NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5636 0.0000 0.0000 62.6955 33.7064 174.7355 2 M 5.3480 8.5450 119.8300 53.4569 35.6926 173.4872 3 I 4.9451 9.4497 124.3238 59.5390 41.4674 174.4034 4 S 5.3048 8.8952 119.6353 56.7432 66.5485 172.9857 5 C 4.7719 8.9801 121.3160 58.0106 34.4593 172.2801 6 D 5.4506 8.8695 127.0423 53.6229 41.6345 175.7758 7 M 4.3455 8.9504 119.5900 53.6194 35.1288 173.9547 8 A 4.7093 7.6168 120.7734 51.3843 19.1424 177.2014 9 Y 4.2545 8.2849 117.6232 59.1860 38.2958 176.0735 10 G 3.8342 9.3070 109.0928 45.8139 0.0000 175.0093 11 R 4.2186 7.8719 119.9001 56.1076 30.8662 177.1950 12 T 4.2298 8.4806 112.6891 61.3564 70.9146 175.6082 13 D 4.3722 8.5612 121.4174 57.4318 40.8008 178.5542 14 E 3.9179 8.1951 119.2894 59.6177 29.6164 178.8538 15 Q 4.0141 8.3698 118.1530 58.9360 28.7038 178.9891 16 K 4.0846 8.2263 119.6028 59.2751 32.0636 179.6832 17 R 3.9075 8.3765 118.5478 59.2306 29.9876 178.8351 18 A 3.9749 8.1264 120.5655 54.9931 18.3049 179.4077 19 L 3.8285 8.1106 119.0030 58.3000 42.1757 179.3781 20 S 3.4359 8.2325 113.9857 61.1649 62.9602 176.1593 21 A 3.9905 8.0971 124.7919 54.6183 18.1507 179.7412 22 G 3.5242 8.3006 104.5457 47.9327 0.0000 175.8426 23 L 3.8259 8.0134 122.1942 57.4201 41.5481 179.6513 24 L 3.9163 7.9372 119.2098 57.5829 41.4129 179.6414 25 R 3.8257 7.9265 118.5690 59.6712 30.0971 179.1252 26 V 3.6090 7.6723 112.1707 64.3063 31.4413 178.7942 27 I 3.6990 7.8386 119.6896 64.2637 36.9569 178.2254 28 S 4.4733 8.2495 115.7115 60.9198 61.9714 175.9613 29 E 3.9159 8.1934 120.4979 59.1277 29.4420 178.2930 30 A 4.1293 8.0474 120.3137 54.8886 18.6058 178.9356 31 T 4.2969 8.0685 105.8769 61.2825 69.6664 176.1768 32 G 3.8867 7.9508 109.3233 45.4883 0.0000 173.0814 33 E 4.2958 7.8357 121.3792 54.1474 30.6716 174.2626 34 P 4.5705 0.0000 0.0000 62.5309 32.4292 177.1742 35 R 3.9244 8.7850 118.9405 59.8283 30.0407 178.7266 36 E 4.1610 8.1259 114.8479 58.4627 29.5795 176.9781 37 N 4.7376 8.3043 116.0831 52.9777 38.5787 174.7340 38 I 4.7077 7.4659 119.5622 59.2866 39.4090 175.1745 39 F 4.4650 9.1601 130.8204 57.9946 40.5925 173.9428 40 F 5.5956 7.6415 126.6744 56.3854 42.4836 173.9489 41 V 3.9879 8.0409 124.1756 59.7572 34.7093 174.1192 42 I 4.5685 7.8199 124.1506 59.5970 39.2175 175.0452 43 R 4.5702 8.9875 125.8830 54.5150 32.6819 174.6732 44 E 5.5375 8.2224 123.1549 54.2213 32.3791 175.2616 45 G 4.1990 7.7831 107.8126 44.9936 0.0000 172.3634 46 S 5.1557 8.8165 115.0485 56.9393 64.7563 175.3942 47 G 3.9349 8.9141 109.0724 48.0875 0.0000 175.6867 48 I 3.7851 7.9278 118.6777 63.7058 37.9788 176.0385 49 N 4.5952 8.1780 115.2563 53.6337 38.8972 174.6869 50 F 4.6555 8.3226 118.3588 55.3000 41.5976 174.3600 51 V 4.7047 8.4031 124.1469 61.0605 33.3708 174.3969 52 E 4.6512 8.6131 126.5577 56.1112 32.5247 175.7757 53 H 3.7974 9.7771 118.8455 56.9596 26.4749 175.7749 54 G 3.9835 8.5879 104.1281 45.6986 0.0000 173.8750 55 E 4.7646 7.9872 118.5932 54.1635 32.9853 175.1012 56 H 4.8807 8.7620 119.5858 56.0020 29.2463 175.2061 57 L 4.4196 8.6668 121.5191 53.6180 43.3133 175.4486 58 P 4.5295 0.0000 0.0000 62.9168 30.9733 176.4175 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 P 0.00 4.56 0.00 2.13 2.08 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 2 M 8.54 5.35 0.00 2.06 1.99 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 2.57 2.67 0.00 3 I 9.45 4.95 2.21 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.25 1.05 0.00 0.00 4 S 8.90 5.30 0.00 3.84 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 5 C 8.98 4.77 0.00 3.21 2.91 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 6 D 8.87 5.45 0.00 2.73 2.84 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 0.00 0.00 0.00 7 M 8.95 4.35 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 8 A 7.62 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 8.28 4.25 0.00 2.90 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 10 G 9.31 3.83 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 0.00 0.00 0.00 11 R 7.87 4.22 0.00 1.81 1.90 0.00 3.25 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 12 T 8.48 4.23 