#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqi s SER 2 N 0.00 7.23 -0.41 7.83 0.15 -1.26 -5.00 113.70 122.25 1hqi s SER 2 Ca 0.00 2.15 0.01 0.00 0.70 0.00 0.00 55.95 58.81 1hqi s SER 2 Cb 0.00 -2.61 0.14 0.00 -1.71 0.00 0.00 66.02 61.84 1hqi s SER 2 CO 0.00 -0.23 0.22 -0.44 1.20 0.00 0.00 173.24 173.99 1hqi s SER 3 N -0.22 3.44 0.27 5.45 0.01 -1.26 -5.10 113.70 116.29 1hqi s SER 3 Ca 0.49 -2.44 0.10 0.00 1.31 0.00 0.00 55.95 55.41 1hqi s SER 3 Cb -0.30 -0.82 -0.05 0.00 0.21 0.00 0.00 66.02 65.05 1hqi s SER 3 CO 0.36 -0.29 -0.15 -1.48 0.41 0.00 0.00 173.24 172.10 1hqi s LEU 4 N 0.64 2.59 0.00 2.44 0.05 -1.26 0.42 118.68 123.56 1hqi s LEU 4 Ca 0.17 -1.08 0.00 0.00 0.05 0.00 0.00 54.13 53.28 1hqi s LEU 4 Cb -0.24 -0.92 -0.00 0.00 -2.05 0.00 0.00 46.19 42.98 1hqi s LEU 4 CO -0.00 -0.11 0.01 1.33 -0.55 0.00 0.00 176.35 177.03 1hqi n VAL 5 N -0.59 0.00 -3.64 1.48 0.24 -0.89 -4.81 118.33 110.13 1hqi n VAL 5 Ca -0.06 -0.38 -0.10 0.00 -2.04 0.00 0.00 64.34 61.76 1hqi n VAL 5 Cb 0.61 0.11 -0.07 0.00 -1.47 0.00 0.00 33.84 33.02 1hqi n VAL 5 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1hqi s TYR 6 N -1.54 -0.71 -0.12 6.34 5.04 -0.44 -1.70 117.35 124.22 1hqi s TYR 6 Ca 0.02 1.64 -0.11 0.00 -2.44 0.00 0.00 57.07 56.18 1hqi s TYR 6 Cb 0.00 0.36 0.03 0.00 0.35 0.00 0.00 41.96 42.70 1hqi s TYR 6 CO 0.01 -0.34 0.32 0.96 -1.34 0.00 0.00 175.55 175.16 1hqi s ILE 7 N 0.59 -0.00 -0.06 3.14 -4.36 -0.48 0.33 121.20 120.36 1hqi s ILE 7 Ca -0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 60.65 60.33 1hqi s ILE 7 Cb -0.05 -0.45 0.02 0.00 1.25 0.00 0.00 42.46 43.24 1hqi s ILE 7 CO -0.06 0.00 0.16 0.00 0.24 0.00 0.00 174.94 175.29 1hqi s ALA 8 N 0.20 -0.38 0.42 2.27 0.00 0.11 -2.46 121.76 121.94 1hqi s ALA 8 Ca -0.00 0.52 0.04 0.00 0.00 0.00 0.00 51.96 52.52 1hqi s ALA 8 Cb -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1hqi s ALA 8 CO 0.00 -0.10 0.12 -0.59 0.00 0.00 0.00 175.76 175.19 1hqi s PHE 9 N 0.36 1.80 -0.40 0.00 -0.12 -0.97 0.29 117.98 118.93 1hqi s PHE 9 Ca -0.02 -1.25 0.02 0.00 -0.05 0.00 0.00 56.93 55.63 1hqi s PHE 9 Cb -0.04 -1.21 0.12 0.00 -0.63 0.00 0.00 43.02 41.26 1hqi s PHE 9 CO -0.01 -0.24 0.18 -1.14 -0.05 0.00 0.00 175.22 173.95 1hqi s GLN 10 N -3.72 1.29 -0.03 1.99 -0.44 -0.98 -1.22 119.66 116.55 1hqi s GLN 10 Ca 0.21 -1.86 0.01 0.00 -2.50 0.00 0.00 55.36 51.22 1hqi s GLN 10 Cb 0.02 -2.56 -0.03 0.00 -1.64 0.00 0.00 33.01 28.80 1hqi s GLN 10 CO 0.13 -1.07 -0.01 0.16 0.50 0.00 0.00 175.29 175.00 1hqi s ASP 11 N 0.64 5.06 0.00 6.67 -4.77 -1.26 -2.15 116.67 120.86 1hqi s ASP 11 Ca 0.14 0.01 0.28 0.00 -3.30 0.00 0.00 52.55 49.69 1hqi s ASP 11 Cb -0.22 -1.33 1.45 0.00 -1.09 0.00 0.00 42.92 41.73 1hqi s ASP 11 CO -0.07 0.31 1.98 -3.20 0.70 0.00 0.00 175.17 174.89 1hqi n ASN 12 N 1.65 0.00 -4.56 2.11 2.85 -1.26 -4.63 115.26 111.43 1hqi n ASN 12 Ca -0.16 -0.20 -0.42 0.00 -0.11 0.00 0.00 54.58 53.69 1hqi n ASN 12 Cb 0.53 -0.25 -0.03 0.00 1.24 0.00 0.00 39.78 41.27 1hqi n ASN 12 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1hqi s ASP 13 N -2.51 