#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 -0.02 -0.10 3.17 0.15 -1.26 -5.10 113.70 110.54 1hqi s SER 2 Ca 0.00 0.03 -0.07 0.00 0.70 0.00 0.00 55.95 56.61 1hqi s SER 2 Cb 0.00 1.02 0.03 0.00 -1.71 0.00 0.00 66.02 65.36 1hqi s SER 2 CO 0.00 -0.00 0.14 -1.20 1.20 0.00 0.00 173.24 173.38 1hqi n SER 3 N 4.18 -1.47 -4.03 5.45 7.64 -1.26 -4.33 113.62 119.81 1hqi n SER 3 Ca -0.09 0.87 -0.08 0.00 1.01 0.00 0.00 58.87 60.59 1hqi n SER 3 Cb 0.56 -3.66 -0.09 0.00 -1.01 0.00 0.00 64.21 60.00 1hqi n SER 3 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1hqi s LEU 4 N -0.41 2.04 0.00 -3.43 0.05 -1.26 0.21 118.68 115.88 1hqi s LEU 4 Ca -0.17 -0.93 0.02 0.00 0.05 0.00 0.00 54.13 53.11 1hqi s LEU 4 Cb 0.01 0.49 0.02 0.00 -2.05 0.00 0.00 46.19 44.66 1hqi s LEU 4 CO 0.45 -0.67 0.18 0.52 -0.55 0.00 0.00 176.35 176.28 1hqi n VAL 5 N 0.02 0.00 -3.59 1.48 0.31 -0.94 -4.08 118.33 111.53 1hqi n VAL 5 Ca -0.13 -1.55 -0.16 0.00 -0.01 0.00 0.00 64.34 62.49 1hqi n VAL 5 Cb 0.62 0.01 -0.07 0.00 -0.91 0.00 0.00 33.84 33.49 1hqi n VAL 5 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1hqi s TYR 6 N -2.01 -0.69 -0.27 3.52 5.04 0.15 -1.66 117.35 121.42 1hqi s TYR 6 Ca 0.14 1.48 -0.22 0.00 -2.44 0.00 0.00 57.07 56.02 1hqi s TYR 6 Cb -0.01 0.32 0.07 0.00 0.35 0.00 0.00 41.96 42.69 1hqi s TYR 6 CO 0.09 -0.47 0.72 0.96 -1.34 0.00 0.00 175.55 175.51 1hqi s ILE 7 N -0.38 0.00 0.04 3.14 -4.36 -1.08 0.46 121.20 119.02 1hqi s ILE 7 Ca -0.05 0.00 0.04 0.00 -0.26 0.00 0.00 60.65 60.37 1hqi s ILE 7 Cb -0.03 -1.00 -0.02 0.00 1.25 0.00 0.00 42.46 42.66 1hqi s ILE 7 CO 0.05 0.00 -0.11 0.00 0.24 0.00 0.00 174.94 175.12 1hqi s ALA 8 N 0.74 0.93 0.21 2.27 0.00 -1.21 0.16 121.76 124.86 1hqi s ALA 8 Ca -0.03 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 1hqi s ALA 8 Cb -0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1hqi s ALA 8 CO -0.05 0.14 0.16 -0.59 0.00 0.00 0.00 175.76 175.42 1hqi s PHE 9 N -0.92 1.12 0.03 0.00 -0.12 -0.70 0.35 117.98 117.74 1hqi s PHE 9 Ca -0.02 -1.34 0.09 0.00 -0.05 0.00 0.00 56.93 55.61 1hqi s PHE 9 Cb -0.08 -0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 41.78 1hqi s PHE 9 CO 0.01 -0.68 -0.26 -1.14 -0.05 0.00 0.00 175.22 173.11 1hqi s GLN 10 N -4.12 1.90 0.16 1.99 2.00 0.99 -0.02 119.66 122.56 1hqi s GLN 10 Ca 0.38 -1.05 0.06 0.00 -2.00 0.00 0.00 55.36 52.75 1hqi s GLN 10 Cb 0.06 -2.02 -0.04 0.00 0.80 0.00 0.00 33.01 31.82 