#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hia s ILE 17 N 0.00 5.04 -1.56 1.39 -1.09 -1.26 -4.51 121.20 119.21 1hia s ILE 17 Ca 0.00 0.72 0.00 0.00 -2.23 0.00 0.00 60.65 59.14 1hia s ILE 17 Cb 0.00 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.19 1hia s ILE 17 CO 0.00 0.48 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 1hia n GLY 18 N 1.51 0.38 0.00 6.18 0.00 -1.26 -4.96 105.19 107.04 1hia n GLY 18 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1hia n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hia n GLY 19 N -0.66 3.37 3.59 -0.02 0.00 -1.26 -5.17 105.19 105.04 1hia n GLY 19 Ca -0.18 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 43.88 1hia n GLY 19 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1hia s ARG 20 N 3.07 1.48 0.18 1.61 1.70 -1.26 -5.14 118.95 120.59 1hia s ARG 20 Ca 0.00 -0.69 -0.33 0.00 -0.47 0.00 0.00 55.73 54.24 1hia s ARG 20 Cb 0.00 0.59 -0.15 0.00 -0.57 0.00 0.00 34.95 34.83 1hia s ARG 20 CO 0.00 -0.66 1.35 -1.91 -1.08 0.00 0.00 175.30 173.00 1hia n GLU 21 N -0.41 1.66 -1.95 3.89 2.13 -1.26 -4.96 120.64 119.74 1hia n GLU 21 Ca -0.12 0.59 -0.31 0.00 0.66 0.00 0.00 57.16 57.98 1hia n GLU 21 Cb 0.63 -2.22 0.01 0.00 0.27 0.00 0.00 31.44 30.13 1hia n GLU 21 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1hia s GLU 23 N -4.78 4.17 0.00 0.00 8.01 -1.26 -4.79 118.70 120.05 1hia s GLU 23 Ca 0.57 2.48 0.00 0.00 0.01 0.00 0.00 54.97 58.03 1hia s GLU 23 Cb -0.12 -3.10 0.00 0.00 -4.31 0.00 0.00 34.13 26.60 1hia s GLU 23 CO 0.47 -0.64 0.70 1.63 0.01 0.00 0.00 175.26 177.43 1hia n LYS 24 N 3.48 0.00 -0.19 1.61 5.02 -1.26 -1.05 118.16 125.77 1hia n LYS 24 Ca 0.13 0.21 0.05 0.00 -2.02 0.00 0.00 58.31 56.67 1hia n LYS 24 Cb 0.37 -1.77 0.06 0.00 -0.02 0.00 0.00 35.03 33.68 1hia n LYS 24 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1hia n ASN 25 N -1.20 1.34 -1.18 4.39 6.94 -1.26 -4.76 115.26 119.54 1hia n ASN 25 Ca 0.00 -2.42 0.08 0.00 -0.02 0.00 0.00 54.58 52.22 1hia n ASN 25 Cb 0.27 -0.26 0.28 0.00 -2.36 0.00 0.00 39.78 37.71 1hia n ASN 25 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1hia n SER 26 N -0.73 4.16 -2.73 0.53 3.41 -0.21 -4.59 113.62 113.46 1hia n SER 26 Ca 0.07 -2.58 -0.04 0.00 -0.26 0.00 0.00 58.87 56.06 1hia n SER 26 Cb 0.60 -0.50 0.07 0.00 -0.26 0.00 0.00 64.21 64.12 1hia n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hia n HIS 27 N 0.40 -0.04 0.16 7.33 1.44 -1.26 -4.95 115.22 118.30 1hia n HIS 27 Ca 0.21 -2.19 0.06 0.00 -2.01 0.00 0.00 57.72 53.79 1hia n HIS 27 