6.32 0.00 1.20 -1.08 -1.26 -4.82 116.67 114.52 1hqi s ASP 13 Ca 0.28 -0.19 0.08 0.00 -0.52 0.00 0.00 52.55 52.20 1hqi s ASP 13 Cb 0.19 -2.54 0.34 0.00 -1.46 0.00 0.00 42.92 39.45 1hqi s ASP 13 CO 0.42 -1.60 1.22 -3.20 0.52 0.00 0.00 175.17 172.53 1hqi n ASN 14 N 8.71 0.00 -0.34 -0.34 5.15 -1.26 -2.37 115.26 124.82 1hqi n ASN 14 Ca 0.05 0.44 0.06 0.00 -0.60 0.00 0.00 54.58 54.53 1hqi n ASN 14 Cb 0.49 -0.46 0.24 0.00 -0.53 0.00 0.00 39.78 39.52 1hqi n ASN 14 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1hqi h ALA 15 N 2.29 1.52 -0.60 5.20 0.00 -1.96 -0.39 119.26 125.33 1hqi h ALA 15 Ca 0.00 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1hqi h ALA 15 Cb 0.12 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1hqi h ALA 15 CO 0.00 0.29 0.30 0.00 0.00 0.00 0.00 179.25 179.84 1hqi h ARG 16 N 1.02 0.55 -0.58 0.00 2.47 -1.88 -1.15 114.38 114.81 1hqi h ARG 16 Ca 0.44 -0.03 0.08 0.00 -1.26 0.00 0.00 59.98 59.21 1hqi h ARG 16 Cb 0.35 -0.12 -0.06 0.00 -1.65 0.00 0.00 29.97 28.48 1hqi h ARG 16 CO -0.20 0.37 0.25 -0.92 0.56 0.00 0.00 179.97 180.02 1hqi h TYR 17 N 0.57 0.44 0.39 3.04 5.03 -1.27 0.59 116.97 125.75 1hqi h TYR 17 Ca 0.27 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.60 1hqi h TYR 17 Cb 0.20 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.34 1hqi h TYR 17 CO -0.10 0.16 -0.46 0.28 -1.32 0.00 0.00 178.16 176.71 1hqi h VAL 18 N 0.46 0.00 -0.23 1.81 2.07 -0.90 0.29 116.25 119.76 1hqi h VAL 18 Ca 0.28 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.87 1hqi h VAL 18 Cb 0.29 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1hqi h VAL 18 CO -0.25 0.00 0.40 0.58 0.02 0.00 0.00 177.57 178.32 1hqi h VAL 19 N -0.87 0.21 0.34 2.57 2.07 -0.93 -0.20 116.25 119.44 1hqi h VAL 19 Ca -0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1hqi h VAL 19 Cb 0.77 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1hqi h VAL 19 CO -0.10 0.00 -0.16 -0.08 0.02 0.00 0.00 177.57 177.25 1hqi h GLU 20 N 0.00 -0.44 -1.04 1.57 4.81 0.19 -2.08 114.58 117.59 1hqi h GLU 20 Ca 0.11 0.03 0.27 0.00 -0.13 0.00 0.00 59.36 59.63 1hqi h GLU 20 Cb 0.90 0.10 -0.10 0.00 0.63 0.00 0.00 28.75 30.28 1hqi h GLU 20 CO -0.00 -0.12 0.65 0.00 -0.73 0.00 0.00 179.01 178.81 1hqi h ALA 21 N -0.28 2.12 -0.46 2.92 0.00 0.02 0.63 119.26 124.21 1hqi h ALA 21 Ca -0.05 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1hqi h ALA 21 Cb 0.51 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1hqi h ALA 21 CO 0.08 -0.56 0.26 0.82 0.00 0.00 0.00 179.25 179.85 1hqi h ILE 22 N 0.44 1.15 -0.10 0.00 2.04 -1.21 -0.41 117.51 119.43 1hqi h ILE 22 Ca 0.62 -0.37 0.04 0.00 1.00 0.00 0.00 64.86 66.14 1hqi h ILE 22 Cb 1.46 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 38.05 1hqi h ILE 22 CO -0.35 0.16 -0.41 0.40 0.00 0.00 0.00 178.15 177.94 1hqi h ILE 23 N 0.60 0.15 -0.04 -0.67 1.08 0.95 0.52 117.51 120.10 1hqi h ILE 23 Ca 0.16 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.64 1hqi h ILE 23 Cb 0.03 0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 33.93 1hqi h ILE 23 CO -0.03 