1hqi s GLN 10 CO 0.12 0.53 0.05 0.16 -0.50 0.00 0.00 175.29 175.65 1hqi s ASP 11 N -1.10 5.07 -0.09 6.67 1.47 -1.26 0.32 116.67 127.75 1hqi s ASP 11 Ca 0.12 -0.27 -0.03 0.00 1.18 0.00 0.00 52.55 53.54 1hqi s ASP 11 Cb -0.10 -1.19 -0.26 0.00 -0.34 0.00 0.00 42.92 41.03 1hqi s ASP 11 CO 0.02 0.09 0.47 -0.55 0.68 0.00 0.00 175.17 175.88 1hqi h ASN 12 N 2.71 0.36 0.00 2.11 -1.07 -1.93 -3.48 115.58 114.27 1hqi h ASN 12 Ca -0.47 -0.76 0.00 0.00 0.07 0.00 0.00 56.30 55.13 1hqi h ASN 12 Cb 1.20 -0.12 0.00 0.00 -2.07 0.00 0.00 38.32 37.33 1hqi h ASN 12 CO 0.60 1.68 0.00 -0.67 0.07 0.00 0.00 177.43 179.11 1hqi n ASP 13 N -3.41 0.00 -0.09 6.14 2.03 -1.26 -4.94 116.55 115.02 1hqi n ASP 13 Ca -0.28 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 54.94 1hqi n ASP 13 Cb 1.05 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 41.32 1hqi n ASP 13 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1hqi n ASN 14 N 0.00 0.79 0.32 1.67 3.02 -1.26 -4.25 115.26 115.55 1hqi n ASN 14 Ca 0.00 -0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.70 1hqi n ASN 14 Cb 0.00 0.89 0.78 0.00 -0.61 0.00 0.00 39.78 40.83 1hqi n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hqi h ALA 15 N 0.83 1.42 0.47 5.41 0.00 -1.93 -0.84 119.26 124.62 1hqi h ALA 15 Ca -0.47 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1hqi h ALA 15 Cb 2.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1hqi h ALA 15 CO 0.02 -0.39 -0.23 0.00 0.00 0.00 0.00 179.25 178.66 1hqi h ARG 16 N 0.00 -0.61 -0.96 0.00 3.08 -1.94 -1.83 114.38 112.11 1hqi h ARG 16 Ca 0.01 0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.18 1hqi h ARG 16 Cb 0.76 0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.88 1hqi h ARG 16 CO -0.00 -0.31 0.62 1.88 -1.07 0.00 0.00 179.97 181.09 1hqi h TYR 17 N -0.88 1.12 -0.26 3.04 -1.99 -1.42 0.15 116.97 116.73 1hqi h TYR 17 Ca -0.06 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.73 1hqi h TYR 17 Cb 0.58 -0.36 -0.04 0.00 2.00 0.00 0.00 36.73 38.91 1hqi h TYR 17 CO 0.00 0.55 0.02 0.28 -0.00 0.00 0.00 178.16 179.02 1hqi h VAL 18 N 1.07 0.84 0.00 -2.88 2.07 -1.34 0.22 116.25 116.24 1hqi h VAL 18 Ca 0.43 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.91 1hqi h VAL 18 Cb 0.26 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1hqi h VAL 18 CO -0.18 0.02 0.00 0.58 0.02 0.00 0.00 177.57 178.01 1hqi h VAL 19 N 0.11 0.00 0.02 2.57 2.07 -0.37 -2.51 