#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 4.42 0.09 -0.35 1.43 -1.26 0.93 118.68 123.94 2hd3 s LEU 3 Ca 0.00 1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 54.31 2hd3 s LEU 3 Cb 0.00 -3.30 0.02 0.00 0.03 0.00 0.00 46.19 42.94 2hd3 s LEU 3 CO 0.00 0.13 0.29 0.00 0.23 0.00 0.00 176.35 177.00 2hd3 s ALA 4 N -1.35 -0.57 -0.04 4.21 0.00 -0.48 -2.08 121.76 121.45 2hd3 s ALA 4 Ca 0.37 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 52.09 2hd3 s ALA 4 Cb -0.18 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 2hd3 s ALA 4 CO 0.21 -0.53 -0.13 0.08 0.00 0.00 0.00 175.76 175.39 2hd3 s VAL 5 N -3.51 3.14 -0.59 0.00 1.01 0.50 0.26 120.40 121.22 2hd3 s VAL 5 Ca 0.02 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 60.97 2hd3 s VAL 5 Cb 0.02 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 34.18 2hd3 s VAL 5 CO -0.09 0.55 1.14 -0.69 0.00 0.00 0.00 175.10 176.00 2hd3 s VAL 6 N -0.79 4.08 -0.08 2.92 1.01 0.23 -1.06 120.40 126.72 2hd3 s VAL 6 Ca 0.12 0.70 0.14 0.00 0.00 0.00 0.00 61.98 62.95 2hd3 s VAL 6 Cb -0.11 -4.70 -0.16 0.00 0.00 0.00 0.00 36.38 31.41 2hd3 s VAL 6 CO 0.02 -1.34 0.86 0.71 0.00 0.00 0.00 175.10 175.35 2hd3 h THR 7 N 6.11 0.75 -1.32 3.92 1.35 -1.90 0.45 112.91 122.27 2hd3 h THR 7 Ca -0.26 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 2hd3 h THR 7 Cb 1.06 2.27 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 2hd3 h THR 7 CO 1.17 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 177.48 2hd3 n GLY 8 N 1.43 1.54 3.22 5.82 0.00 -1.26 -4.88 105.19 111.06 2hd3 n GLY 8 Ca -0.10 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.18 1.09 -0.15 1.61 1.11 -1.26 -4.63 119.66 116.25 2hd3 s GLN 9 Ca 0.00 -1.53 -0.03 0.00 0.01 0.00 0.00 55.36 53.81 2hd3 s GLN 9 Cb 0.00 -0.13 0.05 0.00 -1.01 0.00 0.00 33.01 31.92 2hd3 s GLN 9 CO 0.00 -0.18 0.04 0.42 0.01 0.00 0.00 175.29 175.58 2hd3 s ILE 10 N -3.77 0.34 -0.17 1.08 1.01 -0.57 -4.97 121.20 114.15 2hd3 s ILE 10 Ca 0.25 -0.25 -0.21 0.00 0.00 0.00 0.00 60.65 60.44 2hd3 s ILE 10 Cb 0.07 -0.77 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 2hd3 s ILE 10 CO 0.04 -0.08 0.63 -0.69 0.00 0.00 0.00 174.94 174.84 2hd3 s VAL 11 N 1.96 5.04 -0.33 2.92 1.01 -1.26 -3.96 120.40 125.78 2hd3 s VAL 11 Ca 0.02 1.21 -0.00 0.00 0.00 0.00 0.00 61.98 63.20 2hd3 s VAL 11 Cb -0.15 -3.95 0.11 0.00 0.00 0.00 0.00 36.38 32.39 2hd3 s VAL 11 CO -0.07 0.16 0.13 0.00 0.00 0.00 0.00 175.10 175.31 2hd3 h THR 13 N 6.21 1.30 -3.63 0.00 1.35 -2.03 -3.41 112.91 112.70 2hd3 h THR 13 Ca -0.11 -2.35 -0.65 0.00 -0.55 0.00 0.00 66.41 62.75 2hd3 h THR 13 Cb 1.00 2.47 -0.16 0.00 -1.73 0.00 0.00 68.15 69.73 2hd3 h THR 13 CO 0.46 0.72 -0.15 -0.69 -0.25 0.00 0.00 175.52 175.61 2hd3 s VAL 14 N -3.21 5.08 0.11 6.82 1.01 -1.26 -5.03 120.40 123.92 2hd3 s VAL 14 Ca -0.09 