0.00 0.03 -0.61 -0.69 0.00 0.00 178.15 176.86 1hqi h GLN 24 N -0.50 0.00 -1.00 2.37 -0.00 -1.24 -0.44 115.11 114.30 1hqi h GLN 24 Ca 0.07 0.00 0.21 0.00 -0.00 0.00 0.00 58.65 58.93 1hqi h GLN 24 Cb 0.63 0.00 -0.11 0.00 0.00 0.00 0.00 27.48 28.00 1hqi h GLN 24 CO -0.38 0.00 0.61 0.22 0.00 0.00 0.00 178.83 179.29 1hqi h ASP 25 N 0.00 0.71 -3.81 -0.69 3.58 0.18 -3.39 116.42 113.01 1hqi h ASP 25 Ca 0.02 0.10 -0.48 0.00 0.42 0.00 0.00 57.03 57.09 1hqi h ASP 25 Cb 0.09 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 1hqi h ASP 25 CO -0.00 0.21 0.35 0.20 -2.88 0.00 0.00 179.24 177.13 1hqi s ASN 26 N -5.36 7.50 -0.17 2.28 0.01 -0.17 -4.92 114.94 114.10 1hqi s ASN 26 Ca -0.11 1.92 -0.03 0.00 -0.71 0.00 0.00 52.86 53.94 1hqi s ASN 26 Cb 0.25 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.30 1hqi s ASN 26 CO 0.80 0.05 2.62 -0.81 -1.51 0.00 0.00 177.10 178.25 1hqi n PRO 27 N 1.09 1.76 0.00 -0.60 -0.04 -1.26 -3.86 135.00 132.09 1hqi n PRO 27 Ca -0.00 -1.14 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1hqi n PRO 27 Cb 0.48 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1hqi n PRO 27 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1hqi n HIS 28 N 1.37 -1.10 -2.31 0.54 -0.00 -1.26 -5.10 115.22 107.36 1hqi n HIS 28 Ca 0.29 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 58.07 1hqi n HIS 28 Cb 0.65 0.41 -0.03 0.00 -0.12 0.00 0.00 29.99 30.90 1hqi n HIS 28 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1hqi s ALA 29 N -1.83 3.45 0.10 1.57 0.00 -1.25 -5.03 121.76 118.78 1hqi s ALA 29 Ca 0.00 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.03 1hqi s ALA 29 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1hqi s ALA 29 CO 0.00 -0.38 0.19 0.08 0.00 0.00 0.00 175.76 175.65 1hqi s VAL 30 N -0.99 5.06 0.30 0.00 1.01 -1.26 -4.38 120.40 120.15 1hqi s VAL 30 Ca 0.48 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1hqi s VAL 30 Cb -0.35 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 1hqi s VAL 30 CO 0.45 0.04 0.05 0.68 0.00 0.00 0.00 175.10 176.32 1hqi s VAL 31 N -1.58 1.12 -0.21 2.92 -7.23 -1.26 -4.48 120.40 109.69 1hqi s VAL 31 Ca 0.33 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.45 1hqi s VAL 31 Cb -0.12 -2.70 0.10 0.00 0.56 0.00 0.00 36.38 34.22 1hqi s VAL 31 CO 0.26 -0.06 0.29 -1.58 -0.31 0.00 0.00 175.10 173.70 1hqi s GLN 32 N -3.90 0.25 -0.07 4.82 0.74 -1.26 -5.02 119.66 115.22 1hqi s GLN 32 Ca 0.35 0.41 -0.28 0.00 0.05 0.00 0.00 55.36 55.89 1hqi s GLN 32 Cb 0.08 -0.77 -0.02 0.00 1.10 0.00 0.00 33.01 33.40 1hqi s GLN 32 CO 0.14 -0.60 0.90 -1.01 -0.55 0.00 0.00 175.29 174.18 1hqi s HIS 33 N 2.42 3.57 0.09 1.67 3.76 -1.26 -4.66 115.29 120.88 1hqi s HIS 33 Ca 0.08 1.50 0.08 0.00 -0.15 0.00 0.00 55.06 56.58 1hqi s HIS 33 Cb -0.15 -3.05 -0.03 0.00 1.11 0.00 0.00 32.58 30.45 1hqi s HIS 33 CO -0.13 -0.08 -0.22 -1.01 -0.85 0.00 0.00 174.74 172.45 1hqi s HIS 34 N 1.41 1.90 -0.27 1.40 3.76 -1.26 -5.02 115.29 117.21 1hqi s HIS 34 Ca 0.46 -0.40 -0.02 0.00 -0.15 0.00 0.00 55.06 54.95 1hqi s HIS 34 Cb -0.19 -1.07 0.08 0.00 1.11 