116.25 118.14 1hqi h VAL 19 Ca 0.12 -0.34 -0.24 0.00 0.82 0.00 0.00 66.70 67.06 1hqi h VAL 19 Cb 0.14 1.29 0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1hqi h VAL 19 CO -0.18 0.00 -1.00 -0.08 0.02 0.00 0.00 177.57 176.33 1hqi h GLU 20 N 0.00 0.47 -0.09 1.57 4.81 0.13 -1.44 114.58 120.02 1hqi h GLU 20 Ca 0.00 -0.52 -0.20 0.00 -0.13 0.00 0.00 59.36 58.51 1hqi h GLU 20 Cb 0.36 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1hqi h GLU 20 CO 0.00 1.17 -0.76 0.00 -0.73 0.00 0.00 179.01 178.69 1hqi h ALA 21 N 0.64 0.51 -0.03 2.92 0.00 -0.76 -1.92 119.26 120.63 1hqi h ALA 21 Ca -0.10 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1hqi h ALA 21 Cb 1.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1hqi h ALA 21 CO 0.18 0.75 -0.06 0.82 0.00 0.00 0.00 179.25 180.93 1hqi h ILE 22 N 0.34 1.45 -0.93 0.00 2.04 -1.52 -2.10 117.51 116.78 1hqi h ILE 22 Ca -0.04 -1.42 0.06 0.00 1.00 0.00 0.00 64.86 64.46 1hqi h ILE 22 Cb 1.35 2.32 -0.06 0.00 -0.74 0.00 0.00 36.82 39.69 1hqi h ILE 22 CO 0.14 0.38 0.60 0.16 0.00 0.00 0.00 178.15 179.43 1hqi h ILE 23 N -0.45 1.10 -0.57 -0.67 -0.00 -1.31 -1.20 117.51 114.41 1hqi h ILE 23 Ca 0.00 -0.37 -0.03 0.00 -0.00 0.00 0.00 64.86 64.46 1hqi h ILE 23 Cb 0.65 -0.09 -0.03 0.00 -0.00 0.00 0.00 36.82 37.36 1hqi h ILE 23 CO 0.01 0.20 0.25 -0.61 -0.00 0.00 0.00 178.15 178.00 1hqi h GLN 24 N 1.09 0.85 -1.21 0.16 4.15 -1.28 -1.56 115.11 117.31 1hqi h GLN 24 Ca 0.39 -0.14 0.37 0.00 0.77 0.00 0.00 58.65 60.04 1hqi h GLN 24 Cb 0.14 -0.14 -0.12 0.00 0.21 0.00 0.00 27.48 27.57 1hqi h GLN 24 CO -0.14 0.71 0.77 0.22 -1.93 0.00 0.00 178.83 178.47 1hqi h ASP 25 N 0.79 0.32 -4.08 -0.69 3.58 -0.50 -2.52 116.42 113.32 1hqi h ASP 25 Ca 0.19 0.12 -0.66 0.00 0.42 0.00 0.00 57.03 57.10 1hqi h ASP 25 Cb 0.17 0.09 -0.39 0.00 1.72 0.00 0.00 39.33 40.92 1hqi h ASP 25 CO -0.02 -0.10 -0.48 0.54 -2.88 0.00 0.00 179.24 176.30 1hqi s ASN 26 N -4.76 4.83 -1.11 2.28 2.20 -0.59 -5.01 114.94 112.78 1hqi s ASN 26 Ca -0.08 -3.13 -0.24 0.00 -0.94 0.00 0.00 52.86 48.47 1hqi s ASN 26 Cb 0.28 -1.74 -0.14 0.00 -2.00 0.00 0.00 41.25 37.66 1hqi s ASN 26 CO 0.81 -0.26 2.02 -2.16 -2.94 0.00 0.00 177.10 174.58 1hqi s PRO 27 N -0.45 1.95 0.00 3.55 0.04 -0.95 -2.67 135.00 136.47 1hqi s PRO 27 Ca 0.19 -0.77 0.00 0.00 0.04 0.00 0.00 61.00 60.46 1hqi s PRO 27 Cb -0.20 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.23 1hqi s PRO 27 CO -0.04 -4.55 0.00 