NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3743 8.1548 116.6274 55.4064 30.8966 176.5156 2 P 4.2147 0.0000 0.0000 60.6935 31.9658 175.6710 3 D 4.3453 8.2552 119.5121 57.5447 40.7310 179.5430 4 F 5.0005 6.8774 116.7071 55.5033 36.2556 175.2974 5 C 5.0948 7.7650 112.0882 58.3929 43.8040 174.7881 6 L 4.5311 7.9348 119.9253 56.1177 42.6487 177.3023 7 E 3.9951 8.2421 115.4900 55.8227 29.5943 175.1245 8 P 4.5009 0.0000 0.0000 61.3706 32.2044 174.0821 9 P 3.6753 0.0000 0.0000 63.3420 31.4259 175.3134 10 Y 4.4898 8.1572 122.7460 56.0357 40.6032 174.9942 11 T 4.3330 8.2306 125.4030 64.9377 69.0261 176.4954 12 G 4.2914 7.2339 104.3242 44.2803 0.0000 171.4144 13 P 4.2945 0.0000 0.0000 65.7565 31.5066 177.9982 14 C 4.4731 7.9460 115.5113 56.8501 41.1717 173.1452 15 K 4.3561 7.9216 117.6044 55.2465 32.4009 176.7342 16 A 4.3294 8.1666 121.8555 51.1084 20.5817 179.4732 17 R 4.1883 8.2822 121.7338 56.4465 28.4542 179.4093 18 I 4.2544 6.9835 121.2128 59.9774 37.2076 175.7979 19 I 4.0659 7.8158 126.1417 61.2269 38.2053 175.2156 20 R 4.8155 8.0447 124.3871 55.3959 35.0727 173.0471 21 Y 5.6034 9.1133 115.9573 57.0432 41.3852 175.3942 22 F 5.7064 9.7121 117.0464 55.8708 42.4505 172.0789 23 Y 4.4406 10.1142 121.3856 56.0518 39.8033 175.7515 24 N 4.5303 7.7469 126.8122 52.0273 36.9235 175.0614 25 A 3.7152 7.7128 126.4483 53.3921 19.0014 179.6918 26 K 4.0892 8.0376 116.3678 58.2283 32.3587 177.2100 27 A 4.5456 7.5237 119.0506 50.9672 20.5098 176.2424 28 G 3.9018 9.5595 103.5367 45.1469 0.0000 172.9606 29 L 4.6688 7.0728 118.5296 53.3697 45.7393 175.4338 30 C 4.7730 8.6812 121.1027 57.4118 39.3887 172.3131 31 Q 4.7153 8.2550 118.8159 55.3078 33.5918 173.9335 32 T 4.9117 8.4802 111.1118 61.6767 70.8982 173.4281 33 F 4.8087 8.6987 116.3797 56.5750 41.8316 172.2605 34 V 4.1773 8.2712 118.3358 61.1620 32.5439 173.9370 35 Y 4.8218 8.2702 129.7159 55.8833 40.1152 176.5869 36 G 4.2945 8.7012 116.3033 48.5732 0.0000 174.0242 37 G 3.0579 5.3800 109.9031 44.5395 0.0000 172.4799 38 C 5.1700 7.0101 112.2039 52.9733 45.0459 173.2040 39 R 3.6802 8.6997 116.1601 57.4963 26.8655 175.6103 40 A 4.5485 7.8074 119.8428 51.5705 20.4804 175.5751 41 K 4.5698 7.7650 115.4807 55.3222 35.9291 176.3877 42 R 3.8842 8.8762 117.3379 59.9004 30.6097 177.6963 43 N 4.8544 9.5374 116.9415 53.3292 36.6572 173.7493 44 N 4.8756 6.7159 116.3385 52.0265 42.7689 172.8678 45 F 4.9565 9.3406 122.9892 56.4110 43.5012 174.6879 46 K 4.7272 8.8856 118.8628 57.2671 34.2693 176.6466 47 S 3.4557 7.5763 113.1796 55.0959 67.3950 174.5293 48 A 4.0137 7.2454 123.9789 55.3459 18.1769 179.9601 49 E 3.8321 7.8684 116.6465 59.3968 29.5932 178.9396 50 D 4.2463 8.7556 120.1027 57.6333 40.9802 178.1354 51 C 2.6069 7.8748 118.5669 59.3858 41.8206 175.5845 52 M 3.8983 7.9533 120.2833 58.4642 31.3925 178.7980 53 R 3.9133 8.3468 117.5099 58.9029 30.2354 177.4422 54 T 4.2970 7.4503 114.2782 65.5106 69.5929 175.7945 55 C 4.5760 7.4802 119.3392 60.0119 43.8998 175.0070 56 G 3.4007 8.3821 108.2855 43.8606 0.0000 174.5465 57 G 4.1255 10.1870 115.1923 45.3995 0.0000 173.4862 58 A 4.0829 7.4797 125.6177 52.4012 18.9417 175.7909 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 R 8.15 4.37 0.00 1.79 1.83 0.00 2.65 0.00 0.00 4.01 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 2 P 0.00 4.21 0.00 1.10 1.66 0.00 2.90 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 3 D 8.26 4.35 0.00 2.82 2.87 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 4 F 6.88 5.00 0.00 3.16 3.20 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 5 C 7.77 5.09 0.00 2.98 2.73 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 0.00 0.00 0.00 6 L 7.93 4.53 0.00 1.63 1.72 1.