Cb 0.82 0.39 0.29 0.00 0.12 0.00 0.00 29.99 31.60 1hia n HIS 27 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1hia n PRO 28 N -0.66 0.07 -0.01 -1.40 -0.04 -1.26 -1.52 135.00 130.17 1hia n PRO 28 Ca 0.01 0.51 0.12 0.00 -0.04 0.00 0.00 63.50 64.10 1hia n PRO 28 Cb 0.83 -1.69 0.23 0.00 -0.04 0.00 0.00 33.50 32.83 1hia n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1hia n TRP 29 N -1.83 0.04 -2.83 0.54 4.27 -1.26 -4.73 117.44 111.63 1hia n TRP 29 Ca 0.00 -0.02 -0.40 0.00 -3.89 0.00 0.00 57.50 53.19 1hia n TRP 29 Cb 0.06 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 29.96 1hia n TRP 29 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 1hia s GLN 30 N -1.96 4.66 0.10 -2.67 2.00 -0.58 -0.96 119.66 120.25 1hia s GLN 30 Ca 0.31 1.32 0.10 0.00 -2.00 0.00 0.00 55.36 55.10 1hia s GLN 30 Cb 0.20 -3.34 -0.04 0.00 0.80 0.00 0.00 33.01 30.64 1hia s GLN 30 CO 0.31 0.34 -0.26 0.08 -0.50 0.00 0.00 175.29 175.26 1hia s VAL 31 N -0.40 2.26 -0.15 1.34 1.01 -0.70 -4.49 120.40 119.27 1hia s VAL 31 Ca 0.42 -1.59 -0.01 0.00 0.00 0.00 0.00 61.98 60.80 1hia s VAL 31 Cb -0.23 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 1hia s VAL 31 CO 0.28 0.20 -0.12 0.00 0.00 0.00 0.00 175.10 175.47 1hia s ALA 32 N -0.96 2.66 -0.19 5.51 0.00 -0.85 -1.88 121.76 126.05 1hia s ALA 32 Ca 0.13 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1hia s ALA 32 Cb -0.10 -1.30 0.03 0.00 0.00 0.00 0.00 23.12 21.75 1hia s ALA 32 CO 0.05 0.12 -0.15 0.42 0.00 0.00 0.00 175.76 176.20 1hia s ILE 33 N 0.56 1.86 0.25 0.00 1.01 -0.59 -1.07 121.20 123.22 1hia s ILE 33 Ca -0.07 -1.00 0.06 0.00 0.00 0.00 0.00 60.65 59.64 1hia s ILE 33 Cb -0.15 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 1hia s ILE 33 CO 0.03 0.34 0.25 -0.31 0.00 0.00 0.00 174.94 175.25 1hia s TYR 34 N 1.33 3.21 -0.26 3.97 1.51 -0.45 -1.23 117.35 125.43 1hia s TYR 34 Ca 0.01 -0.09 0.00 0.00 -1.01 0.00 0.00 57.07 55.99 1hia s TYR 34 Cb -0.15 -1.47 0.07 0.00 -0.11 0.00 0.00 41.96 40.31 1hia s TYR 34 CO -0.10 0.48 0.00 -1.58 -1.11 0.00 0.00 175.55 173.24 1hia s HIS 35 N -2.09 2.23 -0.97 2.71 2.46 0.10 -2.40 115.29 117.33 1hia s HIS 35 Ca 0.34 -1.77 -0.13 0.00 0.47 0.00 0.00 55.06 53.97 1hia s HIS 35 Cb -0.08 -1.68 0.01 0.00 -0.13 0.00 0.00 32.58 30.70 1hia s HIS 35 CO 0.26 -0.79 0.66 0.66 -2.47 0.00 0.00 174.74 173.06 1hia n TYR 36 N 4.71 -1.91 -0.45 3.88 4.01 -1.26 -1.75 117.16 124.39 1hia n TYR 36 Ca -0.08 0.59 0.00 0.00 -0.16 0.00 0.00 57.90 58.25 1hia n TYR 36 Cb 0.44 -2.95 0.00 0.00 -0.31 0.00 0.00 39.34 