1.58 0.04 0.00 0.00 177.00 174.02 1hqi n HIS 28 N 16.58 0.00 -1.41 0.56 -0.00 -1.26 -5.13 115.22 124.56 1hqi n HIS 28 Ca 0.43 0.00 -0.47 0.00 0.46 0.00 0.00 57.72 58.14 1hqi n HIS 28 Cb 0.47 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.31 1hqi n HIS 28 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1hqi n ALA 29 N 0.00 -2.67 -2.35 1.57 0.00 -1.09 -4.94 120.51 111.03 1hqi n ALA 29 Ca 0.00 0.40 -0.20 0.00 0.00 0.00 0.00 53.44 53.64 1hqi n ALA 29 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1hqi n ALA 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1hqi s VAL 30 N -1.07 3.85 0.18 0.00 0.11 -1.26 -5.08 120.40 117.13 1hqi s VAL 30 Ca 0.63 -0.82 -0.18 0.00 -2.93 0.00 0.00 61.98 58.69 1hqi s VAL 30 Cb -0.88 -3.36 0.03 0.00 -1.53 0.00 0.00 36.38 30.64 1hqi s VAL 30 CO 0.57 -0.18 0.50 0.54 -3.33 0.00 0.00 175.10 173.20 1hqi s VAL 31 N -2.35 0.03 -0.28 2.04 0.11 -1.26 -4.34 120.40 114.35 1hqi s VAL 31 Ca 0.48 -0.69 -0.26 0.00 -2.93 0.00 0.00 61.98 58.58 1hqi s VAL 31 Cb -0.10 -1.46 0.16 0.00 -1.53 0.00 0.00 36.38 33.46 1hqi s VAL 31 CO 0.34 -0.15 1.27 -1.58 -3.33 0.00 0.00 175.10 171.65 1hqi s GLN 32 N -3.85 0.24 0.08 1.54 -0.44 -1.25 -5.04 119.66 110.93 1hqi s GLN 32 Ca 0.07 0.24 -0.05 0.00 -2.50 0.00 0.00 55.36 53.12 1hqi s GLN 32 Cb -0.00 0.12 -0.02 0.00 -1.64 0.00 0.00 33.01 31.46 1hqi s GLN 32 CO -0.05 -0.04 0.09 -3.38 0.50 0.00 0.00 175.29 172.41 1hqi s HIS 33 N -0.10 0.35 0.40 1.67 -3.43 -1.26 -1.92 115.29 110.99 1hqi s HIS 33 Ca 0.06 -0.83 0.00 0.00 -0.80 0.00 0.00 55.06 53.49 1hqi s HIS 33 Cb -0.04 -0.22 0.00 0.00 -1.43 0.00 0.00 32.58 30.89 1hqi s HIS 33 CO -0.11 -0.48 0.00 0.72 -2.00 0.00 0.00 174.74 172.88 1hqi n HIS 34 N 0.01 -4.24 0.14 0.38 8.25 -1.26 -4.97 115.22 113.54 1hqi n HIS 34 Ca -0.14 1.32 -0.13 0.00 -0.26 0.00 0.00 57.72 58.51 1hqi n HIS 34 Cb 0.62 3.29 -0.08 0.00 1.12 0.00 0.00 29.99 34.94 1hqi n HIS 34 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1hqi h PRO 35 N 0.00 -0.37 0.00 -0.41 0.13 -2.05 -3.48 132.00 125.82 1hqi h PRO 35 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1hqi h PRO 35 Cb 0.00 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.21 1hqi h PRO 35 CO 0.00 -0.05 0.00 0.00 -0.23 0.00 0.00 178.00 177.72 1hqi n ALA 36 N -2.46 0.00 -1.29 -0.56 0.00 -1.26 -5.13 120.51 109.81 1hqi n ALA 36 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.03 1hqi n ALA 36 Cb 0.26 