0.00 0.00 32.58 32.51 1hqi s HIS 34 CO 0.21 0.19 2.41 -0.35 -0.85 0.00 0.00 174.74 176.34 1hqi n PRO 35 N 1.32 1.86 0.00 8.40 -0.04 -1.26 -4.12 135.00 141.16 1hqi n PRO 35 Ca -0.18 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 1hqi n PRO 35 Cb 0.53 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1hqi n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hqi n ALA 36 N 0.92 0.00 -2.17 0.55 0.00 -1.26 -5.15 120.51 113.40 1hqi n ALA 36 Ca 0.32 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.56 1hqi n ALA 36 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 1hqi n ALA 36 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1hqi s MET 37 N 0.00 2.56 -0.24 0.00 -1.94 -1.26 -4.87 119.30 113.55 1hqi s MET 37 Ca 0.00 -1.52 -0.10 0.00 -1.71 0.00 0.00 55.69 52.36 1hqi s MET 37 Cb 0.00 -2.47 0.09 0.00 2.01 0.00 0.00 34.83 34.46 1hqi s MET 37 CO 0.00 -0.32 0.55 0.96 -0.01 0.00 0.00 175.02 176.20 1hqi s ILE 38 N -2.49 -0.46 -2.10 2.53 -0.00 -0.36 -4.19 121.20 114.14 1hqi s ILE 38 Ca 0.50 0.07 0.00 0.00 -0.00 0.00 0.00 60.65 61.21 1hqi s ILE 38 Cb -0.05 -0.83 0.00 0.00 -0.00 0.00 0.00 42.46 41.58 1hqi s ILE 38 CO 0.30 0.03 0.00 -1.14 -0.00 0.00 0.00 174.94 174.12 1hqi n ARG 39 N 4.91 0.00 -1.21 0.37 0.00 -1.26 -2.30 116.66 117.16 1hqi n ARG 39 Ca -0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.69 1hqi n ARG 39 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 1hqi n ARG 39 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1hqi n ILE 40 N 3.79 0.00 -4.14 5.15 5.41 -1.03 -4.45 119.36 124.09 1hqi n ILE 40 Ca 0.00 -0.06 -0.08 0.00 1.00 0.00 0.00 62.75 63.61 1hqi n ILE 40 Cb 0.00 0.06 -0.03 0.00 -0.71 0.00 0.00 39.64 38.96 1hqi n ILE 40 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1hqi n GLU 41 N -0.03 0.51 -2.31 0.38 0.28 -1.26 -1.38 120.64 116.82 1hqi n GLU 41 Ca -0.01 -1.18 -0.03 0.00 -0.16 0.00 0.00 57.16 55.78 1hqi n GLU 41 Cb 0.04 0.79 -0.01 0.00 1.43 0.00 0.00 31.44 33.68 1hqi n GLU 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1hqi n ALA 42 N -2.27 0.10 -2.58 -1.84 0.00 -0.69 -4.83 120.51 108.41 1hqi n ALA 42 Ca -0.05 -0.27 0.02 0.00 0.00 0.00 0.00 53.44 53.14 1hqi n ALA 42 Cb 0.21 0.21 0.03 0.00 0.00 0.00 0.00 19.45 19.90 1hqi n ALA 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1hqi n GLU 43 N -0.09 0.51 0.00 0.00 1.02 -1.26 -2.09 120.64 118.73 1hqi n GLU 43 Ca 0.01 -2.36 0.00 0.00 -0.02 0.00 0.00 57.16 54.79 1hqi n GLU 43 Cb 0.08 -0.42 0.00 0.00 -0.02 0.00 0.00 31.44 31.08 1hqi n GLU 43 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1hqi n LYS 44 N 0.13 0.00 0.00 3.49 4.81 0.17 -4.48 118.16 122.28 1hqi n LYS 44 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1hqi n LYS 44 Cb 1.02 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.07 1hqi n LYS 44 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1hqi n ARG 45 N 0.00 0.00 -3.63 1.64 0.63 -1.26 -3.96 116.66 110.07 1hqi n ARG 45 Ca 0.00 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 1hqi n ARG 45 Cb 0.00 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.84 