NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.2043 8.0249 114.2761 60.5888 38.6149 174.6538 2 K 4.5012 8.1086 121.7910 52.3714 35.6763 174.0323 3 P 4.4279 0.0000 0.0000 62.2852 32.6007 175.9177 4 E 3.6727 7.3842 116.4001 57.7510 26.7147 173.7031 5 A 4.3185 7.7223 121.7136 53.4833 21.0972 177.3440 6 P 4.6823 0.0000 0.0000 62.8888 29.3991 176.5903 7 G 4.1027 7.7634 102.7641 44.9299 0.0000 171.2502 8 E 4.1724 8.2627 119.2917 55.8712 30.3109 174.9342 9 D 4.4897 8.4434 114.3123 55.5763 43.9281 176.3110 10 A 3.7516 9.0107 119.1765 53.1178 16.4269 177.8930 11 S 4.6160 7.4283 108.9395 61.1763 65.3714 174.2748 12 P 4.3459 0.0000 0.0000 65.5892 31.3784 176.3257 13 E 4.8772 7.6348 116.6906 54.8678 31.6004 176.2309 14 E 4.3474 8.4121 115.7323 57.3879 30.0403 177.2660 15 L 4.2753 7.6791 121.0886 57.0711 42.7751 177.5777 16 N 4.5087 8.1460 116.6187 56.8963 39.0984 176.3121 17 R 4.3521 8.0042 117.0852 57.1379 30.2676 177.9981 18 Y 3.8945 7.9405 121.1735 60.9863 38.8096 177.1013 19 Y 4.2578 8.1156 116.3386 60.1024 38.1132 177.6265 20 A 4.1543 7.9230 122.1910 54.8500 18.8635 179.7366 21 S 4.1772 8.5556 113.2042 61.2957 63.0950 176.4613 22 L 3.9444 7.8373 124.0347 58.0231 41.8229 179.0243 23 R 3.9776 8.1767 118.9848 59.5104 30.0178 177.9246 24 H 4.2018 8.8434 118.5068 59.4481 29.8229 176.6280 25 Y 4.1200 8.4417 121.7501 60.5461 38.6350 177.5156 26 L 3.5692 8.2127 121.6182 58.2367 42.0093 178.2802 27 N 4.1898 8.4759 116.1160 56.7064 38.9338 176.3668 28 L 4.0256 7.7447 121.7879 58.0486 42.1418 179.1039 29 V 3.5312 7.8413 118.6333 64.9241 31.0611 177.1670 30 T 4.4199 7.4932 113.3936 61.5425 67.0538 176.0556 31 R 3.8881 7.8725 122.4886 58.8575 29.9067 177.7726 32 Q 4.0675 8.0539 115.0295 56.6810 29.2472 176.5655 33 R 4.0599 7.5814 120.6960 56.5722 29.2680 175.4971 34 Y 4.4406 7.7566 121.3169 57.6866 38.9581 175.2530 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 I 8.02 4.20 1.89 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 1.44 1.16 0.93 0.00 0.00 2 K 8.11 4.50 0.00 2.04 1.72 0.00 1.75 0.00 0.00 2.04 0.00 0.00 3.11 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.46 1.53 7.81 3 P 0.00 4.43 0.00 1.88 1.77 0.00 3.75 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 4 E 7.38 3.67 0.00 2.10 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 2.21 2.35 0.00 5 A 7.72 4.32 1.10 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 0.00 0.00 6 P 0.00 4.68 0.00 2.06 2.01 0.00 3.70 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 7 G 7.76 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 0.00 0.00 0.00 0.00 8 E 8.26 4.17 0.00 1.90 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 2.20 2.32 0.00 9 D 8.44 4.49 0.00 2.62 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 10 A 9.01 3.75 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 11 S 7.43 4.62 0.00 3.94 3.85 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 12 P 0.00 4.35 0.00 2.18 2.19 0.00 3.97 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 2.37 1.96 0.00 13 E 7.63 4.88 0.00 1.98 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 0.00 2.20 2.22 0.00 14 E 8.41 4.35 0.00 2.13 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 0.00 2.31 2.43 0.00 15 L 7.68 4.28 0.00 1.92 1.69 0.75 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.15 4.51 0.00 2.87 2.88 0.00 0.00 7.33 7.70 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 17 R 8.00 4.35 0.00 1.96 1.97 0.00 3.19 0.00 0.00 3.11 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 18 Y 7.94 3.89 0.00 3.07 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 19 Y 8.12 4.26 0.00 3.28 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 20 A 7.92 4.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.56 4.18 0.00 3.99 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 0.00 22 L 7.84 3.94 0.00 1.79 1.82 0.99 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.18 3.98 0.00 2.08 2.15 0.00 3.24 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 24 H 8.84 4.20 0.00 3.41 3.33 0.00 5.66 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 25 Y 8.44 4.12 0.00 3.02 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 3.57 0.00 2.02 1.63 0.97 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.48 4.19 0.00 2.92 2.83 0.00 0.00 7.35 7.93 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 28 L 7.74 4.03 0.00 1.80 1.74 0.89 0.98 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 29 V 7.84 3.53 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.84 0.00 0.00 30 T 7.49 4.42 4.16 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 0.00 0.00 1.23 0.00 0.00 31 R 7.87 3.89 0.00 1.92 1.93 0.00 3.29 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 32 Q 8.05 4.07 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 5.71 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 33 R 7.58 4.06 0.00 2.01 2.14 0.00 3.11 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.56 0.00 34 Y 7.76 4.44 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00