 8.30 4.78 0.00 2.83 2.85 0.00 0.00 7.07 8.22 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 30 G 7.64 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 R 7.69 4.55 0.00 1.83 1.90 0.00 3.20 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 32 S 8.06 4.61 0.00 4.03 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 33 V 8.18 3.74 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 1.00 0.00 0.00 0.93 0.00 0.00 34 N 8.03 4.25 0.00 2.83 2.76 0.00 0.00 7.25 7.63 0.00 0.00 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 S 8.70 4.28 0.00 3.89 3.96 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 36 E 8.75 3.91 0.00 2.14 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 0.00 2.34 2.44 0.00 37 I 7.68 3.76 1.90 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.72 1.01 0.00 0.00 38 Y 7.99 4.23 0.00 3.13 3.14 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 0.00 0.00 0.00 39 Q 8.58 3.77 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 2.73 2.60 0.00 40 R 7.96 3.83 0.00 1.98 1.94 0.00 3.15 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 41 V 8.03 3.30 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 0.48 0.00 0.00 0.94 0.00 0.00 42 M 7.90 3.91 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 43 E 8.24 4.08 0.00 2.10 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 2.27 2.28 0.00 44 S 7.70 4.07 0.00 4.05 4.06 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 45 F 8.05 4.68 0.00 3.23 3.02 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 46 K 8.48 4.07 0.00 1.75 1.82 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.33 7.81 47 K 8.26 4.39 0.00 1.84 1.76 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.33 7.81 48 E 8.11 4.69 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 49 G 8.05 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.22 4.17 0.00 1.79 1.66 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00