1hqi n ARG 45 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1hqi s LEU 46 N 0.00 -0.03 -0.00 6.15 0.20 0.70 0.24 118.68 125.94 1hqi s LEU 46 Ca 0.00 0.56 0.01 0.00 0.69 0.00 0.00 54.13 55.39 1hqi s LEU 46 Cb 0.00 1.98 -0.00 0.00 -0.43 0.00 0.00 46.19 47.74 1hqi s LEU 46 CO 0.00 -0.48 -0.03 -0.70 -0.29 0.00 0.00 176.35 174.85 1hqi s GLU 47 N -0.99 0.23 0.05 1.98 -6.30 -1.26 -2.48 118.70 109.93 1hqi s GLU 47 Ca -0.10 -0.09 -0.26 0.00 -2.50 0.00 0.00 54.97 52.01 1hqi s GLU 47 Cb -0.03 -0.23 0.07 0.00 0.00 0.00 0.00 34.13 33.94 1hqi s GLU 47 CO 0.06 0.05 0.62 0.42 0.02 0.00 0.00 175.26 176.44 1hqi s ILE 48 N -0.02 0.00 0.00 -3.70 1.01 0.35 -4.97 121.20 113.88 1hqi s ILE 48 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.62 1hqi s ILE 48 Cb -0.02 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.46 1hqi s ILE 48 CO -0.00 -0.02 0.00 0.54 0.00 0.00 0.00 174.94 175.46 1hqi n ARG 49 N 0.31 0.59 0.17 2.79 1.74 -1.26 -2.28 116.66 118.71 1hqi n ARG 49 Ca -0.18 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 56.93 1hqi n ARG 49 Cb 0.61 0.00 0.25 0.00 -1.02 0.00 0.00 32.46 32.30 1hqi n ARG 49 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1hqi h ARG 50 N 0.00 0.00 -1.08 5.56 1.12 -1.90 -3.02 114.38 115.06 1hqi h ARG 50 Ca 0.00 0.00 0.31 0.00 -1.11 0.00 0.00 59.98 59.18 1hqi h ARG 50 Cb 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 29.91 1hqi h ARG 50 CO 0.00 0.47 0.77 1.05 -3.11 0.00 0.00 179.97 179.15 1hqi h GLU 51 N 0.00 0.03 -0.30 0.20 -0.00 -1.99 0.56 114.58 113.08 1hqi h GLU 51 Ca -0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.31 1hqi h GLU 51 Cb 1.03 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.76 1hqi h GLU 51 CO 0.06 0.02 0.02 1.15 -0.00 0.00 0.00 179.01 180.26 1hqi h THR 52 N 0.03 1.25 -1.16 -1.06 2.02 -1.89 -1.53 112.91 110.56 1hqi h THR 52 Ca 0.52 -0.88 0.34 0.00 0.77 0.00 0.00 66.41 67.15 1hqi h THR 52 Cb 2.03 1.23 -0.05 0.00 -1.74 0.00 0.00 68.15 69.62 1hqi h THR 52 CO -0.02 0.29 0.86 0.58 0.37 0.00 0.00 175.52 177.59 1hqi h VAL 53 N 0.33 0.38 -0.13 3.16 2.07 -0.04 0.87 116.25 122.89 1hqi h VAL 53 Ca 0.09 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.51 1hqi h VAL 53 Cb 0.39 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1hqi h VAL 53 CO 0.01 0.00 -0.30 -0.08 0.02 0.00 0.00 177.57 177.22 1hqi h GLU 54 N 0.00 0.43 -0.06 1.57 4.81 -1.16 -2.33 114.58 117.84 1hqi h GLU 54 Ca 0.55 -0.29 0.03 0.00 -0.13 0.00 0.00 59.36 59.52 1hqi h GLU 54 Cb 2.27 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 31.65 1hqi h GLU 54 CO -0.01 0.90 -0.13 1.49 -0.73 0.00 0.00 179.01 180.54 1hqi h GLU 55 N 0.02 -0.18 -0.92 1.92 4.81 0.97 -1.32 114.58 119.87 1hqi h GLU 55 Ca -0.00 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1hqi h GLU 55 Cb 0.90 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.26 1hqi h GLU 55 CO 0.07 -0.12 0.59 -0.97 -0.73 0.00 0.00 179.01 177.85 1hqi h ASN 56 N -0.19 0.88 0.06 1.04 -0.00 -1.32 -1.23 115.58 114.83 1hqi h ASN 56 Ca 0.07 0.02 0.01 0.00 -0.00 0.00 0.00 56.30 56.40 