NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.1012 8.4401 120.2173 56.0699 30.5449 174.1510 2 A 3.7472 8.1379 123.9381 52.6602 18.4038 175.5356 3 E 3.9691 9.3505 125.1149 59.6175 30.8682 173.2836 4 A 4.0314 6.9100 124.5927 52.3603 17.8643 176.6460 5 E 4.2146 9.0335 121.5955 57.9073 30.5676 177.9580 6 F 4.5674 8.0349 119.5386 57.9512 40.1567 174.4967 7 T 3.6606 5.7900 116.3778 63.8197 66.6651 172.9761 8 D 4.5286 8.2335 125.8870 53.3782 42.4635 176.9350 9 A 4.1190 8.9464 127.8317 55.7744 18.1527 180.5199 10 C 4.0677 8.6173 115.9047 59.1377 43.6963 175.0603 11 V 3.8137 7.5856 117.4152 62.0021 31.8909 175.0169 12 L 4.6592 7.0718 119.9002 52.7469 43.8079 173.9684 13 P 4.4322 0.0000 0.0000 61.9007 32.1752 175.7781 14 A 3.8459 7.9842 121.4352 51.9188 18.7075 177.1413 15 V 4.5298 7.9116 119.4484 61.2608 34.5568 175.7127 16 Q 4.4938 9.0425 126.0094 58.0453 29.1700 176.2753 17 G 4.5249 8.5652 100.8638 44.9514 0.0000 171.3159 18 P 4.4077 0.0000 0.0000 64.2573 31.7376 177.3240 19 C 4.5309 7.6622 116.2499 56.5606 41.5384 173.0204 20 R 3.2766 7.7381 116.3981 55.4368 31.6741 175.9422 21 G 3.4927 6.9384 105.8930 45.5400 0.0000 172.9034 22 W 5.8858 8.1775 119.4941 54.7883 32.7301 174.4800 23 E 4.7959 9.5092 126.0110 53.4319 32.2893 172.8924 24 P 4.7528 0.0000 0.0000 63.2081 32.3983 175.6215 25 R 4.8082 8.4390 121.0906 54.6065 35.4024 173.4057 26 W 5.4004 9.4058 118.4620 55.3634 32.6923 175.1417 27 A 5.4252 9.1033 124.2976 50.4241 22.2138 174.6479 28 Y 4.5319 9.5095 122.4138 57.5160 40.5927 174.5716 29 S 4.6820 7.7824 122.7196 55.9458 65.0162 173.4383 30 P 4.2697 0.0000 0.0000 65.5254 31.4702 178.5037 31 L 4.0838 7.8264 117.2610 56.3946 41.5923 177.2584 32 L 4.4089 7.3993 116.0609 53.4713 42.8457 176.0026 33 Q 3.4469 7.8301 117.4481 55.2562 28.2158 171.9953 34 Q 4.7835 7.1902 115.3342 54.9667 33.0854 172.6603 35 C 5.3004 8.8734 119.7503 57.1163 42.9012 172.6809 36 H 5.2031 8.7924 115.2712 53.6369 31.8360 171.2435 37 P 4.1894 0.0000 0.0000 62.9282 32.2070 174.7397 38 F 4.7747 8.6740 114.6147 56.0401 41.7795 173.1543 39 V 4.0731 8.3716 119.9324 62.3070 31.7949 174.6331 40 Y 4.7941 8.7833 130.1057 56.3388 41.2484 175.7089 41 G 4.0505 8.0638 107.8830 45.3524 0.0000 174.3272 42 G 4.0608 5.5447 111.4541 45.3957 0.0000 173.0881 43 C 4.6230 7.3468 112.4948 53.8159 39.3435 172.0266 44 E 3.9155 8.2458 117.0047 56.8062 29.3409 176.9267 45 G 4.3518 8.3500 110.4834 45.1416 0.0000 171.5852 46 N 4.8560 8.4077 117.0212 51.5235 40.5543 176.4511 47 G 3.7108 8.5303 106.8956 48.6458 0.0000 174.2130 48 N 4.7089 7.2319 118.2588 51.8217 37.1546 173.5513 49 N 4.8325 6.7389 116.3944 52.1577 41.7228 173.1439 50 F 4.4962 9.1875 124.8313 56.0616 41.8410 176.0177 51 H 4.7907 8.0390 117.9835 56.1833 29.1908 174.8954 52 S 4.2243 7.3852 112.9447 55.8306 65.5575 175.4534 53 R 2.5545 7.3721 119.8228 59.6273 29.6200 177.5593 54 E 3.5954 7.7603 117.5297 59.9421 29.7395 179.0007 55 S 4.1048 8.0050 112.8927 61.5368 63.0957 175.8790 56 C 3.0836 7.7159 121.6067 59.2068 43.2395 175.2969 57 E 4.1381 8.0742 120.7298 58.8421 29.0416 178.5964 58 D 4.3207 7.8031 117.0859 57.1925 41.3649 177.5910 59 A 3.9439 7.2031 120.2219 52.4062 18.5128 177.0157 60 C 5.1920 6.3795 118.1212 55.9857 44.1055 170.9164 61 P 4.5620 0.0000 0.0000 61.8540 31.9714 175.4010 62 V 4.3607 7.6629 122.1136 60.9310 34.6480 174.2735 63 V 3.5859 8.3028 118.4790 62.9149 31.6644 175.7239 64 D 4.1455 8.5828 125.6679 54.4860 41.3680 175.1753 65 H 4.0642 8.8384 124.0835 56.7968 28.7246 174.6448 66 H 3.9971 8.2362 126.8001 55.7462 28.8383 175.3000 67 H 4.5811 8.5199 116.1578 56.5609 29.6654 177.2574 68 H 4.4887 8.4411 120.0554 56.1644 25.5301 174.4760 69 H 4.5998 7.5554 121.9345 55.5084 30.1145 175.9395 70 H 4.3666 8.7046 118.1886 56.5678 29.6899 174.7104 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 E 8.44 4.10 0.00 1.73 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 2.31 2.34 0.00 2 A 8.14 3.75 0.92 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 3 E 9.35 3.97 0.00 2.02 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 0.00 2.39 2.27 0.00 4 A 6.91 4.03 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 5 E 9.03 4.21 0.00 2.16 2.16 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 2.60 2.46 0.00 6 F 8.03 4.57 0.00 3.00 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 7 T 5.79 3.66 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 8 D 8.23 4.53 0.00 2.90 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.95 4.12 1.63 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 0.00 0.00 0.00 0.00 0.00 0.00 10 C 8.62 4.07 0.00 2.88 3.27 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 0.00 11 V 7.59 3.81 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 0.81 0.00 0.00 0.76 0.00 0.00 12 L 7.07 4.66 0.00 1.66 1.64 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.43 0.00 2.17 2.02 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 14 A 7.98 3.85 0.40 