36.52 1hia n TYR 36 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1hia n SER 38 N -2.43 0.00 -4.50 7.72 3.41 -1.26 -4.99 113.62 111.57 1hia n SER 38 Ca -0.21 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.06 1hia n SER 38 Cb 0.63 -0.56 -0.12 0.00 -0.26 0.00 0.00 64.21 63.90 1hia n SER 38 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1hia s SER 39 N -3.07 4.85 0.13 4.04 0.15 -0.71 -5.08 113.70 114.01 1hia s SER 39 Ca 0.00 -0.12 -0.31 0.00 0.70 0.00 0.00 55.95 56.22 1hia s SER 39 Cb 0.00 -1.80 -0.08 0.00 -1.71 0.00 0.00 66.02 62.44 1hia s SER 39 CO 0.00 0.16 1.34 0.12 1.20 0.00 0.00 173.24 176.06 1hia s PHE 40 N 0.40 3.28 -0.01 3.44 5.36 -1.26 0.02 117.98 129.21 1hia s PHE 40 Ca -0.03 1.08 -0.04 0.00 -0.96 0.00 0.00 56.93 56.98 1hia s PHE 40 Cb -0.14 -3.62 -0.02 0.00 -0.34 0.00 0.00 43.02 38.90 1hia s PHE 40 CO 0.03 -2.07 -0.08 1.04 -1.46 0.00 0.00 175.22 172.68 1hia n GLN 41 N 3.59 0.13 -4.11 10.12 6.02 -0.37 -4.87 117.38 127.89 1hia n GLN 41 Ca 0.10 0.05 -0.11 0.00 -0.01 0.00 0.00 57.00 57.03 1hia n GLN 41 Cb 0.43 -0.72 -0.08 0.00 1.02 0.00 0.00 30.24 30.90 1hia n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1hia n GLY 43 N -0.34 2.33 2.00 0.00 0.00 -1.26 -1.54 105.19 106.38 1hia n GLY 43 Ca 0.01 -2.26 -0.02 0.00 0.00 0.00 0.00 46.02 43.75 1hia n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hia n GLY 44 N -1.71 1.05 3.08 -0.02 0.00 -0.79 -4.68 105.19 102.11 1hia n GLY 44 Ca 0.08 -1.06 -0.16 0.00 0.00 0.00 0.00 46.02 44.88 1hia n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hia s VAL 45 N -2.35 0.72 -0.55 1.61 1.01 0.14 -1.72 120.40 119.26 1hia s VAL 45 Ca 0.11 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 60.93 1hia s VAL 45 Cb -0.02 -0.71 0.05 0.00 0.00 0.00 0.00 36.38 35.70 1hia s VAL 45 CO 0.04 -0.18 0.89 -0.22 0.00 0.00 0.00 175.10 175.63 1hia s LEU 46 N -1.23 4.27 0.15 3.92 2.96 -0.13 0.42 118.68 129.04 1hia s LEU 46 Ca -0.04 -0.51 0.21 0.00 -0.22 0.00 0.00 54.13 53.57 1hia s LEU 46 Cb -0.08 -2.72 -0.07 0.00 0.50 0.00 0.00 46.19 43.82 1hia s LEU 46 CO 0.01 -1.19 0.93 0.55 -1.32 0.00 0.00 176.35 175.32 1hia n VAL 47 N 6.07 0.66 -3.56 1.68 3.14 -1.00 -4.95 118.33 120.38 1hia n VAL 47 Ca -0.00 -0.57 -0.14 0.00 -2.96 0.00 0.00 64.34 60.67 1hia n VAL 47 Cb 0.47 -0.37 -0.05 0.00 -1.06 0.00 0.00 33.84 32.83 1hia n VAL 47 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1hia s ASN 48 N -5.34 -0.46 0.59 6.55 2.47 -1.00 -5.00 114.94 112.76 1hia s ASN 48 Ca -0.02 0.17 0.29 0.00 0.42 0.00 0.00 52.86 53.73 1hia