0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.85 2hd3 s VAL 14 Cb 0.07 -3.91 0.07 0.00 0.00 0.00 0.00 36.38 32.62 2hd3 s VAL 14 CO 0.92 -0.17 0.84 0.00 0.00 0.00 0.00 175.10 176.69 2hd3 s ARG 15 N 2.23 1.14 0.19 2.72 1.70 -1.26 -5.14 118.95 120.54 2hd3 s ARG 15 Ca 0.16 -0.53 -0.33 0.00 -0.47 0.00 0.00 55.73 54.55 2hd3 s ARG 15 Cb -0.16 0.45 -0.14 0.00 -0.57 0.00 0.00 34.95 34.54 2hd3 s ARG 15 CO 0.13 -0.51 1.54 1.58 -1.08 0.00 0.00 175.30 176.95 2hd3 n HIS 16 N -0.37 2.28 0.32 5.89 -0.00 -1.26 -4.85 115.22 117.23 2hd3 n HIS 16 Ca -0.09 0.30 0.18 0.00 -0.00 0.00 0.00 57.72 58.12 2hd3 n HIS 16 Cb 0.62 -2.53 0.95 0.00 -0.00 0.00 0.00 29.99 29.03 2hd3 n HIS 16 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2hd3 h HIS 17 N 5.48 0.00 0.00 1.57 -0.00 -2.00 -0.80 115.15 119.40 2hd3 h HIS 17 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 2hd3 h HIS 17 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.67 2hd3 h HIS 17 CO 0.61 0.00 0.00 0.41 -0.00 0.00 0.00 177.93 178.95 2hd3 n GLY 18 N -1.20 -1.00 0.11 2.45 0.00 -1.26 -2.26 105.19 102.02 2hd3 n GLY 18 Ca -0.02 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.04 2hd3 n GLY 18 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2hd3 h LEU 19 N 0.00 0.00 0.00 0.99 5.85 -1.50 -3.50 115.31 117.15 2hd3 h LEU 19 Ca 0.00 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2hd3 h LEU 19 Cb 0.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2hd3 h LEU 19 CO 0.00 0.04 0.00 0.00 -0.34 0.00 0.00 178.44 178.14 2hd3 n ALA 20 N -2.04 0.00 -0.38 1.25 0.00 -0.96 -2.83 120.51 115.55 2hd3 n ALA 20 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.55 2hd3 n ALA 20 Cb 0.51 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.24 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 14.00 0.93 -1.82 0.00 8.25 -1.26 -5.00 115.22 130.32 2hd3 n HIS 21 Ca 0.00 -0.53 -0.41 0.00 -0.26 0.00 0.00 57.72 56.52 2hd3 n HIS 21 Cb 0.00 -0.06 -0.00 0.00 1.12 0.00 0.00 29.99 31.05 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 -1.01 6.35 0.29 0.41 -0.00 -1.13 -5.00 116.67 116.58 2hd3 s ASP 22 Ca 0.43 3.03 -0.05 0.00 -0.00 0.00 0.00 52.55 55.96 2hd3 s ASP 22 Cb 0.24 -2.67 -0.05 0.00 -0.00 0.00 0.00 42.92 40.44 2hd3 s ASP 22 CO 0.27 -0.87 0.55 -0.54 -0.00 0.00 0.00 175.17 174.59 2hd3 s LYS 23 N -2.09 3.64 -0.23 8.23 1.02 0.86 -4.87 119.74 126.31 2hd3 s LYS 23 Ca 0.53 0.02 -0.10 0.00 0.02 0.00 0.00 55.97 56.44 2hd3 s LYS 23 Cb -0.46 -2.65 -0.05 0.00 -0.52 0.00 0.00 37.83 34.16 2hd3 s LYS 23 CO 0.62 0.22 0.13 -0.51 -0.92 0.00 0.00 175.35 174.89 2hd3 s LEU 24 N -3.51 3.99 0.00 3.17 2.01 -1.25 -1.03 118.68 122.06 2hd3 s LEU 24 Ca 0.44 0.08 0.00 0.00 0.01 0.00 0.00 54.13 54.66 2hd3 s LEU 24 Cb -0.11 -2.06 0.00 0.00 0.01 0.00 0.00 46.19 44.03 2hd3 s LEU 24 CO 0.29 0.08 0.00 0.18 1.01 0.00 0.00 176.35 177.92 2hd3 n LEU 25 N 