NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 3.9017 7.9133 120.5969 62.7197 33.0999 173.9783 3 F 5.0103 8.5679 125.8746 54.9186 41.1582 173.3834 4 K 4.4758 9.0113 123.7739 54.3866 35.8944 174.5128 5 K 5.0378 8.4367 123.9252 54.6660 35.0601 175.7564 6 V 4.4745 8.7160 116.7917 59.5367 34.9111 174.8293 7 L 4.9653 8.5480 126.5321 53.8750 42.6269 175.1847 8 L 4.8717 8.9389 126.8306 53.0871 45.3837 175.9866 9 T 4.9386 8.5842 119.4038 61.9669 70.0806 174.4331 10 G 4.7119 9.1688 114.6293 45.0078 0.0000 172.0678 11 T 5.4278 8.8054 110.8024 60.1209 72.1948 173.1839 12 S 4.6560 8.8471 115.8073 57.5255 66.1907 174.5922 13 E 4.5507 8.9974 124.5824 56.9637 29.7383 176.3890 14 E 4.5250 8.4702 118.5307 57.3842 31.5468 176.7036 15 S 3.9090 7.2507 110.7795 56.0509 66.7120 175.4833 16 F 4.4505 8.0042 121.3213 60.9825 38.6777 178.0355 17 T 3.8972 8.0241 114.7477 66.7731 68.3881 176.3998 18 A 4.0589 8.3432 122.4880 54.9333 18.3151 179.5654 19 A 4.0191 8.3015 119.4132 55.1698 18.4565 179.6754 20 A 3.9907 8.1746 119.4107 55.5219 18.4997 179.5955 21 D 4.3533 8.2650 117.3989 57.4286 40.9695 178.4743 22 D 4.3262 8.1955 118.3930 57.3069 41.2387 178.2670 23 A 4.0127 7.9421 120.7102 55.2872 18.4106 179.5489 24 I 3.6894 7.8678 118.3554 64.4346 37.2566 178.2388 25 D 4.3570 8.6122 120.1993 57.5123 40.3116 178.9962 26 R 4.0144 7.9010 118.3123 59.3191 30.0868 178.2996 27 A 3.8219 8.0474 120.5485 55.3598 18.1965 179.5157 28 E 3.9612 8.2833 115.6927 59.1388 29.5303 178.9501 29 D 4.4965 7.7695 118.5139 56.4493 40.9143 177.0478 30 T 4.4831 7.3018 106.6056 60.8456 70.6984 174.0067 31 L 4.6069 7.6816 121.1997 52.7586 44.7136 175.6306 32 D 4.7236 8.3371 121.1295 54.3056 42.5369 175.6559 33 N 4.2455 8.6404 115.9139 54.3870 35.6633 174.8563 34 V 4.1680 7.9776 117.6072 63.3021 32.2845 175.0278 35 V 4.5845 8.6510 120.9976 62.4631 34.0707 175.5970 36 W 5.1254 7.4073 114.6035 55.6662 31.2898 173.2182 37 A 5.2132 8.7586 120.8920 50.2602 22.0344 175.1314 38 E 4.7610 9.1071 120.2077 54.3324 32.5817 175.7256 39 V 4.2643 8.5526 124.9877 63.1299 31.8083 175.8359 40 V 4.4375 8.5577 120.0319 61.3331 33.8289 175.0044 41 D 4.5758 7.5834 117.6256 53.6463 44.3411 174.1297 42 Q 4.9869 8.4748 121.0932 54.7047 33.1543 174.1716 43 G 4.2643 9.0222 108.1411 45.8844 0.0000 171.8626 44 V 4.9292 8.1724 118.8536 61.0938 34.4531 174.0672 45 E 4.3101 9.1667 129.8807 55.8619 30.4407 175.3716 46 I 4.1150 8.6533 125.5018 62.6987 39.8807 177.6247 47 G 4.0896 7.7380 106.9073 44.1058 0.0000 174.0892 48 A 4.5546 7.4957 115.5145 52.6515 22.7388 176.8307 49 V 4.5746 7.3242 108.7251 59.3694 35.4425 175.8857 50 E 4.0835 8.9083 121.7880 58.9561 29.6230 177.3765 51 E 4.6702 7.6979 116.1416 53.8628 31.8516 175.8547 52 R 3.9759 8.4204 121.0405 57.4477 30.9880 176.0192 53 T 4.3948 8.3085 119.1826 61.7478 71.4202 173.1475 54 Y 4.6241 8.5612 125.4551 57.8597 39.5010 174.9327 55 Q 5.1971 9.7048 121.6793 54.5610 33.3203 174.4657 56 T 5.0118 8.8648 119.1306 61.8637 72.4347 172.3316 57 E 5.0409 9.3910 128.3342 54.8986 31.6089 175.0833 58 V 5.0075 8.8996 119.6107 59.5866 36.2421 174.7931 59 Q 4.5824 8.9395 123.8274 55.5873 29.9559 175.0425 60 V 4.5065 8.9215 125.6542 61.2317 33.4167 174.3132 61 A 4.8429 8.5346 130.8689 50.4669 20.4956 175.7631 62 F 5.3434 8.4456 116.2139 54.9941 41.9442 173.2540 63 E 4.6771 9.1886 122.6130 55.5164 30.2343 176.0176 64 L 4.2420 8.5336 127.7532 55.6241 42.8180 176.9703 65 D 4.8786 8.7124 120.8687 54.7628 40.2514 174.4673 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 2 V 7.91 3.90 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 0.90 0.00 0.00 0.85 0.00 0.00 3 F 8.57 5.01 0.00 3.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.01 4.48 0.00 1.35 0.74 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.11 1.22 7.81 5 K 8.44 5.04 0.00 1.58 1.79 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.08 1.21 7.81 6 V 8.72 4.47 2.13 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 0.87 0.00 0.00 1.03 0.00 0.00 7 L 8.55 4.97 0.00 1.75 1.61 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.94 4.87 0.00 1.59 1.50 0.93 0.82 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 9 T 8.58 4.94 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 1.24 0.00 0.00 10 G 9.17 4.71 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 11 T 8.81 5.43 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 1.23 0.00 0.00 12 S 8.85 4.66 0.00 3.97 3.91 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 0.00 0.00 0.00 13 E 9.00 4.55 0.00 2.02 