#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hd3 s LEU 3 N 0.00 3.98 0.03 -0.35 1.43 -1.26 -0.16 118.68 122.35 2hd3 s LEU 3 Ca 0.00 1.26 -0.28 0.00 -1.03 0.00 0.00 54.13 54.08 2hd3 s LEU 3 Cb 0.00 -4.09 0.09 0.00 0.03 0.00 0.00 46.19 42.22 2hd3 s LEU 3 CO 0.00 -0.27 0.91 0.00 0.23 0.00 0.00 176.35 177.22 2hd3 s ALA 4 N -2.11 -1.79 0.04 4.21 0.00 -0.47 -2.54 121.76 119.09 2hd3 s ALA 4 Ca 0.54 0.82 0.07 0.00 0.00 0.00 0.00 51.96 53.38 2hd3 s ALA 4 Cb -0.10 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 2hd3 s ALA 4 CO 0.21 -0.77 -0.16 0.08 0.00 0.00 0.00 175.76 175.13 2hd3 s VAL 5 N -3.15 2.96 -0.37 0.00 1.01 0.07 -0.20 120.40 120.73 2hd3 s VAL 5 Ca 0.07 -1.14 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 2hd3 s VAL 5 Cb -0.01 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 34.12 2hd3 s VAL 5 CO -0.07 0.33 1.08 -0.69 0.00 0.00 0.00 175.10 175.75 2hd3 s VAL 6 N -0.96 4.43 -2.50 2.92 1.01 -0.45 -1.49 120.40 123.36 2hd3 s VAL 6 Ca 0.15 1.56 0.24 0.00 0.00 0.00 0.00 61.98 63.93 2hd3 s VAL 6 Cb -0.11 -4.46 0.12 0.00 0.00 0.00 0.00 36.38 31.93 2hd3 s VAL 6 CO 0.06 -0.63 1.21 0.35 0.00 0.00 0.00 175.10 176.09 2hd3 n THR 7 N 6.15 0.00 -2.52 3.92 -2.24 -1.26 0.19 114.28 118.52 2hd3 n THR 7 Ca 0.12 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2hd3 n THR 7 Cb 0.48 1.31 0.00 0.00 -2.10 0.00 0.00 70.33 70.01 2hd3 n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hd3 n GLY 8 N 1.37 -0.56 3.14 3.38 0.00 -1.26 -4.94 105.19 106.33 2hd3 n GLY 8 Ca 0.12 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 2hd3 n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hd3 s GLN 9 N -1.06 0.86 -0.01 1.61 1.11 -1.26 -4.67 119.66 116.24 2hd3 s GLN 9 Ca 0.00 -1.40 0.01 0.00 0.01 0.00 0.00 55.36 53.99 2hd3 s GLN 9 Cb 0.00 0.22 0.00 0.00 -1.01 0.00 0.00 33.01 32.22 2hd3 s GLN 9 CO 0.00 -0.23 -0.04 0.42 0.01 0.00 0.00 175.29 175.45 2hd3 s ILE 10 N -4.01 0.37 -0.10 1.08 1.01 -0.59 -4.99 121.20 113.97 2hd3 s ILE 10 Ca 0.21 -0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.72 2hd3 s ILE 10 Cb 0.08 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 42.21 2hd3 s ILE 10 CO -0.01 0.12 -0.23 -0.69 0.00 0.00 0.00 174.94 174.13 2hd3 s VAL 11 N 0.06 1.99 -0.27 2.92 1.01 -1.26 -4.14 120.40 120.71 2hd3 s VAL 11 Ca -0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 2hd3 s VAL 11 Cb -0.04 -1.73 0.08 0.00 0.00 0.00 0.00 36.38 34.70 2hd3 s VAL 11 CO -0.00 0.54 0.05 0.00 0.00 0.00 0.00 175.10 175.69 2hd3 h THR 13 N 6.54 1.30 -3.21 0.00 2.02 -2.03 -3.38 112.91 114.16 2hd3 h THR 13 Ca -0.14 -1.12 -0.70 0.00 0.77 0.00 0.00 66.41 65.22 2hd3 h THR 13 Cb 1.05 1.65 -0.19 0.00 -1.74 0.00 0.00 68.15 68.91 2hd3 h THR 13 CO 0.43 0.34 -0.04 -0.69 0.37 0.00 0.00 175.52 175.93 2hd3 s VAL 14 N -4.62 4.96 0.14 3.16 1.01 -1.26 -5.02 120.40 118.78 2hd3 s VAL 14 Ca -0.14 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 2hd3 s VAL 14 Cb 0.06 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 2hd3 s VAL 14 CO 0.75 -0.80 0.10 0.00 