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.24 4.00 0.00 2.09 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 2.32 2.39 0.00 8 P 0.00 4.50 0.00 2.21 2.13 0.00 3.85 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 2.04 2.02 0.00 9 P 0.00 3.68 0.00 1.70 1.07 0.00 3.57 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.97 0.00 10 Y 8.16 4.49 0.00 2.86 2.87 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 11 T 8.23 4.33 4.14 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 1.23 0.00 0.00 12 G 7.23 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.29 0.00 2.19 2.21 0.00 4.08 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 2.04 2.07 0.00 14 C 7.95 4.47 0.00 2.83 2.94 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 0.00 0.00 0.00 0.00 15 K 7.92 4.36 0.00 1.61 1.64 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.30 7.81 16 A 8.17 4.33 1.14 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 0.00 0.00 17 R 8.28 4.19 0.00 1.75 1.90 0.00 3.20 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 18 I 6.98 4.25 2.01 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 1.20 0.56 1.04 0.00 0.00 19 I 7.82 4.07 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.79 0.00 0.00 20 R 8.04 4.82 0.00 1.64 2.32 0.00 3.39 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.83 0.00 21 Y 9.11 5.60 0.00 3.16 3.07 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 0.00 0.00 0.00 0.00 22 F 9.71 5.71 0.00 3.06 2.30 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 10.11 4.44 0.00 2.92 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 24 N 7.75 4.53 0.00 2.42 2.57 0.00 0.00 7.30 7.08 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 25 A 7.71 3.72 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 4.09 0.00 1.79 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.54 7.81 27 A 7.52 4.55 1.26 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 28 G 9.56 3.90 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 0.00 0.00 0.00 29 L 7.07 4.67 0.00 1.68 1.37 0.92 0.94 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 30 C 8.68 4.77 0.00 2.88 3.05 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 31 Q 8.25 4.72 0.00 1.62 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 32 T 8.48 4.91 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 0.97 0.00 0.00 33 F 8.70 4.81 0.00 2.91 3.06 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 34 V 8.27 4.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.83 0.00 0.00 35 Y 8.27 4.82 0.00 2.92 2.87 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 36 G 8.70 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 5.38 3.06 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 38 C 7.01 5.17 0.00 3.09 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 39 R 8.70 3.68 0.00 2.22 2.24 0.00 3.32 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 40 A 7.81 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.76 4.57 0.00 1.68 1.85 0.00 1.43 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.16 1.16 7.81 42 R 8.88 3.88 0.00 2.04 2.07 0.00 3.33 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 43 N 9.54 4.85 0.00 3.08 2.81 0.00 0.00 7.48 8.35 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 44 N 6.72 4.88 0.00 2.54 2.32 0.00 0.00 6.81 6.70 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 45 F 9.34 4.96 0.00 3.45 2.99 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 0.00 0.00 0.00 46 K 8.89 4.73 0.00 1.94 2.00 0.00 1.54 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.40 7.81 47 S 7.58 3.46 0.00 3.76 3.78 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 0.00 0.00 0.00 48 A 7.25 4.01 1.36 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 0.00 0.00 49 E 7.87 3.83 0.00 1.97 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 0.00 2.34 2.40 0.00 50 D 8.76 4.25 0.00 2.93 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 51 C 7.87 2.61 0.00 2.78 2.94 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 0.00 0.00 0.00 0.00 52 M 7.95 3.90 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.77 0.00 53 R 8.35 3.91 0.00 1.70 2.11 0.00 3.48 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 54 T 7.45 4.30 4.10 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 0.00 0.00 0.00 1.23 0.00 0.00 55 C 7.48 4.58 0.00 3.28 2.86 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 56 G 8.38 3.40 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 0.00 57 G 10.19 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.48 4.08 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00