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 2.26 2.32 0.00 14 E 8.47 4.53 0.00 1.90 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 2.26 2.35 0.00 15 S 7.25 3.91 0.00 3.82 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 16 F 8.00 4.45 0.00 3.14 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 17 T 8.02 3.90 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 1.23 0.00 0.00 18 A 8.34 4.06 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 19 A 8.30 4.02 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 3.99 1.41 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 21 D 8.27 4.35 0.00 2.94 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.20 4.33 0.00 2.93 2.89 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 23 A 7.94 4.01 1.41 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 24 I 7.87 3.69 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.83 0.92 0.00 0.00 25 D 8.61 4.36 0.00 2.86 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 R 7.90 4.01 0.00 1.95 2.05 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 27 A 8.05 3.82 1.33 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 0.00 0.00 0.00 28 E 8.28 3.96 0.00 2.04 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 2.33 2.50 0.00 29 D 7.77 4.50 0.00 2.85 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 30 T 7.30 4.48 4.15 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 0.00 0.00 1.16 0.00 0.00 31 L 7.68 4.61 0.00 1.38 1.00 0.12 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.34 4.72 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.64 4.25 0.00 3.19 3.02 0.00 0.00 6.59 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 34 V 7.98 4.17 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 0.87 0.00 0.00 35 V 8.65 4.58 2.41 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 0.97 0.00 0.00 0.97 0.00 0.00 36 W 7.41 5.13 0.00 3.28 3.18 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 0.00 0.00 0.00 37 A 8.76 5.21 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 38 E 9.11 4.76 0.00 1.99 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 2.41 2.62 0.00 39 V 8.55 4.26 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 0.74 0.00 0.00 0.95 0.00 0.00 40 V 8.56 4.44 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 0.79 0.00 0.00 1.03 0.00 0.00 41 D 7.58 4.58 0.00 2.92 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.99 0.00 1.49 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.47 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 43 G 9.02 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 0.00 0.00 0.00 0.00 44 V 8.17 4.93 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 0.56 0.00 0.00 1.19 0.00 0.00 45 E 9.17 4.31 0.00 2.08 1.72 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 2.24 2.28 0.00 46 I 8.65 4.11 1.85 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 1.29 0.89 0.89 0.00 0.00 47 G 7.74 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.50 4.55 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.32 4.57 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 0.75 0.00 0.00 0.99 0.00 0.00 50 E 8.91 4.08 0.00 1.94 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 0.00 2.30 2.31 0.00 51 E 7.70 4.67 0.00 1.90 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 2.28 0.00 52 R 8.42 3.98 0.00 1.47 1.35 0.00 3.14 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 53 T 8.31 4.39 4.12 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 1.16 0.00 0.00 54 Y 8.56 4.62 0.00 2.93 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.70 5.20 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 56 T 8.86 5.01 4.42 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 1.25 0.00 0.00 57 E 9.39 5.04 0.00 2.02 1.81 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 2.25 2.41 0.00 58 V 8.90 5.01 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 0.77 0.00 0.00 0.95 0.00 0.00 59 Q 8.94 4.58 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 60 V 8.92 4.51 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 0.97 0.00 0.00 0.93 0.00 0.00 61 A 8.53 4.84 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.45 5.34 0.00 3.34 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 63 E 9.19 4.68 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.89 0.00 64 L 8.53 4.24 0.00 1.51 1.53 0.83 0.97 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 65 D 8.71 4.88 0.00 2.77 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