0.00 0.00 0.00 175.10 175.15 2hd3 s ARG 15 N 2.38 0.99 0.09 2.72 1.70 -1.26 -5.12 118.95 120.45 2hd3 s ARG 15 Ca 0.12 -1.42 -0.31 0.00 -0.47 0.00 0.00 55.73 53.65 2hd3 s ARG 15 Cb -0.21 0.27 -0.09 0.00 -0.57 0.00 0.00 34.95 34.34 2hd3 s ARG 15 CO 0.10 -0.30 1.74 -1.58 -1.08 0.00 0.00 175.30 174.18 2hd3 s HIS 16 N -4.05 2.23 0.58 5.89 5.65 -1.26 -4.87 115.29 119.47 2hd3 s HIS 16 Ca 0.24 0.13 0.30 0.00 0.25 0.00 0.00 55.06 55.98 2hd3 s HIS 16 Cb 0.07 -4.07 1.40 0.00 -1.18 0.00 0.00 32.58 28.80 2hd3 s HIS 16 CO 0.02 -4.38 1.79 0.45 -0.65 0.00 0.00 174.74 171.98 2hd3 h HIS 17 N 8.60 0.00 -0.31 3.88 -0.00 -2.00 0.19 115.15 125.51 2hd3 h HIS 17 Ca -0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 59.92 2hd3 h HIS 17 Cb 1.21 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.60 2hd3 h HIS 17 CO 0.80 0.00 0.14 0.78 -0.00 0.00 0.00 177.93 179.65 2hd3 h GLY 18 N 0.00 0.46 1.33 2.45 0.00 -1.91 -2.23 103.07 103.17 2hd3 h GLY 18 Ca 0.32 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2hd3 h GLY 18 CO -0.00 0.19 0.28 1.41 0.00 0.00 0.00 176.54 178.41 2hd3 h LEU 19 N 0.43 0.78 0.00 3.11 3.38 -0.98 -3.47 115.31 118.57 2hd3 h LEU 19 Ca 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2hd3 h LEU 19 Cb 0.06 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2hd3 h LEU 19 CO -0.01 0.68 0.00 0.00 0.09 0.00 0.00 178.44 179.19 2hd3 n ALA 20 N -2.45 0.00 -0.42 1.53 0.00 -0.84 -2.99 120.51 115.34 2hd3 n ALA 20 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 2hd3 n ALA 20 Cb 0.14 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.68 2hd3 n ALA 20 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2hd3 n HIS 21 N 0.00 1.72 -2.99 0.00 8.25 -1.26 -4.94 115.22 115.99 2hd3 n HIS 21 Ca 0.00 -1.47 -0.33 0.00 -0.26 0.00 0.00 57.72 55.66 2hd3 n HIS 21 Cb 0.00 -0.74 -0.06 0.00 1.12 0.00 0.00 29.99 30.31 2hd3 n HIS 21 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2hd3 s ASP 22 N -0.22 6.84 0.20 0.41 1.01 -1.16 -5.05 116.67 118.69 2hd3 s ASP 22 Ca 0.33 1.45 -0.23 0.00 0.71 0.00 0.00 52.55 54.80 2hd3 s ASP 22 Cb 0.27 -2.44 -0.08 0.00 1.01 0.00 0.00 42.92 41.67 2hd3 s ASP 22 CO 0.04 -0.28 0.77 -0.54 0.21 0.00 0.00 175.17 175.37 2hd3 s LYS 23 N -3.09 4.45 -0.33 8.23 3.01 -1.15 -4.89 119.74 125.97 2hd3 s LYS 23 Ca 0.57 1.07 -0.14 0.00 -1.01 0.00 0.00 55.97 56.46 2hd3 s LYS 23 Cb -0.10 -3.09 -0.02 0.00 -1.01 0.00 0.00 37.83 33.61 2hd3 s LYS 23 CO 0.16 0.49 0.31 -0.51 0.51 0.00 0.00 175.35 176.31 2hd3 s LEU 24 N -1.51 4.38 0.00 3.17 1.02 -1.26 -0.51 118.68 123.98 2hd3 s LEU 24 Ca 0.39 -0.22 0.00 0.00 0.02 0.00 0.00 54.13 54.32 2hd3 s LEU 24 Cb -0.20 -2.27 0.00 0.00 0.02 0.00 0.00 46.19 43.74 2hd3 s LEU 24 CO 0.24 -0.26 0.00 0.18 0.02 0.00 0.00 176.35 176.53 2hd3 n LEU 25 N 5.26 0.00 0.00 1.79 4.32 0.71 -1.54 117.00 127.55 2hd3 n LEU 25 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.88 2hd3 n LEU 25 Cb 0.50 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 2hd3 n LEU 25 CO 0.38 0.00 0.00 1.33 -1.22 0.00 0.00 177.39 177.88 