4.17 0.00 0.00 1.79 4.32 0.18 -1.51 117.00 125.95 2hd3 n LEU 25 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.84 2hd3 n LEU 25 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 2hd3 n LEU 25 CO 0.35 0.00 0.00 1.33 -1.22 0.00 0.00 177.39 177.85 2hd3 n VAL 27 N 0.00 0.00 -3.40 4.08 0.24 0.11 -0.69 118.33 118.66 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 -0.26 1.28 -3.67 7.34 2.13 -0.23 -1.61 120.64 125.62 2hd3 n GLU 28 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2hd3 n GLU 28 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 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 -0.76 -0.28 0.78 6.31 -1.09 -0.89 -0.37 121.20 124.92 2hd3 s ILE 30 Ca 0.00 0.10 -0.11 0.00 -2.23 0.00 0.00 60.65 58.41 2hd3 s ILE 30 Cb 0.00 -0.69 0.06 0.00 -1.58 0.00 0.00 42.46 40.25 2hd3 s ILE 30 CO 0.00 0.04 1.08 1.51 -1.23 0.00 0.00 174.94 176.35 2hd3 s ASP 31 N 1.90 4.54 0.00 3.58 3.84 -0.63 -4.76 116.67 125.15 2hd3 s ASP 31 Ca -0.07 1.56 0.02 0.00 -0.00 0.00 0.00 52.55 54.06 2hd3 s ASP 31 Cb -0.09 -2.31 0.09 0.00 -1.38 0.00 0.00 42.92 39.22 2hd3 s ASP 31 CO -0.14 -1.97 0.66 -0.81 -0.00 0.00 0.00 175.17 172.91 2hd3 n PRO 32 N -3.46 0.04 0.06 2.11 -0.04 -1.26 -0.70 135.00 131.75 2hd3 n PRO 32 Ca 0.08 0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 2hd3 n PRO 32 Cb 0.54 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 2hd3 n PRO 32 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2hd3 n GLN 33 N -1.08 0.51 -0.03 0.54 6.02 -1.26 -4.97 117.38 117.12 2hd3 n GLN 33 Ca 0.01 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2hd3 n GLN 33 Cb 0.01 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 29.57 2hd3 n GLN 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2hd3 n GLY 34 N 1.26 0.98 3.21 1.08 0.00 0.13 -4.96 105.19 106.88 2hd3 n GLY 34 Ca -0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.03 2.72 -0.05 1.61 0.01 -1.25 -4.91 114.94 111.04 2hd3 s ASN 35 Ca 0.00 -0.46 -0.29 0.00 -0.71 0.00 0.00 52.86 51.40 2hd3 s ASN 35 Cb 0.00 -0.87 -0.07 0.00 0.41 0.00 0.00 41.25 40.72 2hd3 s ASN 35 CO 0.00 0.19 1.99 -2.16 -1.51 0.00 0.00 177.10 175.61 2hd3 s PRO 36 N 0.03 3.86 0.00 -0.60 0.04 -1.26 -1.60 135.00 135.47 2hd3 s PRO 36 Ca -0.07 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.35 2hd3 s PRO 36 Cb -0.14 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.20 2hd3 s PRO 36 CO 0.04 -1.27 0.00 -3.47 0.04 0.00 0.00 177.00 172.34 2hd3 n ASP 37 N 8.65 0.00 0.00 6.66 -0.08 -1.26 -4.92 116.55 125.60 2hd3 n ASP 37 Ca 0.22 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.50 2hd3 n ASP 37 Cb 0.42 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.88 2hd3 n ASP 37 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2hd3 n GLY 38 N 2.74 0.81 3.55 0.27 0.00 -1.26 -4.99 105.19 106.32 2hd3 n GLY 38 