NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5096 8.1633 120.2787 55.3349 33.3668 174.7108 2 K 4.6541 8.3628 123.6279 54.1108 35.3184 174.2314 3 I 4.3693 8.2280 121.7463 59.9547 38.4122 176.3047 4 K 4.1700 8.7421 129.7121 58.6081 33.2937 175.9805 5 R 4.7598 8.6518 119.1867 54.9295 34.6307 173.8863 6 I 4.7911 8.0835 120.6018 59.5840 40.0812 175.5978 7 L 4.3273 8.6615 125.8180 56.8382 42.6673 175.9403 8 N 4.5281 7.7486 115.0734 53.2143 40.1298 174.1243 9 H 4.5168 8.8615 117.3677 57.4519 30.6488 176.6743 10 N 5.1047 9.6816 114.4997 55.1956 42.5784 174.2734 11 A 5.1905 8.2707 120.0039 50.8963 21.0576 176.3379 12 I 4.8025 8.3944 113.8996 59.4617 41.8671 174.4642 13 V 4.4175 8.3512 124.8573 62.5986 32.2973 175.6343 14 V 4.6523 8.5942 123.0174 59.0275 34.8585 174.8898 15 K 4.8442 8.3392 119.5738 56.1114 34.5553 175.3777 16 D 5.0174 9.0424 124.6557 51.9680 44.0300 176.3069 17 Q 4.2044 8.7027 118.0242 59.2992 28.8552 178.1759 18 N 4.4972 8.4382 113.9203 54.6245 39.3101 174.5194 19 E 4.8526 6.9540 114.5089 56.4477 34.2126 174.8156 20 E 4.5131 8.2056 118.9656 56.9596 31.3200 177.1481 21 K 5.1277 9.4444 124.3297 54.7708 37.5357 174.8703 22 I 5.0003 9.1896 120.9442 59.7792 41.0761 174.6563 23 L 4.9521 9.2654 130.2571 53.6482 43.7498 175.3345 24 L 4.6799 9.2343 129.0931 53.3085 43.1437 176.3274 25 G 4.6072 9.4349 112.0490 43.4614 0.0000 169.9841 26 A 4.3282 8.7334 129.5926 55.7101 18.1390 177.1183 27 G 4.0891 9.7253 111.0682 46.1769 0.0000 174.3301 28 I 3.6981 8.3982 121.6855 64.3043 37.2562 177.4622 29 A 4.1009 7.7540 121.4963 54.9389 18.3642 178.1110 30 F 4.1882 7.8022 117.2409 59.3252 39.8963 174.1681 31 N 3.8922 8.1721 123.2882 53.8116 36.7940 173.0052 32 K 4.2202 7.4618 115.3309 55.7575 35.0644 172.8297 33 K 4.5048 7.7051 118.9267 54.9610 35.2712 174.8556 34 K 4.2261 8.2421 120.4549 57.9226 32.2593 176.2274 35 N 4.5595 9.1087 124.5499 53.4840 39.3373 173.7344 36 D 4.6560 7.7868 117.0594 53.7056 42.2272 175.3374 37 I 4.3429 8.0302 125.0693 61.3781 37.9124 176.0963 38 V 3.9223 8.5081 126.1648 61.3251 32.3635 175.3827 39 D 4.5401 8.6541 124.5924 53.5739 41.2947 174.8890 40 P 4.4098 0.0000 0.0000 65.9947 31.3154 178.5484 41 S 4.1488 8.1638 111.6032 60.7443 62.6985 175.4465 42 K 4.3983 7.9624 120.5831 56.6130 31.8393 176.4986 43 I 3.9745 7.0785 120.2232 62.2256 37.1600 175.0815 44 E 4.6951 8.6863 124.2794 57.0104 32.6003 177.0380 45 K 4.5486 8.3006 118.3343 55.8144 37.1925 174.9600 46 T 5.1568 8.7216 122.3035 61.9837 70.2668 173.9768 47 F 4.7749 9.6397 125.2967 55.6445 42.5567 174.4840 48 I 5.0356 8.1487 121.9317 59.0600 40.5670 175.5248 49 R 4.0838 8.1286 123.2108 55.7426 30.1841 176.3778 50 K 3.8968 8.6841 123.0779 56.9750 32.1778 176.0240 51 D 4.5023 8.7239 126.7259 56.6464 41.6248 176.0378 52 T 4.7671 7.3382 107.1743 59.1987 71.3411 171.3502 53 P 4.3990 0.0000 0.0000 64.2544 32.2829 176.3634 54 D 4.6098 7.5480 118.5417 54.4634 43.6068 175.6443 55 Y 4.3229 7.4969 119.6049 58.3751 37.8131 175.8747 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 8.16 4.51 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 2 K 8.36 4.65 0.00 1.79 1.73 0.00 1.92 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.38 7.81 3 I 8.23 4.37 2.07 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.86 0.93 0.00 0.00 4 K 8.74 4.17 0.00 1.77 1.89 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 5 R 8.65 4.76 0.00 1.84 1.71 0.00 3.08 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 6 I 8.08 4.79 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.04 0.90 0.00 0.00 7 L 8.66 4.33 0.00 1.68 1.69 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.75 4.53 0.00 2.77 2.71 0.00 0.00 7.02 7.79 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 9 H 8.86 4.52 0.00 3.23 3.32 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 9.68 5.10 0.00 2.64 2.88 0.00 0.00 6.90 6.83 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 11 A 8.27 5.19 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 12 I 8.39 4.80 1.99 