s ASN 48 Cb 0.10 0.50 1.71 0.00 -1.45 0.00 0.00 41.25 42.12 1hia s ASN 48 CO 0.81 -0.74 2.14 -0.65 -3.72 0.00 0.00 177.10 174.94 1hia h PRO 49 N 2.71 0.00 -0.02 0.43 0.11 -2.02 -1.32 132.00 131.89 1hia h PRO 49 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1hia h PRO 49 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1hia h PRO 49 CO 0.41 0.00 -0.02 1.17 -0.21 0.00 0.00 178.00 179.35 1hia n LYS 50 N -3.79 1.11 -4.48 1.05 4.81 -1.26 -4.99 118.16 110.61 1hia n LYS 50 Ca 0.00 -1.35 -0.20 0.00 -0.87 0.00 0.00 58.31 55.89 1hia n LYS 50 Cb 0.25 -1.28 -0.15 0.00 0.02 0.00 0.00 35.03 33.88 1hia n LYS 50 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1hia s TRP 51 N -1.27 1.00 -0.07 5.64 0.52 -0.50 -5.09 118.94 119.16 1hia s TRP 51 Ca 0.17 -0.19 0.05 0.00 0.02 0.00 0.00 56.10 56.15 1hia s TRP 51 Cb 0.12 -0.64 -0.01 0.00 -1.15 0.00 0.00 33.47 31.80 1hia s TRP 51 CO 0.20 -0.02 -0.25 0.08 0.02 0.00 0.00 176.95 176.98 1hia s VAL 52 N -0.29 2.05 -0.12 4.03 1.01 -1.26 -2.36 120.40 123.46 1hia s VAL 52 Ca 0.04 -1.04 -0.09 0.00 0.00 0.00 0.00 61.98 60.89 1hia s VAL 52 Cb -0.04 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1hia s VAL 52 CO -0.00 0.56 0.19 -0.22 0.00 0.00 0.00 175.10 175.63 1hia s LEU 53 N 0.04 4.37 0.00 3.92 2.96 0.17 -4.91 118.68 125.23 1hia s LEU 53 Ca -0.10 0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 54.26 1hia s LEU 53 Cb -0.15 -2.16 0.03 0.00 0.50 0.00 0.00 46.19 44.40 1hia s LEU 53 CO 0.06 0.35 0.57 1.07 -1.32 0.00 0.00 176.35 177.08 1hia n THR 54 N 2.25 0.00 -2.83 3.68 5.66 -1.26 -0.68 114.28 121.11 1hia n THR 54 Ca -0.18 -1.44 -0.37 0.00 -3.05 0.00 0.00 64.05 59.01 1hia n THR 54 Cb 0.54 1.01 -0.06 0.00 -1.55 0.00 0.00 70.33 70.27 1hia n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hia s ALA 55 N -2.48 3.25 0.47 1.79 0.00 -1.26 -4.95 121.76 118.58 1hia s ALA 55 Ca 0.23 0.48 0.14 0.00 0.00 0.00 0.00 51.96 52.81 1hia s ALA 55 Cb -0.02 -3.13 1.09 0.00 0.00 0.00 0.00 23.12 21.06 1hia s ALA 55 CO 0.17 0.20 2.06 0.00 0.00 0.00 0.00 175.76 178.19 1hia h ALA 56 N 3.29 1.82 0.00 0.00 0.00 -2.01 -1.99 119.26 120.38 1hia h ALA 56 Ca -0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1hia h ALA 56 Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1hia h ALA 56 CO 0.65 0.14 0.00 -2.39 0.00 0.00 0.00 179.25 177.65 1hia n HIS 57 N -4.43 0.00 0.57 0.00 1.44 -1.26 -2.95 115.22 108.59 1hia n HIS 57 Ca -0.02 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.80 1hia n HIS 57 Cb 0.16 0.00 0.26 0.00 0.12 0.00 0.00 29.99 