2hd3 n VAL 27 N 0.00 0.00 -2.79 4.08 0.24 0.81 -0.75 118.33 119.91 2hd3 n VAL 27 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2hd3 n VAL 27 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2hd3 n VAL 27 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2hd3 n GLU 28 N -0.65 3.39 -3.66 7.34 2.13 -0.55 -1.30 120.64 127.33 2hd3 n GLU 28 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 2hd3 n GLU 28 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 2hd3 n GLU 28 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2hd3 s ILE 30 N 1.12 -0.00 0.80 6.31 1.01 -1.05 -0.75 121.20 128.63 2hd3 s ILE 30 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.54 2hd3 s ILE 30 Cb 0.00 -0.86 0.07 0.00 0.01 0.00 0.00 42.46 41.68 2hd3 s ILE 30 CO 0.00 0.00 1.13 1.51 0.00 0.00 0.00 174.94 177.59 2hd3 s ASP 31 N 0.73 4.60 0.00 3.58 3.84 0.05 -4.76 116.67 124.71 2hd3 s ASP 31 Ca -0.03 1.01 0.00 0.00 -0.00 0.00 0.00 52.55 53.53 2hd3 s ASP 31 Cb -0.05 -1.65 0.00 0.00 -1.38 0.00 0.00 42.92 39.84 2hd3 s ASP 31 CO -0.05 -1.87 0.20 -0.81 -0.00 0.00 0.00 175.17 172.64 2hd3 n PRO 32 N -3.33 0.21 0.00 2.11 -0.04 -1.26 -1.94 135.00 130.75 2hd3 n PRO 32 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2hd3 n PRO 32 Cb 0.59 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 2hd3 n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hd3 n GLN 33 N -0.43 0.14 0.00 0.54 0.00 -1.26 -4.94 117.38 111.43 2hd3 n GLN 33 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 57.00 56.77 2hd3 n GLN 33 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 30.24 29.54 2hd3 n GLN 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2hd3 n GLY 34 N 0.09 1.57 3.73 2.61 0.00 -0.82 -4.97 105.19 107.39 2hd3 n GLY 34 Ca 0.00 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2hd3 n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hd3 s ASN 35 N -0.35 6.80 -0.13 1.61 0.01 -1.26 -4.66 114.94 116.96 2hd3 s ASN 35 Ca 0.00 2.44 -0.29 0.00 -0.71 0.00 0.00 52.86 54.30 2hd3 s ASN 35 Cb 0.00 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 2hd3 s ASN 35 CO 0.00 -0.63 1.79 -2.16 -1.51 0.00 0.00 177.10 174.59 2hd3 s PRO 36 N 0.41 3.87 1.19 -0.60 0.04 -1.26 -0.77 135.00 137.88 2hd3 s PRO 36 Ca 0.61 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 63.52 2hd3 s PRO 36 Cb -0.38 -4.10 0.26 0.00 0.04 0.00 0.00 34.50 30.32 2hd3 s PRO 36 CO 0.35 -1.23 0.57 -0.25 0.04 0.00 0.00 177.00 176.48 2hd3 n ASP 37 N 8.41 -3.41 0.00 6.66 10.43 -1.26 -4.89 116.55 132.49 2hd3 n ASP 37 Ca 0.20 -0.57 -0.09 0.00 2.57 0.00 0.00 54.79 56.90 2hd3 n ASP 37 Cb 0.44 -0.88 -0.14 0.00 1.84 0.00 0.00 41.12 42.38 2hd3 n ASP 37 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 2hd3 h GLY 38 N -3.07 0.04 -3.17 0.44 0.00 -1.99 -3.47 103.07 91.85 2hd3 h GLY 38 Ca -0.32 -0.10 -0.56 0.00 0.00 0.00 0.00 47.33 46.36 2hd3 h GLY 38 CO 0.20 0.08 0.55 -1.06 0.00 0.00 0.00 176.54 176.31 2hd3 n GLN 39 N -3.16 1.80 -4.09 4.80 6.02 -1.26 -5.03 117.38 116.46 2hd3 n GLN 39 Ca -0.14 0.65 -0.11 0.00 -0.01 0.00 0.00 57.00 57.40 2hd3 n GLN 39 Cb 1.03 -2.