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2hd3 n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hd3 s GLN 39 N -0.65 2.82 0.57 1.61 -0.21 -1.26 -4.98 119.66 117.57 2hd3 s GLN 39 Ca 0.00 0.21 -0.02 0.00 0.02 0.00 0.00 55.36 55.57 2hd3 s GLN 39 Cb 0.00 -4.43 0.03 0.00 1.00 0.00 0.00 33.01 29.61 2hd3 s GLN 39 CO 0.00 -2.60 0.83 0.00 -2.12 0.00 0.00 175.29 171.40 2hd3 s ALA 41 N -2.87 -1.94 -0.14 0.00 0.00 -0.63 -5.00 121.76 111.18 2hd3 s ALA 41 Ca 0.55 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.80 2hd3 s ALA 41 Cb -0.10 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 2hd3 s ALA 41 CO 0.41 -1.06 0.02 0.08 0.00 0.00 0.00 175.76 175.21 2hd3 s VAL 42 N -2.78 4.41 0.12 0.00 1.01 -1.26 -0.72 120.40 121.18 2hd3 s VAL 42 Ca 0.14 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.01 2hd3 s VAL 42 Cb 0.01 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 2hd3 s VAL 42 CO -0.00 0.52 -0.18 0.00 0.00 0.00 0.00 175.10 175.44 2hd3 s ALA 43 N -0.11 1.73 -0.09 5.51 0.00 0.13 -4.32 121.76 124.60 2hd3 s ALA 43 Ca 0.05 -1.30 -0.11 0.00 0.00 0.00 0.00 51.96 50.59 2hd3 s ALA 43 Cb -0.13 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 2hd3 s ALA 43 CO 0.02 0.25 0.27 -1.50 0.00 0.00 0.00 175.76 174.79 2hd3 s ILE 44 N -1.64 5.29 -0.05 0.00 1.10 -0.05 -0.65 121.20 125.19 2hd3 s ILE 44 Ca 0.09 0.51 0.01 0.00 -0.51 0.00 0.00 60.65 60.75 2hd3 s ILE 44 Cb -0.08 -3.57 0.02 0.00 0.15 0.00 0.00 42.46 38.99 2hd3 s ILE 44 CO 0.04 0.54 -0.05 -0.62 -2.11 0.00 0.00 174.94 172.74 2hd3 s ASP 45 N -0.61 1.21 -0.09 4.50 2.15 -0.20 -1.64 116.67 121.99 2hd3 s ASP 45 Ca 0.18 -0.16 0.13 0.00 0.43 0.00 0.00 52.55 53.13 2hd3 s ASP 45 Cb -0.14 -0.52 0.20 0.00 -0.30 0.00 0.00 42.92 42.16 2hd3 s ASP 45 CO 0.07 -0.06 1.10 -0.46 -0.17 0.00 0.00 175.17 175.65 2hd3 n ASN 46 N 4.21 1.57 -0.10 -0.34 2.04 -1.26 -0.10 115.26 121.28 2hd3 n ASN 46 Ca -0.22 -2.75 -0.14 0.00 -0.44 0.00 0.00 54.58 51.03 2hd3 n ASN 46 Cb 0.51 -0.36 -0.09 0.00 -2.53 0.00 0.00 39.78 37.31 2hd3 n ASN 46 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 2hd3 n ILE 47 N -0.95 1.15 0.00 1.53 5.41 -1.26 -5.04 119.36 120.20 2hd3 n ILE 47 Ca 0.11 -0.44 0.00 0.00 1.00 0.00 0.00 62.75 63.42 2hd3 n ILE 47 Cb 0.67 -1.21 0.00 0.00 -0.71 0.00 0.00 39.64 38.39 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 2.54 0.69 3.66 7.39 0.00 -1.26 -5.10 105.19 113.11 2hd3 n GLY 48 Ca -0.35 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.99 3.54 0.80 4.61 0.00 -1.26 -5.07 121.76 123.38 2hd3 s ALA 49 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 2hd3 s ALA 49 Cb 0.00 -2.91 0.09 0.00 0.00 0.00 0.00 23.12 20.30 2hd3 s ALA 49 CO 0.00 -0.49 1.14 0.20 0.00 0.00 0.00 175.76 176.61 2hd3 s GLY 50 N 1.16 1.65 0.28 0.00 0.00 -1.26 -5.00 107.32 104.16 2hd3 s GLY 50 Ca 0.27 -0.84 -0.29 0.00 0.00 0.00 0.00 