30.53 1hia n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1hia s LYS 59 N -1.57 4.57 0.00 0.00 -2.85 -1.15 -4.98 119.74 113.76 1hia s LYS 59 Ca 0.37 1.67 0.00 0.00 -1.00 0.00 0.00 55.97 57.01 1hia s LYS 59 Cb 0.21 -3.05 0.00 0.00 -2.06 0.00 0.00 37.83 32.93 1hia s LYS 59 CO 0.30 0.19 0.00 -1.71 0.10 0.00 0.00 175.35 174.23 1hia n ASN 60 N 0.94 0.00 0.05 0.03 4.05 -1.26 -5.05 115.26 114.02 1hia n ASN 60 Ca 0.00 -0.82 0.12 0.00 0.45 0.00 0.00 54.58 54.33 1hia n ASN 60 Cb 0.46 0.00 0.23 0.00 1.23 0.00 0.00 39.78 41.71 1hia n ASN 60 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 1hia n ASP 61 N -1.95 0.65 -3.74 1.20 5.68 -1.26 -4.88 116.55 112.26 1hia n ASP 61 Ca 0.00 0.14 -0.12 0.00 -0.50 0.00 0.00 54.79 54.31 1hia n ASP 61 Cb 0.00 0.02 -0.11 0.00 -1.14 0.00 0.00 41.12 39.90 1hia n ASP 61 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1hia s ASN 62 N -4.04 -0.40 -0.03 -1.12 2.47 -1.26 -5.15 114.94 105.41 1hia s ASN 62 Ca 0.08 0.76 0.02 0.00 0.42 0.00 0.00 52.86 54.13 1hia s ASN 62 Cb 0.14 0.73 0.01 0.00 -1.45 0.00 0.00 41.25 40.68 1hia s ASN 62 CO 0.69 -0.14 -0.07 -0.31 -3.72 0.00 0.00 177.10 173.55 1hia s TYR 63 N 0.52 0.85 -0.09 0.43 2.02 -1.26 -4.52 117.35 115.30 1hia s TYR 63 Ca -0.03 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 1hia s TYR 63 Cb -0.04 -0.64 0.02 0.00 -0.40 0.00 0.00 41.96 40.89 1hia s TYR 63 CO -0.03 -0.12 -0.13 -1.21 -1.57 0.00 0.00 175.55 172.49 1hia s GLU 64 N 0.37 1.90 -0.11 -0.62 2.02 -1.01 -3.59 118.70 117.66 1hia s GLU 64 Ca -0.05 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.49 1hia s GLU 64 Cb -0.10 -1.65 -0.02 0.00 0.10 0.00 0.00 34.13 32.47 1hia s GLU 64 CO 0.00 -0.06 -0.12 0.08 0.02 0.00 0.00 175.26 175.18 1hia s VAL 65 N 0.98 3.13 -0.13 2.63 1.01 -0.41 -1.35 120.40 126.27 1hia s VAL 65 Ca -0.08 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1hia s VAL 65 Cb -0.15 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1hia s VAL 65 CO -0.01 0.54 -0.22 0.26 0.00 0.00 0.00 175.10 175.68 1hia s TRP 66 N 0.09 2.65 0.32 5.22 0.52 -0.24 -0.84 118.94 126.67 1hia s TRP 66 Ca -0.05 -1.17 0.10 0.00 0.02 0.00 0.00 56.10 55.00 1hia s TRP 66 Cb -0.15 -1.79 -0.06 0.00 -1.15 0.00 0.00 33.47 30.33 1hia s TRP 66 CO 0.04 -0.51 -0.11 -0.51 0.02 0.00 0.00 176.95 175.88 1hia s LEU 67 N 0.62 2.73 -0.02 2.99 1.43 -0.36 -2.00 118.68 124.08 1hia s LEU 67 Ca -0.11 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 51.89 1hia s LEU 67 Cb -0.16 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 44.95 1hia s