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.72 2hd3 n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hd3 n ALA 41 N -0.34 0.00 -2.37 0.00 0.00 -0.42 -5.01 120.51 112.36 2hd3 n ALA 41 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2hd3 n ALA 41 Cb 0.64 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.93 2hd3 n ALA 41 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hd3 s VAL 42 N -2.11 2.16 0.03 0.00 1.01 -1.26 -0.14 120.40 120.10 2hd3 s VAL 42 Ca 0.00 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 60.92 2hd3 s VAL 42 Cb 0.00 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2hd3 s VAL 42 CO 0.00 0.58 -0.04 0.00 0.00 0.00 0.00 175.10 175.64 2hd3 s ALA 43 N -0.57 0.31 0.40 5.51 0.00 0.07 -4.74 121.76 122.74 2hd3 s ALA 43 Ca 0.09 -0.72 -0.12 0.00 0.00 0.00 0.00 51.96 51.21 2hd3 s ALA 43 Cb -0.10 0.13 -0.07 0.00 0.00 0.00 0.00 23.12 23.08 2hd3 s ALA 43 CO -0.00 -0.14 0.79 -1.50 0.00 0.00 0.00 175.76 174.90 2hd3 s ILE 44 N -1.74 4.74 0.01 0.00 2.07 -0.53 -0.20 121.20 125.55 2hd3 s ILE 44 Ca -0.11 0.73 0.04 0.00 -1.41 0.00 0.00 60.65 59.89 2hd3 s ILE 44 Cb -0.08 -3.71 -0.01 0.00 0.13 0.00 0.00 42.46 38.78 2hd3 s ILE 44 CO -0.02 -0.49 -0.12 -0.62 -1.91 0.00 0.00 174.94 171.79 2hd3 s ASP 45 N -3.03 1.38 0.00 4.50 -1.08 0.34 -2.41 116.67 116.37 2hd3 s ASP 45 Ca 0.52 -0.32 0.00 0.00 -0.52 0.00 0.00 52.55 52.23 2hd3 s ASP 45 Cb -0.10 -0.11 0.00 0.00 -1.46 0.00 0.00 42.92 41.24 2hd3 s ASP 45 CO 0.29 0.07 0.00 -0.46 0.52 0.00 0.00 175.17 175.60 2hd3 n ASN 46 N 2.36 0.01 -0.01 -0.34 6.94 -1.26 -2.94 115.26 120.02 2hd3 n ASN 46 Ca -0.16 -0.13 -0.16 0.00 -0.02 0.00 0.00 54.58 54.11 2hd3 n ASN 46 Cb 0.56 0.16 -0.14 0.00 -2.36 0.00 0.00 39.78 37.99 2hd3 n ASN 46 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2hd3 n ILE 47 N -0.16 1.69 0.00 1.53 5.41 -1.26 -5.01 119.36 121.56 2hd3 n ILE 47 Ca 0.00 -0.72 0.00 0.00 1.00 0.00 0.00 62.75 63.03 2hd3 n ILE 47 Cb 0.01 -1.40 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 2hd3 n ILE 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2hd3 n GLY 48 N 1.82 0.96 3.70 7.39 0.00 -1.26 -5.09 105.19 112.70 2hd3 n GLY 48 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 2hd3 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hd3 s ALA 49 N -1.29 3.49 0.50 4.61 0.00 -1.26 -5.02 121.76 122.78 2hd3 s ALA 49 Ca 0.00 0.78 -0.02 0.00 0.00 0.00 0.00 51.96 52.72 2hd3 s ALA 49 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2hd3 s ALA 49 CO 0.00 -0.69 0.75 0.20 0.00 0.00 0.00 175.76 176.02 2hd3 s GLY 50 N 1.42 1.58 0.13 0.00 0.00 -1.26 -5.02 107.32 104.18 2hd3 s GLY 50 Ca 0.59 -0.93 -0.31 0.00 0.00 0.00 0.00 44.72 44.06 2hd3 s GLY 50 CO 0.26 -0.72 1.61 -1.08 0.00 0.00 0.00 173.10 173.16 2hd3 s THR 51 N -2.71 2.75 0.00 0.90 -1.32 -1.26 -2.28 115.64 111.73 2hd3 s THR 51 Ca 0.50 0.44 0.00 0.00 -1.21 0.00 0.00 61.69 61.42 2hd3 s THR 51 Cb -0.10 -3.28 0.00 0.00 -1.51 0.00 0.00 72.50 67.61 2hd3 s THR 