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 0.00 0.00 15 V 7.91 4.53 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 1.02 0.00 0.00 1.06 0.00 0.00 16 Q 9.04 4.49 0.00 2.39 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.36 5.11 0.00 0.00 0.00 0.00 0.00 2.92 2.54 0.00 17 G 8.57 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.18 2.20 0.00 3.86 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 19 C 7.66 4.53 0.00 2.87 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 20 R 7.74 3.28 0.00 1.43 1.53 0.00 3.19 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 21 G 6.94 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.18 5.89 0.00 3.07 2.90 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 23 E 9.51 4.80 0.00 2.00 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 2.40 2.48 0.00 24 P 0.00 4.75 0.00 2.08 1.99 0.00 3.80 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 2.03 2.02 0.00 25 R 8.44 4.81 0.00 0.74 1.78 0.00 3.31 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.11 0.00 26 W 9.41 5.40 0.00 3.56 3.28 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 27 A 9.10 5.43 0.80 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 0.00 0.00 28 Y 9.51 4.53 0.00 3.11 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 29 S 7.78 4.68 0.00 3.74 3.60 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 30 P 0.00 4.27 0.00 2.26 2.63 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 31 L 7.83 4.08 0.00 1.59 1.72 0.89 0.88 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 32 L 7.40 4.41 0.00 1.57 1.58 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.83 3.45 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 34 Q 7.19 4.78 0.00 2.17 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 35 C 8.87 5.30 0.00 3.46 3.31 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 0.00 0.00 0.00 0.00 36 H 8.79 5.20 0.00 3.17 3.34 0.00 5.46 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.19 0.00 1.55 0.51 0.00 3.57 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.20 0.00 38 F 8.67 4.77 0.00 3.01 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 39 V 8.37 4.07 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 0.47 0.00 0.00 0.77 0.00 0.00 40 Y 8.78 4.79 0.00 2.32 2.61 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 41 G 8.06 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 5.54 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 0.00 0.00 0.00 43 C 7.35 4.62 0.00 3.05 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 44 E 8.25 3.92 0.00 2.15 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 2.44 2.46 0.00 45 G 8.35 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.41 4.86 0.00 2.87 2.83 0.00 0.00 6.72 8.70 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 47 G 8.53 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 48 N 7.23 4.71 0.00 2.84 2.92 0.00 0.00 7.22 8.06 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 49 N 6.74 4.83 0.00 2.57 2.34 0.00 0.00 6.66 5.12 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 50 F 9.19 4.50 0.00 3.44 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.04 4.79 0.00 3.24 3.44 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.39 4.22 0.00 3.75 3.86 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 0.00 0.00 0.00 53 R 7.37 2.55 0.00 0.67 1.40 0.00 3.20 0.00 0.00 2.82 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 54 E 7.76 3.60 0.00 1.94 1.73 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 2.32 2.36 0.00 55 S 8.00 4.10 0.00 4.35 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 56 C 7.72 3.08 0.00 3.33 3.26 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 57 E 8.07 4.14 0.00 1.97 1.95 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 0.00 2.34 2.28 0.00 58 D 7.80 4.32 0.00 2.58 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 59 A 7.20 3.94 0.57 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 0.00 0.00 0.00 0.00 0.00 0.00 60 C 6.38 5.19 0.00 1.52 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 0.00 0.00 0.00 61 P 0.00 4.56 0.00 2.21 2.38 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 62 V 7.66 4.36 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 0.88 0.00 0.00 0.93 0.00 0.00 63 V 8.30 3.59 2.07 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 0.76 0.00 0.00 0.92 0.00 0.00 64 D 8.58 4.15 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.84 4.06 0.00 2.94 3.26 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.24 4.00 0.00 3.19 3.53 0.00 5.74 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 67 H 8.52 4.58 0.00 3.13 3.21 0.00 5.82 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.44 4.49 0.00 3.22 3.36 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 7.56 4.60 0.00 3.29 3.41 0.00 5.73 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.70 4.37 0.00 3.16 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00