LEU 67 CO 0.03 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1hia n GLY 69 N -0.76 0.36 3.91 -3.19 0.00 -1.26 -1.53 105.19 102.72 1hia n GLY 69 Ca -0.05 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 1hia n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hia s ARG 70 N -0.65 3.59 0.02 1.61 0.52 -1.26 -4.08 118.95 118.70 1hia s ARG 70 Ca 0.00 -0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 1hia s ARG 70 Cb 0.00 -2.59 0.00 0.00 0.52 0.00 0.00 34.95 32.88 1hia s ARG 70 CO 0.00 0.12 0.00 1.58 0.02 0.00 0.00 175.30 177.02 1hia n HIS 71 N -1.36 -0.19 -3.67 -0.53 -0.00 -1.26 -5.01 115.22 103.20 1hia n HIS 71 Ca -0.02 0.03 -0.39 0.00 -0.00 0.00 0.00 57.72 57.35 1hia n HIS 71 Cb 0.55 0.38 -0.12 0.00 -0.00 0.00 0.00 29.99 30.80 1hia n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1hia s ASN 72 N -5.02 5.50 -0.01 0.26 3.84 -1.26 -4.98 114.94 113.28 1hia s ASN 72 Ca 0.00 -0.82 -0.22 0.00 0.21 0.00 0.00 52.86 52.03 1hia s ASN 72 Cb 0.00 -1.97 -0.12 0.00 -0.55 0.00 0.00 41.25 38.61 1hia s ASN 72 CO 0.00 -0.28 0.92 -0.07 -2.79 0.00 0.00 177.10 174.88 1hia h LEU 73 N 8.34 -0.67 -4.52 3.21 3.38 -2.02 -3.32 115.31 119.71 1hia h LEU 73 Ca -0.28 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.59 1hia h LEU 73 Cb 1.12 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 1hia h LEU 73 CO 0.63 -0.28 0.19 0.49 0.09 0.00 0.00 178.44 179.56 1hia n PHE 74 N -5.25 0.10 -1.93 1.13 3.72 -1.26 -4.52 117.46 109.44 1hia n PHE 74 Ca -0.10 -0.91 0.00 0.00 -0.05 0.00 0.00 57.45 56.40 1hia n PHE 74 Cb 0.31 -1.10 0.00 0.00 -0.94 0.00 0.00 39.48 37.75 1hia n PHE 74 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1hia n GLU 75 N 2.83 0.00 -3.66 -1.08 2.13 -1.25 -5.17 120.64 114.45 1hia n GLU 75 Ca 0.25 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 58.00 1hia n GLU 75 Cb 0.48 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.11 1hia n GLU 75 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1hia s ASN 76 N 1.77 -0.78 0.29 4.31 2.47 -1.26 -5.07 114.94 116.67 1hia s ASN 76 Ca 0.00 1.29 0.11 0.00 0.42 0.00 0.00 52.86 54.68 1hia s ASN 76 Cb 0.00 1.32 -0.05 0.00 -1.45 0.00 0.00 41.25 41.06 1hia s ASN 76 CO 0.00 -0.22 -0.17 -1.61 -3.72 0.00 0.00 177.10 171.38 1hia s GLU 77 N 1.82 1.70 0.13 0.43 2.02 -1.26 -5.02 118.70 118.53 1hia s GLU 77 Ca -0.09 -1.81 0.27 0.00 0.02 0.00 0.00 54.97 53.36 1hia s GLU 77 Cb -0.08 -1.72 0.97 0.00 0.10 0.00 0.00 34.13 33.41 1hia s GLU 77 CO -0.17 0.27 1.83 0.27 0.02 0.00 0.00 175.26 177.48 1hia n ASN 78 N -0.66 