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 1.18 0.95 0.91 0.00 0.00 13 V 8.35 4.42 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 1.01 0.00 0.00 0.93 0.00 0.00 14 V 8.59 4.65 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 0.96 0.00 0.00 0.98 0.00 0.00 15 K 8.34 4.84 0.00 1.68 1.74 0.00 1.42 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.49 7.81 16 D 9.04 5.02 0.00 2.71 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 17 Q 8.70 4.20 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 18 N 8.44 4.50 0.00 2.71 2.88 0.00 0.00 6.77 7.66 0.00 0.00 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 E 6.95 4.85 0.00 2.31 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 2.05 2.07 0.00 20 E 8.21 4.51 0.00 2.09 1.87 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 2.46 2.39 0.00 21 K 9.44 5.13 0.00 1.68 1.70 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.40 7.81 22 I 9.19 5.00 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 1.16 0.94 0.86 0.00 0.00 23 L 9.27 4.95 0.00 1.66 1.57 1.01 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 24 L 9.23 4.68 0.00 1.61 1.57 0.48 0.56 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 25 G 9.43 4.61 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 0.00 26 A 8.73 4.33 1.31 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 0.00 0.00 27 G 9.73 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 28 I 8.40 3.70 2.19 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 1.44 0.88 0.94 0.00 0.00 29 A 7.75 4.10 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 30 F 7.80 4.19 0.00 3.07 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.17 3.89 0.00 2.93 2.93 0.00 0.00 6.82 6.68 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 32 K 7.46 4.22 0.00 1.76 1.61 0.00 1.71 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.53 7.81 33 K 7.71 4.50 0.00 1.89 1.82 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.40 7.81 34 K 8.24 4.23 0.00 1.72 1.75 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.66 1.37 7.81 35 N 9.11 4.56 0.00 2.84 3.04 0.00 0.00 7.17 8.17 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 36 D 7.79 4.66 0.00 2.81 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 37 I 8.03 4.34 1.87 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 1.40 0.92 0.96 0.00 0.00 38 V 8.51 3.92 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 0.72 0.00 0.00 0.95 0.00 0.00 39 D 8.65 4.54 0.00 2.71 2.65 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 40 P 0.00 4.41 0.00 2.31 2.30 0.00 3.76 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 2.08 2.02 0.00 41 S 8.16 4.15 0.00 3.90 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 42 K 7.96 4.40 0.00 1.98 1.87 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.71 7.81 43 I 7.08 3.97 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.37 0.94 0.00 0.00 44 E 8.69 4.70 0.00 2.09 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 2.22 2.46 0.00 45 K 8.30 4.55 0.00 1.82 1.97 0.00 1.76 0.00 0.00 1.99 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.54 7.81 46 T 8.72 5.16 4.24 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 1.24 0.00 0.00 47 F 9.64 4.77 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 5.04 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.55 0.99 0.00 0.00 49 R 8.13 4.08 0.00 1.74 1.97 0.00 3.10 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 50 K 8.68 3.90 0.00 1.74 1.82 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.51 7.81 51 D 8.72 4.50 0.00 2.99 2.68 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 0.00 0.00 0.00 0.00 52 T 7.34 4.77 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 1.27 0.00 0.00 53 P 0.00 4.40 0.00 2.17 2.14 0.00 3.83 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 2.08 2.03 0.00 54 D 7.55 4.61 0.00 2.37 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 0.00 0.00 0.00 55 Y 7.50 4.32 0.00 3.08 2.85 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 0.00 0.00 0.00 0.00