51 CO 0.40 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.44 2hd3 n GLY 52 N 3.86 3.44 3.76 6.08 0.00 0.13 -5.00 105.19 117.46 2hd3 n GLY 52 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2hd3 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hd3 s GLU 53 N -0.91 2.75 -0.11 1.61 2.02 -0.97 -4.63 118.70 118.48 2hd3 s GLU 53 Ca 0.00 1.49 -0.12 0.00 0.02 0.00 0.00 54.97 56.35 2hd3 s GLU 53 Cb 0.00 -1.94 -0.05 0.00 0.10 0.00 0.00 34.13 32.25 2hd3 s GLU 53 CO 0.00 -1.30 0.28 -1.58 0.02 0.00 0.00 175.26 172.68 2hd3 s TRP 54 N -2.20 3.57 0.22 1.61 0.52 -1.26 -1.35 118.94 120.05 2hd3 s TRP 54 Ca 0.69 0.69 0.02 0.00 0.02 0.00 0.00 56.10 57.52 2hd3 s TRP 54 Cb -0.23 -2.22 -0.05 0.00 -1.15 0.00 0.00 33.47 29.82 2hd3 s TRP 54 CO 0.40 0.48 0.03 0.14 0.02 0.00 0.00 176.95 178.02 2hd3 s VAL 55 N -0.35 0.76 -0.11 4.03 -7.23 0.73 -0.73 120.40 117.49 2hd3 s VAL 55 Ca 0.18 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.34 2hd3 s VAL 55 Cb -0.14 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 2hd3 s VAL 55 CO 0.06 -0.29 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.28 2hd3 s LEU 56 N -3.26 3.11 0.09 1.32 2.96 -0.05 -1.37 118.68 121.48 2hd3 s LEU 56 Ca 0.29 -0.12 0.09 0.00 -0.22 0.00 0.00 54.13 54.18 2hd3 s LEU 56 Cb 0.06 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 2hd3 s LEU 56 CO 0.08 0.26 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.39 2hd3 s LEU 57 N -0.19 2.45 -0.02 -0.68 1.43 0.77 -1.50 118.68 120.95 2hd3 s LEU 57 Ca 0.02 -0.59 0.08 0.00 -1.03 0.00 0.00 54.13 52.61 2hd3 s LEU 57 Cb -0.13 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 2hd3 s LEU 57 CO 0.03 0.21 -0.26 0.54 0.23 0.00 0.00 176.35 177.10 2hd3 s VAL 58 N -1.00 2.02 0.44 -1.59 0.11 0.11 -1.86 120.40 118.64 2hd3 s VAL 58 Ca 0.15 -1.10 0.03 0.00 -2.93 0.00 0.00 61.98 58.13 2hd3 s VAL 58 Cb -0.10 -1.68 -0.04 0.00 -1.53 0.00 0.00 36.38 33.04 2hd3 s VAL 58 CO 0.06 0.57 0.04 -0.94 -3.33 0.00 0.00 175.10 171.50 2hd3 s SER 59 N -0.61 3.56 0.37 3.54 1.04 -1.26 -0.21 113.70 120.14 2hd3 s SER 59 Ca 0.10 -1.56 0.00 0.00 0.48 0.00 0.00 55.95 54.97 2hd3 s SER 59 Cb -0.10 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2hd3 s SER 59 CO -0.01 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.07 2hd3 n GLY 60 N -1.05 -0.01 0.25 7.32 0.00 -0.51 -3.22 105.19 107.97 2hd3 n GLY 60 Ca -0.11 -0.96 0.10 0.00 0.00 0.00 0.00 46.02 45.04 2hd3 n GLY 60 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2hd3 h SER 61 N 6.92 0.00 0.11 1.61 4.64 -1.90 -1.82 113.55 123.12 2hd3 h SER 61 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2hd3 h SER 61 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2hd3 h SER 61 CO 0.00 0.14 -0.50 0.28 -0.87 0.00 0.00 176.83 175.88 2hd3 h SER 62 N 0.00 0.48 -0.95 4.97 0.02 -1.95 -2.78 113.55 113.33 2hd3 h SER 62 Ca -0.00 -0.24 0.04 0.00 -0.84 0.00 0.00 61.79 60.75 2hd3 h SER 62 Cb 0.30 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.65 2hd3 h SER 62 CO 0.02 0.89 0.62 0.00 -1.14 0.00 0.00 176.83 177.22 2hd3 h ALA 63 N 1.12 1.27 0.21 3.77 0.00 -1.30 0.67 119.26 125.01 2hd3 h ALA 63 Ca 0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2hd3 h ALA 63 Cb 1.