NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 C 4.7565 8.2976 120.6443 55.7267 43.8979 174.2606 7 P 3.9252 0.0000 0.0000 64.2620 31.4899 175.6302 8 L 3.9033 6.9406 120.0801 55.2647 43.0021 178.6479 9 S 4.1714 8.7295 118.2532 61.4673 63.3326 174.4166 10 H 4.5726 7.8229 117.5591 54.3496 29.4274 174.6270 11 D 4.5618 8.3926 123.3941 54.4156 41.9726 175.5681 12 G 3.9470 8.3989 110.7946 45.6050 0.0000 174.7302 13 Y 3.8897 8.2205 121.4754 60.1096 38.9301 176.4489 14 C 4.6350 7.9347 118.4575 54.9404 40.4992 173.5487 15 L 4.0188 8.1408 125.3422 54.7019 41.9261 177.2975 16 H 3.6750 8.6215 113.1848 58.6861 25.1081 174.8728 17 D 4.1313 7.7980 121.8151 54.6286 38.9225 173.9871 18 G 4.2572 7.3001 104.7426 44.7679 0.0000 174.5886 19 V 4.4357 8.2115 122.2070 60.4363 33.6267 174.3741 20 C 5.4229 8.7298 122.9645 55.8696 43.9769 172.2697 21 M 5.0687 9.2164 119.7661 54.0984 35.0638 172.7438 22 Y 4.5659 8.5794 121.7478 56.4162 41.0876 174.5226 23 I 3.7539 8.7183 129.3869 59.4297 36.9625 176.1482 24 E 3.1853 8.3694 125.8390 59.1777 29.6355 179.7555 25 A 4.1278 7.7243 119.7406 54.7091 18.3090 177.8899 26 L 4.5208 7.5839 112.5782 53.4464 43.2795 176.5877 27 D 4.6886 7.9251 116.4027 53.9595 40.1002 172.8438 28 K 4.7230 6.9461 115.1951 54.4877 34.8699 174.8200 29 Y 4.8233 8.6163 119.8012 56.6171 39.8954 174.6337 30 A 5.0687 9.5614 124.5989 50.4071 23.3015 173.9125 31 C 5.4095 8.7541 114.8311 55.2857 38.5699 174.7782 32 N 4.8239 10.4243 121.0769 51.4238 37.3018 173.1839 33 C 4.5077 8.2967 119.6058 57.0335 38.9801 174.0341 34 V 4.3616 7.9721 113.7056 59.5496 32.7965 176.2944 35 V 3.7904 8.2409 121.1592 63.9790 31.3043 176.7607 36 G 3.8385 9.2460 111.2258 45.1006 0.0000 171.9803 37 Y 4.9983 7.6981 117.4791 56.1791 39.9131 175.3059 38 I 4.4845 8.8039 125.4790 59.7690 40.1496 174.8455 39 G 4.3483 8.6910 107.9671 44.8152 0.0000 174.7075 40 E 3.9065 8.7259 121.3039 58.6421 29.8201 178.2973 41 R 4.3575 7.4261 115.4927 55.8568 30.8453 176.6385 42 C 4.3572 7.7932 112.6824 58.1932 32.5470 174.9161 43 Q 4.0083 7.7550 121.3769 58.8176 28.7678 175.9444 44 Y 5.0780 7.2510 115.9451 57.0815 39.5929 174.8917 45 R 4.1298 8.6385 124.7707 55.0522 31.3453 175.1379 46 D 4.5987 9.0797 128.4532 52.8996 41.3672 176.2645 47 L 4.1794 8.1886 124.8465 54.8205 41.8416 177.1020 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 6 C 8.30 4.76 0.00 3.01 3.09 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 7 P 0.00 3.93 0.00 2.25 2.13 0.00 3.96 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 2.00 1.94 0.00 8 L 6.94 3.90 0.00 1.76 1.58 0.32 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.73 4.17 0.00 3.84 3.92 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 10 H 7.82 4.57 0.00 3.13 3.25 0.00 5.89 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 11 D 8.39 4.56 0.00 2.64 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.40 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.22 3.89 0.00 2.82 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 14 C 7.93 4.63 0.00 3.14 3.01 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 15 L 8.14 4.02 0.00 1.18 1.27 0.78 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.62 3.68 0.00 2.32 2.17 0.00 5.75 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.80 4.13 0.00 2.67 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 18 G 7.30 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 19 V 8.21 4.44 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 0.76 0.00 0.00 0.95 0.00 0.00 20 C 8.73 5.42 0.00 3.17 3.10 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 0.00 21 M 9.22 5.07 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 22 Y 8.58 4.57 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.72 3.75 1.80 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 1.14 0.25 0.74 0.00 0.00 24 E 8.37 3.19 0.00 1.93 1.93 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 2.42 2.44 0.00 25 A 7.72 4.13 1.21 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 0.00 0.00 26 L 7.58 4.52 0.00 1.54 1.57 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.93 4.69 0.00 2.72 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.95 4.72 0.00 1.77 1.64 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.48 7.81 29 Y 8.62 4.82 0.00 2.65 2.52 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 30 A 9.56 5.07 1.24 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 0.00 0.00 0.00 31 C 8.75 5.41 0.00 2.99 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 32 N 10.42 4.82 0.00 2.85 2.71 0.00 0.00 7.20 7.53 0.00 0.00 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 C 8.30 4.51 0.00 3.07 3.15 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 0.00 34 V 7.97 4.36 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 0.81 0.00 0.00 0.94 0.00 0.00 35 V 8.24 3.79 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 0.74 0.00 0.00 0.95 0.00 0.00 36 G 9.25 3.84 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 0.00 0.00 0.00 37 Y 7.70 5.00 0.00 3.19 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 38 I 8.80 4.48 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.44 1.14 0.00 0.00 39 G 8.69 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 40 E 8.73 3.91 0.00 1.90 1.91 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 2.32 2.38 0.00 41 R 7.43 4.36 0.00 1.58 1.67 0.00 2.74 0.00 0.00 3.05 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.34 0.00 42 C 7.79 4.36 0.00 3.11 3.17 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 43 Q 7.75 4.01 0.00 1.67 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 44 Y 7.25 5.08 0.00 2.93 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 45 R 8.64 4.13 0.00 1.42 1.72 0.00 2.21 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.44 0.00 46 D 9.08 4.60 0.00 2.65 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 47 L 8.19 4.18 0.00 1.63 1.51 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00