1hqi h ASN 56 Cb 0.28 -0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 38.41 1hqi h ASN 56 CO -0.17 0.54 -0.14 0.25 -0.00 0.00 0.00 177.43 177.91 1hqi h LEU 57 N 0.99 -0.40 -0.95 0.34 5.85 -0.68 0.46 115.31 120.92 1hqi h LEU 57 Ca 0.41 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.18 1hqi h LEU 57 Cb 0.29 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1hqi h LEU 57 CO -0.17 -0.21 0.00 0.61 -0.34 0.00 0.00 178.44 178.33 1hqi n GLY 58 N -1.27 -1.11 0.80 3.75 0.00 -0.80 -1.54 105.19 105.02 1hqi n GLY 58 Ca -0.06 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1hqi n GLY 58 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1hqi n ARG 59 N -2.22 2.58 0.00 1.61 0.63 0.35 -4.57 116.66 115.04 1hqi n ARG 59 Ca 0.01 -2.84 0.08 0.00 -0.92 0.00 0.00 57.85 54.18 1hqi n ARG 59 Cb 0.15 -1.79 0.37 0.00 0.45 0.00 0.00 32.46 31.64 1hqi n ARG 59 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1hqi n ALA 60 N -0.71 1.81 -0.23 5.13 0.00 0.13 -2.43 120.51 124.22 1hqi n ALA 60 Ca 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.58 1hqi n ALA 60 Cb 0.87 -1.26 0.21 0.00 0.00 0.00 0.00 19.45 19.28 1hqi n ALA 60 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1hqi n TRP 61 N -1.37 1.47 0.08 0.00 -0.00 -1.26 -3.88 117.44 112.48 1hqi n TRP 61 Ca 0.06 -0.70 0.06 0.00 -0.00 0.00 0.00 57.50 56.91 1hqi n TRP 61 Cb 0.15 -0.45 0.11 0.00 -0.00 0.00 0.00 31.31 31.12 1hqi n TRP 61 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1hqi n ASP 62 N 0.13 2.52 0.00 5.87 2.03 -1.02 -4.50 116.55 121.57 1hqi n ASP 62 Ca 0.23 -1.78 -0.14 0.00 0.52 0.00 0.00 54.79 53.62 1hqi n ASP 62 Cb 0.95 -0.14 -0.14 0.00 -0.72 0.00 0.00 41.12 41.08 1hqi n ASP 62 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1hqi h VAL 63 N 2.08 0.85 -0.91 5.18 2.07 -1.82 -3.33 116.25 120.38 1hqi h VAL 63 Ca 0.00 -2.63 0.16 0.00 0.82 0.00 0.00 66.70 65.04 1hqi h VAL 63 Cb 0.62 2.51 -0.07 0.00 -1.52 0.00 0.00 31.29 32.83 1hqi h VAL 63 CO 0.00 0.68 0.58 1.56 0.02 0.00 0.00 177.57 180.41 1hqi h GLN 64 N 0.03 0.64 -0.05 1.57 1.08 -1.85 0.30 115.11 116.83 1hqi h GLN 64 Ca -0.31 -0.04 -0.12 0.00 -1.45 0.00 0.00 58.65 56.73 1hqi h GLN 64 Cb 2.01 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 29.28 1hqi h GLN 64 CO 0.10 0.42 -0.53 0.93 -0.95 0.00 0.00 178.83 178.80 1hqi h GLU 65 N 0.66 0.14 0.00 1.46 5.08 -1.86 -2.32 114.58 117.74 1hqi h GLU 65 Ca 0.46 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1hqi h GLU 65 Cb 0.80 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1hqi h GLU 65 CO -0.22 0.64 0.00 -1.33 -1.00 0.00 0.00 179.01 177.10 1hqi n MET 66 N -3.92 0.11 0.01 2.33 2.81 0.10 -2.88 117.12 115.69 1hqi n MET 66 Ca -0.02 0.41 -0.13 0.00 -1.81 0.00 0.00 57.70 56.15 1hqi n MET 66 Cb 0.56 -1.74 -0.09 0.00 -0.71 0.00 0.00 33.22 31.24 1hqi n MET 66 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1hqi h LEU 67 N 0.00 -0.04 -0.72 4.03 6.46 -1.06 -3.20 115.31 120.78 1hqi h LEU 67 Ca 0.00 -0.40 0.08 0.00 -0.12 0.00 0.00 57.88 57.43 1hqi h LEU 67 Cb 0.25 