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2hd3 h ALA 63 CO 0.09 0.48 -0.14 0.00 0.00 0.00 0.00 179.25 179.68 2hd3 h ARG 64 N 1.19 -0.34 -0.16 0.00 3.08 -1.52 -0.18 114.38 116.45 2hd3 h ARG 64 Ca 0.38 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.51 2hd3 h ARG 64 Cb 0.03 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 2hd3 h ARG 64 CO -0.13 -0.23 -0.19 1.96 -1.07 0.00 0.00 179.97 180.31 2hd3 h GLN 65 N -0.35 -0.22 -0.40 0.04 1.08 -1.17 -1.34 115.11 112.74 2hd3 h GLN 65 Ca -0.02 0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.28 2hd3 h GLN 65 Cb 0.30 0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 27.71 2hd3 h GLN 65 CO 0.01 -0.15 -0.11 0.00 -0.95 0.00 0.00 178.83 177.63 2hd3 h ALA 66 N 0.80 0.25 0.27 3.87 0.00 -0.47 -3.08 119.26 120.90 2hd3 h ALA 66 Ca 0.11 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2hd3 h ALA 66 Cb 0.39 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2hd3 h ALA 66 CO -0.29 -0.46 -0.14 1.25 0.00 0.00 0.00 179.25 179.61 2hd3 h HIS 67 N -0.01 -0.38 0.00 0.00 -0.00 -0.61 -3.46 115.15 110.69 2hd3 h HIS 67 Ca 0.19 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.55 2hd3 h HIS 67 Cb 0.30 0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 2hd3 h HIS 67 CO -0.36 -0.22 -0.00 1.17 -0.00 0.00 0.00 177.93 178.51 2hd3 n LYS 68 N -3.09 0.00 0.00 5.26 3.00 -0.59 -5.06 118.16 117.67 2hd3 n LYS 68 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 2hd3 n LYS 68 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 35.03 35.17 2hd3 n LYS 68 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2hd3 n SER 69 N -3.42 0.00 -0.92 3.14 3.41 -0.67 -4.82 113.62 110.35 2hd3 n SER 69 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2hd3 n SER 69 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 2hd3 n SER 69 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2hd3 n GLU 70 N 0.00 1.72 -0.06 4.33 -0.58 -1.26 -3.43 120.64 121.36 2hd3 n GLU 70 Ca 0.00 -0.69 -0.02 0.00 -0.42 0.00 0.00 57.16 56.03 2hd3 n GLU 70 Cb 0.00 -1.57 -0.16 0.00 -0.57 0.00 0.00 31.44 29.14 2hd3 n GLU 70 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2hd3 n THR 71 N 0.14 0.89 -3.14 2.62 -1.04 -1.26 -4.96 114.28 107.53 2hd3 n THR 71 Ca 0.08 -0.72 -0.33 0.00 -2.04 0.00 0.00 64.05 61.04 2hd3 n THR 71 Cb 0.53 -0.32 -0.06 0.00 -1.82 0.00 0.00 70.33 68.66 2hd3 n THR 71 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2hd3 s SER 72 N -5.16 6.79 -0.25 8.00 1.04 -1.22 -4.93 113.70 117.98 2hd3 s SER 72 Ca -0.09 1.29 0.08 0.00 0.48 0.00 0.00 55.95 57.71 2hd3 s SER 72 Cb 0.09 -2.38 0.61 0.00 0.10 0.00 0.00 66.02 64.44 2hd3 s SER 72 CO 0.86 -0.19 1.57 -0.81 0.98 0.00 0.00 173.24 175.65 2hd3 n PRO 73 N -0.28 3.36 -2.91 4.02 -0.04 -1.26 -4.85 135.00 133.03 2hd3 n PRO 73 Ca 0.03 -2.45 -0.34 0.00 -0.04 0.00 0.00 63.50 60.70 2hd3 n PRO 73 