0.49 0.12 -0.19 6.94 -1.26 -3.11 115.26 117.59 1hia n ASN 78 Ca -0.05 0.55 0.06 0.00 -0.02 0.00 0.00 54.58 55.11 1hia n ASN 78 Cb 0.61 -0.68 0.02 0.00 -2.36 0.00 0.00 39.78 37.37 1hia n ASN 78 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1hia h THR 79 N 0.00 0.42 -3.35 5.53 1.35 -1.94 -3.48 112.91 111.43 1hia h THR 79 Ca 0.00 -1.67 -0.57 0.00 -0.55 0.00 0.00 66.41 63.62 1hia h THR 79 Cb 0.63 2.05 0.15 0.00 -1.73 0.00 0.00 68.15 69.25 1hia h THR 79 CO 0.00 0.24 0.10 0.00 -0.25 0.00 0.00 175.52 175.61 1hia n ALA 80 N -2.23 0.11 -3.58 6.62 0.00 -1.18 -4.41 120.51 115.83 1hia n ALA 80 Ca -0.01 0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.35 1hia n ALA 80 Cb 0.68 -2.08 -0.14 0.00 0.00 0.00 0.00 19.45 17.92 1hia n ALA 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1hia s GLN 81 N -2.42 0.14 0.03 0.00 -0.21 -0.58 -4.95 119.66 111.67 1hia s GLN 81 Ca 0.70 0.44 -0.09 0.00 0.02 0.00 0.00 55.36 56.43 1hia s GLN 81 Cb -0.47 -0.66 -0.05 0.00 1.00 0.00 0.00 33.01 32.83 1hia s GLN 81 CO 0.52 -0.47 0.33 0.12 -2.12 0.00 0.00 175.29 173.67 1hia s PHE 82 N 2.34 3.59 0.10 0.91 2.19 -1.26 -1.22 117.98 124.64 1hia s PHE 82 Ca 0.04 0.70 -0.07 0.00 0.33 0.00 0.00 56.93 57.93 1hia s PHE 82 Cb -0.14 -2.09 -0.01 0.00 -1.31 0.00 0.00 43.02 39.48 1hia s PHE 82 CO -0.09 0.58 0.17 -0.06 1.83 0.00 0.00 175.22 177.65 1hia s PHE 83 N -1.31 0.29 0.28 10.12 0.40 -0.02 -4.99 117.98 122.76 1hia s PHE 83 Ca 0.29 -0.72 0.11 0.00 -0.60 0.00 0.00 56.93 56.00 1hia s PHE 83 Cb -0.14 -0.13 -0.05 0.00 0.51 0.00 0.00 43.02 43.22 1hia s PHE 83 CO 0.16 -0.56 -0.09 0.20 0.70 0.00 0.00 175.22 175.64 1hia s GLY 84 N -2.90 1.83 -0.22 4.36 0.00 -1.26 -1.29 107.32 107.84 1hia s GLY 84 Ca 0.09 -1.81 -0.08 0.00 0.00 0.00 0.00 44.72 42.92 1hia s GLY 84 CO -0.08 -1.86 0.10 0.14 0.00 0.00 0.00 173.10 171.40 1hia s VAL 85 N -2.44 4.86 -0.15 1.40 1.01 -1.24 -4.92 120.40 118.93 1hia s VAL 85 Ca 0.31 0.00 0.17 0.00 0.00 0.00 0.00 61.98 62.46 1hia s VAL 85 Cb -0.05 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1hia s VAL 85 CO 0.18 0.38 1.06 0.71 0.00 0.00 0.00 175.10 177.43 1hia h THR 86 N 5.11 0.56 -2.16 3.92 1.35 -1.98 -3.47 112.91 116.25 1hia h THR 86 Ca -0.37 -1.95 -0.05 0.00 -0.55 0.00 0.00 66.41 63.48 1hia h THR 86 Cb 1.17 2.11 -0.22 0.00 -1.73 0.00 0.00 68.15 69.48 1hia h THR 86 CO 0.65 0.32 0.04 0.00 -0.25 0.00 0.00 175.52 176.28 1hia s ALA 87 N -2.98 -1.63 -0.05 6.62 0.00 -1.26 -5.15 121.76 117.31 1hia s ALA 87 Ca -0.00 1.89 0.06 0.00 0.00 0.00 0.00 51.96 53.91 1hia s ALA 87 Cb 0.08 -1.