44.72 43.86 2hd3 s GLY 50 CO 0.10 -0.34 1.28 -1.08 0.00 0.00 0.00 173.10 173.06 2hd3 s THR 51 N -3.51 2.98 0.00 0.90 -1.32 -1.26 -2.60 115.64 110.83 2hd3 s THR 51 Ca 0.63 0.92 0.00 0.00 -1.21 0.00 0.00 61.69 62.04 2hd3 s THR 51 Cb -0.10 -3.59 0.00 0.00 -1.51 0.00 0.00 72.50 67.30 2hd3 s THR 51 CO 0.48 0.20 0.00 0.61 -2.21 0.00 0.00 174.62 173.70 2hd3 n GLY 52 N 1.36 1.71 3.89 6.08 0.00 0.16 -4.97 105.19 113.42 2hd3 n GLY 52 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.35 3.53 -0.14 1.61 2.02 -1.07 -4.71 118.70 119.60 2hd3 s GLU 53 Ca 0.00 0.37 -0.07 0.00 0.02 0.00 0.00 54.97 55.30 2hd3 s GLU 53 Cb 0.00 -2.27 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 2hd3 s GLU 53 CO 0.00 -0.35 0.11 -1.58 0.02 0.00 0.00 175.26 173.46 2hd3 s TRP 54 N -2.90 3.45 0.27 1.61 0.52 -1.26 -0.60 118.94 120.03 2hd3 s TRP 54 Ca 0.50 0.38 0.02 0.00 0.02 0.00 0.00 56.10 57.02 2hd3 s TRP 54 Cb -0.11 -1.98 -0.05 0.00 -1.15 0.00 0.00 33.47 30.19 2hd3 s TRP 54 CO 0.48 0.54 0.08 0.14 0.02 0.00 0.00 176.95 178.21 2hd3 s VAL 55 N -0.57 0.70 -0.19 4.03 -7.23 0.14 -0.39 120.40 116.89 2hd3 s VAL 55 Ca 0.12 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.24 2hd3 s VAL 55 Cb -0.12 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 2hd3 s VAL 55 CO 0.02 -0.03 0.00 -0.22 -0.31 0.00 0.00 175.10 174.57 2hd3 s LEU 56 N -3.34 3.32 -0.04 1.32 2.96 -0.75 -1.38 118.68 120.77 2hd3 s LEU 56 Ca 0.37 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 2hd3 s LEU 56 Cb 0.08 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 2hd3 s LEU 56 CO 0.14 0.10 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.45 2hd3 s LEU 57 N 0.81 3.27 0.04 -0.68 1.43 0.27 -1.67 118.68 122.14 2hd3 s LEU 57 Ca 0.01 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 2hd3 s LEU 57 Cb -0.14 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 2hd3 s LEU 57 CO 0.02 0.34 -0.08 0.54 0.23 0.00 0.00 176.35 177.39 2hd3 s VAL 58 N -0.90 0.60 -0.56 -1.59 0.11 -0.43 0.27 120.40 117.90 2hd3 s VAL 58 Ca 0.14 -1.03 -0.27 0.00 -2.93 0.00 0.00 61.98 57.90 2hd3 s VAL 58 Cb -0.11 -0.64 0.03 0.00 -1.53 0.00 0.00 36.38 34.13 2hd3 s VAL 58 CO 0.04 -0.31 1.12 -0.44 -3.33 0.00 0.00 175.10 172.17 2hd3 s SER 59 N -1.46 6.43 0.00 3.54 0.01 -1.26 -1.70 113.70 119.26 2hd3 s SER 59 Ca -0.08 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.18 2hd3 s SER 59 Cb -0.09 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2hd3 s SER 59 CO 0.01 -1.39 0.00 0.61 0.41 0.00 0.00 173.24 172.87 2hd3 n GLY 60 N 5.06 5.55 3.64 3.44 0.00 0.58 -5.02 105.19 118.45 2hd3 n GLY 60 Ca 0.07 -1.08 -0.06 0.00 0.00 0.00 0.00 46.02 44.94 2hd3 n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hd3 s SER 61 N 1.00 -0.34 0.00 1.61 1.04 -1.26 -4.12 113.70 111.62 2hd3 s SER 61 Ca 0.00 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.07 