Cb 0.53 -2.05 -0.07 0.00 -0.04 0.00 0.00 33.50 31.88 2hd3 n PRO 73 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2hd3 s VAL 74 N -2.46 4.43 0.00 0.52 -7.23 -1.26 -4.98 120.40 109.42 2hd3 s VAL 74 Ca 0.44 1.44 0.00 0.00 -1.81 0.00 0.00 61.98 62.04 2hd3 s VAL 74 Cb 0.35 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.56 2hd3 s VAL 74 CO 0.11 -0.12 0.48 -0.90 -0.31 0.00 0.00 175.10 174.36 2hd3 n ASP 75 N -0.14 0.94 -3.47 4.85 5.75 -1.26 -3.87 116.55 119.35 2hd3 n ASP 75 Ca 0.04 -1.10 -0.12 0.00 -0.01 0.00 0.00 54.79 53.60 2hd3 n ASP 75 Cb 0.53 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.51 2hd3 n ASP 75 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2hd3 s LEU 76 N -0.10 -0.43 0.11 -2.12 2.96 -1.26 -1.43 118.68 116.41 2hd3 s LEU 76 Ca 0.00 0.23 0.09 0.00 -0.22 0.00 0.00 54.13 54.22 2hd3 s LEU 76 Cb 0.00 0.86 -0.04 0.00 0.50 0.00 0.00 46.19 47.52 2hd3 s LEU 76 CO 0.00 -0.29 -0.21 0.00 -1.32 0.00 0.00 176.35 174.52 2hd3 s VAL 78 N -1.26 5.11 -0.31 0.00 0.11 -1.01 -0.71 120.40 122.33 2hd3 s VAL 78 Ca 0.09 1.13 0.03 0.00 -2.93 0.00 0.00 61.98 60.30 2hd3 s VAL 78 Cb -0.09 -3.91 0.06 0.00 -1.53 0.00 0.00 36.38 30.91 2hd3 s VAL 78 CO 0.05 0.24 0.87 2.30 -3.33 0.00 0.00 175.10 175.23 2hd3 n ILE 79 N 4.03 0.59 0.00 7.04 -5.35 -0.56 -4.71 119.36 120.40 2hd3 n ILE 79 Ca -0.04 -0.79 0.00 0.00 -0.27 0.00 0.00 62.75 61.65 2hd3 n ILE 79 Cb 0.51 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 2hd3 n ILE 79 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hd3 n GLY 80 N -0.06 1.59 3.65 3.28 0.00 -1.24 -4.98 105.19 107.43 2hd3 n GLY 80 Ca 0.03 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 2hd3 n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hd3 s ILE 81 N -2.00 5.14 -0.37 -0.61 1.01 -1.26 -0.87 121.20 122.25 2hd3 s ILE 81 Ca 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.46 2hd3 s ILE 81 Cb 0.00 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.10 2hd3 s ILE 81 CO 0.00 0.39 1.47 -0.69 0.00 0.00 0.00 174.94 176.11 2hd3 s VAL 82 N 0.79 3.86 0.08 2.92 1.01 0.09 -4.88 120.40 124.26 2hd3 s VAL 82 Ca 0.06 0.90 -0.07 0.00 0.00 0.00 0.00 61.98 62.87 2hd3 s VAL 82 Cb -0.13 -4.07 -0.26 0.00 0.00 0.00 0.00 36.38 31.91 2hd3 s VAL 82 CO 0.02 -0.63 1.17 0.44 0.00 0.00 0.00 175.10 176.10 2hd3 h ASP 83 N 10.80 0.57 -4.15 3.32 3.45 -1.95 -3.40 116.42 125.06 2hd3 h ASP 83 Ca -0.29 -0.55 0.06 0.00 0.43 0.00 0.00 57.03 56.68 2hd3 h ASP 83 Cb 1.12 -0.18 -0.23 0.00 -0.56 0.00 0.00 39.33 39.48 2hd3 h ASP 83 CO 1.06 1.40 0.50 -1.83 -1.57 0.00 0.00 179.24 178.80 2hd3 s GLU 84 N -2.87 0.64 -0.06 3.56 -1.05 -1.26 0.16 118.70 117.82 2hd3 s GLU 84 Ca -0.06 0.19 0.03 0.00 -0.15 0.00 0.00 54.97 54.99 2hd3 s GLU 84 Cb 0.07 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 2hd3 s GLU 84 CO 0.89 -0.19 -0.15 0.08 0.95 0.00 0.00 175.26 176.84 2hd3 s VAL 85 N -1.02 1.33 -0.20 1.83 1.01 0.38 -4.98 120.40 118.76 2hd3 s VAL 85 Ca -0.02 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 2hd3 s VAL 85 Cb -0.01 -1.17 