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.13 1hqi h LEU 67 CO 0.00 0.39 0.40 0.58 -0.62 0.00 0.00 178.44 179.19 1hqi h VAL 68 N -0.48 0.93 -2.71 1.05 2.07 -1.67 -3.42 116.25 112.02 1hqi h VAL 68 Ca -0.00 -0.24 -0.46 0.00 0.82 0.00 0.00 66.70 66.81 1hqi h VAL 68 Cb 0.44 0.17 0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1hqi h VAL 68 CO 0.01 0.13 -0.15 1.51 0.02 0.00 0.00 177.57 179.09 1hqi s ASP 69 N -5.58 6.04 0.88 0.57 -4.77 -1.21 -4.94 116.67 107.66 1hqi s ASP 69 Ca -0.13 0.32 -0.13 0.00 -3.30 0.00 0.00 52.55 49.32 1hqi s ASP 69 Cb 0.17 -1.72 0.15 0.00 -1.09 0.00 0.00 42.92 40.43 1hqi s ASP 69 CO 0.77 -0.51 1.23 0.54 0.70 0.00 0.00 175.17 177.90 1hqi s VAL 70 N -2.43 2.03 -0.10 2.11 0.11 -0.92 -4.65 120.40 116.55 1hqi s VAL 70 Ca 0.45 -0.07 -0.08 0.00 -2.93 0.00 0.00 61.98 59.34 1hqi s VAL 70 Cb -0.10 -2.96 0.03 0.00 -1.53 0.00 0.00 36.38 31.82 1hqi s VAL 70 CO 0.37 0.00 0.27 0.27 -3.33 0.00 0.00 175.10 172.67 1hqi s ILE 71 N -3.70 -0.01 0.04 7.04 -4.36 -1.25 -2.31 121.20 116.65 1hqi s ILE 71 Ca 0.69 0.03 -0.06 0.00 -0.26 0.00 0.00 60.65 61.06 1hqi s ILE 71 Cb -0.06 -0.39 -0.01 0.00 1.25 0.00 0.00 42.46 43.25 1hqi s ILE 71 CO 0.51 0.01 0.11 -0.89 0.24 0.00 0.00 174.94 174.92 1hqi s THR 72 N 0.43 0.13 0.28 8.37 2.01 0.83 -4.86 115.64 122.83 1hqi s THR 72 Ca -0.02 -1.06 -0.02 0.00 0.31 0.00 0.00 61.69 60.89 1hqi s THR 72 Cb -0.04 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.56 1hqi s THR 72 CO -0.02 -0.58 0.35 0.27 -0.69 0.00 0.00 174.62 173.95 1hqi s ILE 73 N -2.61 0.00 -0.32 1.82 -5.25 -1.25 -0.71 121.20 112.89 1hqi s ILE 73 Ca -0.05 -1.74 0.04 0.00 -0.99 0.00 0.00 60.65 57.91 1hqi s ILE 73 Cb -0.01 -2.49 0.28 0.00 2.95 0.00 0.00 42.46 43.18 1hqi s ILE 73 CO -0.04 0.00 1.35 0.61 -1.79 0.00 0.00 174.94 175.07 1hqi n GLY 74 N -0.46 -1.45 0.00 6.27 0.00 1.01 -4.65 105.19 105.92 1hqi n GLY 74 Ca 0.02 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1hqi n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqi n GLY 75 N 0.30 0.39 3.65 -0.02 0.00 -1.26 -1.33 105.19 106.92 1hqi n GLY 75 Ca -0.11 -0.79 -0.03 0.00 0.00 0.00 0.00 46.02 45.09 1hqi n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hqi s ASN 76 N 0.00 -0.16 0.00 1.61 4.22 -1.26 -3.92 114.94 115.43 1hqi s ASN 76 Ca 0.00 0.30 0.00 0.00 -2.14 0.00 0.00 52.86 51.02 1hqi s ASN 76 Cb 0.00 0.45 0.00 0.00 1.28 0.00 0.00 41.25 42.98 1hqi s ASN 76 CO 0.00 -0.05 0.00 0.55 -2.04 0.00 0.00 177.10 175.56 1hqi n VAL 77 N 2.03 0.00 0.20 3.54 3.14 -1.25 -4.80 118.33 121.19 1hqi n VAL 77 Ca -0.12 0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.32 1hqi n VAL 77 Cb 0.57 0.00 0.33 0.00 -1.06 0.00 0.00 33.84 33.67 1hqi n VAL 77 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1hqi h ASP 78 N 0.00 0.00 -3.46 6.55 1.82 -1.45 -3.29 116.42 116.59 1hqi h ASP 78 Ca 0.00 0.00 -0.70 0.00 -0.39 0.00 0.00 57.03 55.94 1hqi h ASP 78 Cb 0.00 0.00 -0.33 0.00 0.68 0.00 0.00 39.33 39.68 1hqi h ASP 78 CO 0.00 0.00 -0.52 -0.70 -1.61 0.00 0.00 179.24 176.41 1hqi s GLU 79 N -3.40 2.15 0.00 0.28 2.12 -1.25 -0.86 118.70 117.75 1hqi