2hd3 s SER 61 Cb 0.00 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.85 2hd3 s SER 61 CO 0.00 -0.11 0.00 0.52 0.98 0.00 0.00 173.24 174.63 2hd3 n VAL 74 N 2.27 -1.92 0.00 5.02 0.31 -1.26 -5.15 118.33 117.60 2hd3 n VAL 74 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2hd3 n VAL 74 Cb 0.56 -3.84 0.00 0.00 -0.91 0.00 0.00 33.84 29.65 2hd3 n VAL 74 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2hd3 n ASP 75 N -0.05 2.13 -4.74 4.52 2.03 -1.26 -5.04 116.55 114.14 2hd3 n ASP 75 Ca 0.00 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.95 2hd3 n ASP 75 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 2hd3 n ASP 75 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2hd3 s LEU 76 N -4.66 4.26 -0.00 -2.67 1.43 -1.26 -0.30 118.68 115.47 2hd3 s LEU 76 Ca 0.00 0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 2hd3 s LEU 76 Cb 0.00 -2.34 -0.00 0.00 0.03 0.00 0.00 46.19 43.88 2hd3 s LEU 76 CO 0.00 0.13 -0.03 0.00 0.23 0.00 0.00 176.35 176.69 2hd3 s VAL 78 N 0.01 5.05 -1.16 0.00 0.11 -0.65 -1.32 120.40 122.44 2hd3 s VAL 78 Ca 0.00 1.01 0.10 0.00 -2.93 0.00 0.00 61.98 60.16 2hd3 s VAL 78 Cb -0.02 -3.88 0.06 0.00 -1.53 0.00 0.00 36.38 31.02 2hd3 s VAL 78 CO -0.00 0.09 0.78 2.30 -3.33 0.00 0.00 175.10 174.93 2hd3 n ILE 79 N 4.98 0.00 -3.47 7.04 -5.35 -0.67 -4.67 119.36 117.22 2hd3 n ILE 79 Ca -0.03 -0.49 -0.10 0.00 -0.27 0.00 0.00 62.75 61.86 2hd3 n ILE 79 Cb 0.50 1.19 -0.02 0.00 -1.74 0.00 0.00 39.64 39.56 2hd3 n ILE 79 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2hd3 s GLY 80 N -0.89 -0.53 -0.12 3.28 0.00 -1.25 -4.99 107.32 102.82 2hd3 s GLY 80 Ca 0.11 0.82 0.01 0.00 0.00 0.00 0.00 44.72 45.66 2hd3 s GLY 80 CO 0.14 0.29 -0.14 -0.42 0.00 0.00 0.00 173.10 172.98 2hd3 s ILE 81 N -3.29 3.00 -0.20 0.90 1.01 -1.26 -1.80 121.20 119.57 2hd3 s ILE 81 Ca 0.03 -0.69 -0.27 0.00 0.00 0.00 0.00 60.65 59.72 2hd3 s ILE 81 Cb -0.01 -2.24 -0.00 0.00 0.01 0.00 0.00 42.46 40.21 2hd3 s ILE 81 CO -0.10 0.54 0.93 -0.69 0.00 0.00 0.00 174.94 175.62 2hd3 s VAL 82 N 0.20 4.78 -0.02 2.92 1.01 0.47 -4.94 120.40 124.83 2hd3 s VAL 82 Ca -0.08 1.83 0.07 0.00 0.00 0.00 0.00 61.98 63.80 2hd3 s VAL 82 Cb -0.15 -4.22 -0.24 0.00 0.00 0.00 0.00 36.38 31.77 2hd3 s VAL 82 CO 0.05 -0.07 0.75 0.44 0.00 0.00 0.00 175.10 176.27 2hd3 h ASP 83 N 7.41 0.11 -4.52 3.32 3.45 -1.96 -3.42 116.42 120.81 2hd3 h ASP 83 Ca -0.25 -0.20 0.24 0.00 0.43 0.00 0.00 57.03 57.26 2hd3 h ASP 83 Cb 1.10 -0.04 -0.17 0.00 -0.56 0.00 0.00 39.33 39.66 2hd3 h ASP 83 CO 0.90 1.17 0.76 -1.83 -1.57 0.00 0.00 179.24 178.67 2hd3 s GLU 84 N -2.61 0.42 -0.02 3.56 -1.05 -1.26 0.06 118.70 117.80 2hd3 s GLU 84 Ca -0.07 -0.17 0.02 0.00 -0.15 0.00 0.00 54.97 54.60 2hd3 s GLU 84 Cb 0.08 0.18 0.01 0.00 -0.44 0.00 0.00 34.13 33.96 2hd3 s GLU 84 CO 0.82 -0.19 -0.05 0.08 0.95 0.00 0.00 175.26 