0.05 0.00 0.00 0.00 0.00 36.38 35.25 2hd3 s VAL 85 CO 0.02 0.39 -0.03 -0.69 0.00 0.00 0.00 175.10 174.79 2hd3 s VAL 86 N 0.33 1.12 -0.14 2.92 1.01 -1.26 -1.11 120.40 123.27 2hd3 s VAL 86 Ca -0.10 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.06 2hd3 s VAL 86 Cb -0.14 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.84 2hd3 s VAL 86 CO 0.03 -0.04 -0.20 -0.55 0.00 0.00 0.00 175.10 174.34 2hd3 s SER 87 N 1.60 2.96 -1.06 3.32 0.15 0.48 -4.80 113.70 116.34 2hd3 s SER 87 Ca -0.02 -0.57 -0.11 0.00 0.70 0.00 0.00 55.95 55.95 2hd3 s SER 87 Cb -0.17 -1.36 -0.04 0.00 -1.71 0.00 0.00 66.02 62.73 2hd3 s SER 87 CO -0.07 0.04 0.86 0.61 1.20 0.00 0.00 173.24 175.88 2hd3 n GLY 88 N 4.28 -1.12 3.19 9.45 0.00 -1.26 -2.46 105.19 117.27 2hd3 n GLY 88 Ca -0.20 0.54 -0.21 0.00 0.00 0.00 0.00 46.02 46.15 2hd3 n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hd3 n GLY 89 N -1.42 -0.49 3.13 -0.02 0.00 -1.26 -4.95 105.19 100.17 2hd3 n GLY 89 Ca -0.08 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 2hd3 n GLY 89 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2hd3 s GLN 90 N -5.84 0.29 -0.49 1.61 0.74 -1.03 -5.10 119.66 109.85 2hd3 s GLN 90 Ca 0.33 0.35 -0.25 0.00 0.05 0.00 0.00 55.36 55.84 2hd3 s GLN 90 Cb -0.17 0.14 0.03 0.00 1.10 0.00 0.00 33.01 34.11 2hd3 s GLN 90 CO 0.41 -0.04 0.90 0.08 -0.55 0.00 0.00 175.29 176.09 2hd3 s VAL 91 N 0.15 4.48 -2.34 1.34 1.01 -1.26 -0.39 120.40 123.39 2hd3 s VAL 91 Ca -0.00 0.53 0.22 0.00 0.00 0.00 0.00 61.98 62.73 2hd3 s VAL 91 Cb -0.02 -4.44 0.46 0.00 0.00 0.00 0.00 36.38 32.38 2hd3 s VAL 91 CO 0.00 -0.90 1.44 2.30 0.00 0.00 0.00 175.10 177.95 2hd3 n ILE 92 N 6.29 0.55 -3.65 2.22 -5.35 -0.26 -4.93 119.36 114.22 2hd3 n ILE 92 Ca 0.04 -0.71 -0.02 0.00 -0.27 0.00 0.00 62.75 61.78 2hd3 n ILE 92 Cb 0.48 0.75 -0.07 0.00 -1.74 0.00 0.00 39.64 39.07 2hd3 n ILE 92 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 2hd3 s PHE 93 N -1.45 -0.08 -0.05 4.28 2.19 -1.19 -4.80 117.98 116.87 2hd3 s PHE 93 Ca 0.39 0.19 -0.02 0.00 0.33 0.00 0.00 56.93 57.82 2hd3 s PHE 93 Cb 0.22 0.41 0.04 0.00 -1.31 0.00 0.00 43.02 42.38 2hd3 s PHE 93 CO 0.30 -0.04 0.10 -1.58 1.83 0.00 0.00 175.22 175.84 2hd3 s HIS 94 N 0.19 -0.07 0.37 10.12 2.46 -1.26 -0.47 115.29 126.63 2hd3 s HIS 94 Ca 0.05 0.38 0.18 0.00 0.47 0.00 0.00 55.06 56.13 2hd3 s HIS 94 Cb -0.05 -0.24 1.14 0.00 -0.13 0.00 0.00 32.58 33.30 2hd3 s HIS 94 CO -0.14 -0.17 1.68 -0.22 -2.47 0.00 0.00 174.74 173.41 2hd3 h LYS 95 N 7.74 0.31 -0.19 2.88 3.11 0.14 0.13 116.57 130.69 2hd3 h LYS 95 Ca -0.31 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.51 2hd3 h LYS 95 Cb 1.13 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.29 2hd3 h LYS 95 CO 0.32 0.20 0.00 1.28 -2.81 0.00 0.00 179.45 178.45 2hd3 n LEU 96 N -4.88 0.19 -0.61 5.20 4.32 -1.26 -5.10 117.00 114.86 2hd3 n LEU 96 Ca 0.31 -0.10 0.08 0.00 -0.02 0.00 0.00 56.01 56.28 2hd3 n LEU 96 Cb 1.03 -0.10 0.06 0.00 -1.62 0.00 0.00 43.42 42.79 2hd3 n LEU 96 CO 0.16 0.05 0.49 -0.62 -1.22 0.00 0.00 177.39 176.25