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 1.22 0.00 0.00 13 D 8.56 4.37 0.00 2.75 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 14 E 8.20 3.92 0.00 2.03 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 2.38 2.41 0.00 15 Q 8.37 4.01 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 16 K 8.23 4.08 0.00 1.99 1.91 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.49 1.70 7.81 17 R 8.38 3.91 0.00 2.01 1.98 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 18 A 8.13 3.97 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 19 L 8.11 3.83 0.00 1.91 1.91 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.23 3.44 0.00 4.12 4.36 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 21 A 8.10 3.99 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 22 G 8.30 3.52 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 23 L 8.01 3.83 0.00 1.51 1.32 0.82 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.94 3.92 0.00 1.75 1.66 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.93 3.83 0.00 1.93 2.07 0.00 3.07 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 26 V 7.67 3.61 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 0.79 0.00 0.00 0.94 0.00 0.00 27 I 7.84 3.70 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.44 0.91 0.00 0.00 28 S 8.25 4.47 0.00 3.87 4.03 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 29 E 8.19 3.92 0.00 2.09 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 2.31 2.46 0.00 30 A 8.05 4.13 1.34 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 0.00 0.00 31 T 8.07 4.30 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 1.28 0.00 0.00 32 G 7.95 3.89 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 0.00 0.00 0.00 33 E 7.84 4.30 0.00 2.11 1.82 0.00 0.00 0.00 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 2.30 0.00 34 P 0.00 4.57 0.00 2.42 2.17 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.00 0.00 35 R 8.79 3.92 0.00 1.89 2.04 0.00 3.11 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 36 E 8.13 4.16 0.00 1.95 2.03 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 2.33 2.41 0.00 37 N 8.30 4.74 0.00 2.86 2.86 0.00 0.00 6.74 6.99 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 I 7.47 4.71 2.01 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 1.14 0.64 0.94 0.00 0.00 39 F 9.16 4.47 0.00 3.23 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 40 F 7.64 5.60 0.00 2.77 2.67 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 0.00 0.00 0.00 0.00 41 V 8.04 3.99 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 0.94 0.00 0.00 0.87 0.00 0.00 42 I 7.82 4.57 1.70 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 -0.04 0.85 0.00 0.00 43 R 8.99 4.57 0.00 1.79 1.78 0.00 3.25 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 44 E 8.22 5.54 0.00 1.50 1.12 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 2.14 2.07 0.00 45 G 7.78 4.20 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 0.00 46 S 8.82 5.16 0.00 4.19 4.31 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 47 G 8.91 3.93 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 0.00 0.00 0.00 48 I 7.93 3.79 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.75 0.96 0.00 0.00 49 N 8.18 4.60 0.00 2.92 2.55 0.00 0.00 6.80 7.51 0.00 0.00 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 8.32 4.66 0.00 3.12 2.92 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 51 V 8.40 4.70 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 0.82 0.00 0.00 0.62 0.00 0.00 52 E 8.61 4.65 0.00 2.09 1.78 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 2.28 2.32 0.00 53 H 9.78 3.80 0.00 3.25 3.37 0.00 5.96 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.59 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.99 4.76 0.00 2.02 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 2.24 2.41 0.00 56 H 8.76 4.88 0.00 3.06 3.29 0.00 5.69 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 57 L 8.67 4.42 0.00 1.94 1.61 0.89 1.08 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 58 P 0.00 4.53 0.00 1.95 1.98 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00