176.87 2hd3 s VAL 85 N -2.55 0.48 -0.13 1.83 1.01 -0.17 -4.97 120.40 115.90 2hd3 s VAL 85 Ca 0.09 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.91 2hd3 s VAL 85 Cb -0.00 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.94 2hd3 s VAL 85 CO -0.05 0.17 -0.20 -0.69 0.00 0.00 0.00 175.10 174.32 2hd3 s VAL 86 N 0.28 1.91 0.00 2.92 1.01 -1.26 -1.97 120.40 123.29 2hd3 s VAL 86 Ca -0.03 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2hd3 s VAL 86 Cb -0.07 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.62 2hd3 s VAL 86 CO -0.00 0.52 0.00 -1.54 0.00 0.00 0.00 175.10 174.08 2hd3 n SER 87 N 4.02 0.00 -2.35 3.32 3.41 0.07 -4.86 113.62 117.22 2hd3 n SER 87 Ca -0.20 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.38 2hd3 n SER 87 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 2hd3 n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hd3 n GLY 88 N 5.00 1.52 1.09 5.00 0.00 -1.26 -4.00 105.19 112.54 2hd3 n GLY 88 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 2.84 0.71 3.51 -0.02 0.00 -1.26 -5.06 105.19 105.90 2hd3 n GLY 89 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2hd3 n GLY 89 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hd3 s GLN 90 N -0.62 1.99 -0.58 1.61 1.11 -1.26 -5.08 119.66 116.84 2hd3 s GLN 90 Ca 0.00 -1.06 -0.21 0.00 0.01 0.00 0.00 55.36 54.10 2hd3 s GLN 90 Cb 0.00 -2.20 0.07 0.00 -1.01 0.00 0.00 33.01 29.87 2hd3 s GLN 90 CO 0.00 0.51 0.78 0.08 0.01 0.00 0.00 175.29 176.67 2hd3 s VAL 91 N -1.09 4.64 -0.50 1.09 1.01 -1.26 -0.76 120.40 123.53 2hd3 s VAL 91 Ca 0.18 -0.49 0.24 0.00 0.00 0.00 0.00 61.98 61.91 2hd3 s VAL 91 Cb -0.11 -4.49 0.20 0.00 0.00 0.00 0.00 36.38 31.98 2hd3 s VAL 91 CO 0.10 -1.12 1.47 0.16 0.00 0.00 0.00 175.10 175.71 2hd3 h ILE 92 N 5.93 0.00 -2.39 2.22 3.07 -1.77 -3.47 117.51 121.11 2hd3 h ILE 92 Ca -0.28 -0.78 -0.08 0.00 1.55 0.00 0.00 64.86 65.26 2hd3 h ILE 92 Cb 1.08 1.59 -0.22 0.00 -0.27 0.00 0.00 36.82 39.01 2hd3 h ILE 92 CO 1.08 0.00 -0.05 0.12 -1.05 0.00 0.00 178.15 178.25 2hd3 s PHE 93 N -3.21 -0.59 -0.21 0.16 2.19 -1.19 -4.91 117.98 110.23 2hd3 s PHE 93 Ca 0.06 1.39 -0.07 0.00 0.33 0.00 0.00 56.93 58.64 2hd3 s PHE 93 Cb 0.09 0.22 0.09 0.00 -1.31 0.00 0.00 43.02 42.11 2hd3 s PHE 93 CO 0.69 -0.33 0.44 -1.58 1.83 0.00 0.00 175.22 176.27 2hd3 s HIS 94 N 0.07 -0.83 0.13 10.12 2.46 -1.26 -1.00 115.29 124.98 2hd3 s HIS 94 Ca -0.02 1.58 -0.32 0.00 0.47 0.00 0.00 55.06 56.77 2hd3 s HIS 94 Cb -0.04 0.35 -0.12 0.00 -0.13 0.00 0.00 32.58 32.64 2hd3 s HIS 94 CO 0.02 -0.49 1.75 1.17 -2.47 0.00 0.00 174.74 174.73 2hd3 n LYS 95 N 5.28 2.58 0.00 2.88 4.81 0.11 -4.98 118.16 128.84 2hd3 n LYS 95 Ca -0.10 0.94 0.16 0.00 -0.87 0.00 0.00 58.31 58.43 2hd3 n LYS 95 Cb 0.50 -2.79 0.94 0.00 0.02 0.00 0.00 35.03 33.70 2hd3 n LYS 95 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04