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 1hia s ALA 87 CO 0.79 -0.31 -0.24 0.16 0.00 0.00 0.00 175.76 176.15 1hia s ASP 88 N 0.48 2.91 -0.44 0.00 -4.77 -1.26 -5.10 116.67 108.48 1hia s ASP 88 Ca -0.01 -0.48 0.03 0.00 -3.30 0.00 0.00 52.55 48.79 1hia s ASP 88 Cb -0.05 -0.71 0.12 0.00 -1.09 0.00 0.00 42.92 41.20 1hia s ASP 88 CO -0.01 0.24 0.20 -0.36 0.70 0.00 0.00 175.17 175.94 1hia s PHE 89 N -0.22 2.83 0.57 2.11 0.40 -1.26 -5.12 117.98 117.29 1hia s PHE 89 Ca -0.01 -2.81 -0.15 0.00 -0.60 0.00 0.00 56.93 53.36 1hia s PHE 89 Cb -0.13 -2.48 -0.05 0.00 0.51 0.00 0.00 43.02 40.87 1hia s PHE 89 CO 0.03 -0.80 1.02 -1.25 0.70 0.00 0.00 175.22 174.91 1hia s PRO 90 N 0.29 3.63 0.10 0.24 0.04 -1.26 -4.97 135.00 133.06 1hia s PRO 90 Ca 0.15 1.00 -0.31 0.00 0.04 0.00 0.00 61.00 61.89 1hia s PRO 90 Cb -0.23 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.14 1hia s PRO 90 CO -0.04 -0.54 1.52 -1.58 0.04 0.00 0.00 177.00 176.40 1hia s HIS 91 N -2.68 2.88 0.56 0.56 2.46 -1.26 -4.87 115.29 112.93 1hia s HIS 91 Ca 0.60 0.65 0.40 0.00 0.47 0.00 0.00 55.06 57.17 1hia s HIS 91 Cb -0.12 -3.83 1.55 0.00 -0.13 0.00 0.00 32.58 30.04 1hia s HIS 91 CO 0.38 -3.14 1.70 -1.00 -2.47 0.00 0.00 174.74 170.21 1hia h PRO 92 N 7.43 0.00 -0.01 2.88 0.13 -2.05 0.22 132.00 140.59 1hia h PRO 92 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1hia h PRO 92 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1hia h PRO 92 CO 0.90 0.00 -0.17 0.41 -0.23 0.00 0.00 178.00 178.91 1hia n GLY 93 N -1.79 -0.29 3.71 1.56 0.00 -1.26 -4.92 105.19 102.19 1hia n GLY 93 Ca 0.30 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1hia n GLY 93 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1hia s PHE 94 N -2.31 3.57 -0.26 1.61 5.36 0.06 -5.02 117.98 121.00 1hia s PHE 94 Ca 0.29 1.54 -0.07 0.00 -0.96 0.00 0.00 56.93 57.73 1hia s PHE 94 Cb 0.20 -3.24 0.12 0.00 -0.34 0.00 0.00 43.02 39.76 1hia s PHE 94 CO 0.45 -0.52 0.53 1.21 -1.46 0.00 0.00 175.22 175.43 1hia s ASN 95 N 1.03 -0.71 -0.23 6.13 2.47 -1.26 -4.99 114.94 117.38 1hia s ASN 95 Ca 0.55 1.15 0.03 0.00 0.42 0.00 0.00 52.86 55.01 1hia s ASN 95 Cb -0.24 1.82 0.39 0.00 -1.45 0.00 0.00 41.25 41.76 1hia s ASN 95 CO 0.28 -0.24 1.45 0.00 -3.72 0.00 0.00 177.10 174.88 1hia n LEU 95 N 5.42 4.81 0.00 3.21 -0.00 -1.26 -5.25 117.00 123.92 1hia n LEU 95 Ca -0.09 -2.51 0.00 0.00 -0.00 0.00 0.00 56.01 53.41 1hia n LEU 95 Cb 0.49 -0.67 0.00 0.00 -0.00 0.00 0.00 43.42 43.24 1hia n LEU 95 CO -0.01 0.74 0.19 -1.20 -0.00 0.00 0.00 177.39 177.11