s GLU 79 Ca -0.01 -1.76 0.00 0.00 0.36 0.00 0.00 54.97 53.56 1hqi s GLU 79 Cb 0.03 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.79 1hqi s GLU 79 CO 0.11 -1.07 0.00 -0.25 -0.54 0.00 0.00 175.26 173.51 1hqi n ASP 80 N 4.67 0.00 0.00 -1.70 8.00 -1.24 -4.96 116.55 121.32 1hqi n ASP 80 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1hqi n ASP 80 Cb 0.41 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 1hqi n ASP 80 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1hqi n ASP 81 N -1.16 0.00 -0.01 -2.24 9.92 -1.26 -5.00 116.55 116.81 1hqi n ASP 81 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 1hqi n ASP 81 Cb 0.00 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 1hqi n ASP 81 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1hqi n ASP 82 N 0.00 4.67 -1.67 -2.24 2.03 -1.26 -5.04 116.55 113.03 1hqi n ASP 82 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1hqi n ASP 82 Cb 0.00 0.56 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1hqi n ASP 82 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1hqi n ARG 83 N -2.02 2.17 -4.00 -0.67 0.63 -1.26 -4.84 116.66 106.66 1hqi n ARG 83 Ca -0.02 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.62 1hqi n ARG 83 Cb 0.52 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 33.26 1hqi n ARG 83 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 1hqi s PHE 84 N 0.96 1.84 -0.06 -0.14 5.36 -0.97 -4.29 117.98 120.69 1hqi s PHE 84 Ca 0.00 -0.98 -0.06 0.00 -0.96 0.00 0.00 56.93 54.93 1hqi s PHE 84 Cb 0.00 -1.42 0.02 0.00 -0.34 0.00 0.00 43.02 41.28 1hqi s PHE 84 CO 0.00 -0.58 0.17 0.54 -1.46 0.00 0.00 175.22 173.89 1hqi s VAL 85 N 1.54 0.00 0.00 3.12 0.11 -0.03 -0.50 120.40 124.64 1hqi s VAL 85 Ca 0.04 -0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 1hqi s VAL 85 Cb -0.13 -0.24 0.00 0.00 -1.53 0.00 0.00 36.38 34.48 1hqi s VAL 85 CO -0.09 -0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.68 1hqi n LEU 86 N 2.98 0.00 -4.96 2.54 -0.00 -1.04 -1.08 117.00 115.45 1hqi n LEU 86 Ca -0.13 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.64 1hqi n LEU 86 Cb 0.59 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 44.09 1hqi n LEU 86 CO 0.21 0.00 0.55 -1.83 -0.00 0.00 0.00 177.39 176.32 1hqi s GLU 87 N 1.46 1.96 -0.16 1.47 -1.05 -1.25 0.25 118.70 121.38 1hqi s GLU 87 Ca 0.00 -0.70 -0.29 0.00 -0.15 0.00 0.00 54.97 53.83 1hqi s GLU 87 Cb 0.00 -2.28 -0.01 0.00 -0.44 0.00 0.00 34.13 31.41 1hqi s GLU 87 CO 0.00 -1.29 1.12 -0.46 0.95 0.00 0.00 175.26 175.58 1hqi s TRP 88 N -3.15 3.22 0.00 4.83 -0.00 0.65 -3.53 118.94 120.95 1hqi s TRP 88 Ca 0.63 1.32 0.00 0.00 -0.00 0.00 0.00 56.10 58.05 1hqi s TRP 88 Cb -0.08 -3.34 0.00 0.00 -0.00 0.00 0.00 33.47 30.04 1hqi s TRP 88 CO 0.44 -0.91 0.58 1.17 -0.00 0.00 0.00 176.95 178.23 1hqi n LYS 89 N 5.92 0.00 0.00 5.86 3.00 -1.26 -4.82 118.16 126.86 1hqi n LYS 89 Ca 0.12 -0.16 0.13 0.00 -0.00 0.00 0.00 58.31 58.39 1hqi n LYS 89 Cb 0.46 -0.08 0.25 0.00 0.00 0.00 0.00 35.03 35.66 1hqi n LYS 89 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69