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.79 1hqi n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hqi s MET 37 N -2.00 2.31 -0.22 0.00 0.23 -1.26 -4.73 119.30 113.63 1hqi s MET 37 Ca 0.00 1.26 -0.05 0.00 -1.03 0.00 0.00 55.69 55.87 1hqi s MET 37 Cb 0.00 -1.90 -0.01 0.00 -1.53 0.00 0.00 34.83 31.39 1hqi s MET 37 CO 0.00 -1.61 -0.01 0.96 -2.03 0.00 0.00 175.02 172.32 1hqi s ILE 38 N -2.73 3.64 0.92 3.16 -0.00 0.97 -4.28 121.20 122.88 1hqi s ILE 38 Ca 0.63 -0.40 -0.14 0.00 -0.00 0.00 0.00 60.65 60.74 1hqi s ILE 38 Cb -0.19 -2.67 0.19 0.00 -0.00 0.00 0.00 42.46 39.79 1hqi s ILE 38 CO 0.52 0.41 1.27 -0.13 -0.00 0.00 0.00 174.94 177.01 1hqi s ARG 39 N 1.45 0.83 0.18 0.37 0.52 -0.81 -1.71 118.95 119.78 1hqi s ARG 39 Ca 0.05 -0.51 -0.03 0.00 -0.52 0.00 0.00 55.73 54.72 1hqi s ARG 39 Cb -0.14 -1.92 0.01 0.00 0.52 0.00 0.00 34.95 33.41 1hqi s ARG 39 CO -0.01 -2.25 0.29 -0.89 0.02 0.00 0.00 175.30 172.46 1hqi n ILE 40 N -3.61 0.00 -3.55 1.52 5.41 0.42 -3.80 119.36 115.75 1hqi n ILE 40 Ca 0.15 -0.73 -0.07 0.00 1.00 0.00 0.00 62.75 63.10 1hqi n ILE 40 Cb 0.60 0.51 -0.02 0.00 -0.71 0.00 0.00 39.64 40.02 1hqi n ILE 40 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1hqi s GLU 41 N -2.27 0.56 0.23 0.38 2.02 -1.26 -2.64 118.70 115.72 1hqi s GLU 41 Ca 0.12 -0.16 0.02 0.00 0.02 0.00 0.00 54.97 54.97 1hqi s GLU 41 Cb -0.01 0.26 -0.01 0.00 0.10 0.00 0.00 34.13 34.47 1hqi s GLU 41 CO 0.09 -0.23 0.08 0.00 0.02 0.00 0.00 175.26 175.21 1hqi n ALA 42 N -0.05 0.31 -2.95 5.21 0.00 -0.66 -4.49 120.51 117.89 1hqi n ALA 42 Ca -0.05 -1.16 -0.15 0.00 0.00 0.00 0.00 53.44 52.08 1hqi n ALA 42 Cb 0.60 0.77 -0.00 0.00 0.00 0.00 0.00 19.45 20.82 1hqi n ALA 42 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1hqi n GLU 43 N -0.53 0.72 0.00 0.00 0.28 -1.26 -2.22 120.64 117.64 1hqi n GLU 43 Ca -0.04 -2.39 0.00 0.00 -0.16 0.00 0.00 57.16 54.57 1hqi n GLU 43 Cb 0.34 -1.37 0.00 0.00 1.43 0.00 0.00 31.44 31.84 1hqi n GLU 43 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1hqi n LYS 44 N 1.64 0.00 -4.31 3.44 3.00 0.57 -4.75 118.16 117.74 1hqi n LYS 44 Ca 0.15 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.25 1hqi n LYS 44 Cb 0.58 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.50 1hqi n LYS 44 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1hqi s ARG 45 N -0.66 1.22 -0.07 1.64 3.00 -1.26 -1.48 118.95 121.33 1hqi s ARG 45 Ca 0.00 -1.37 -0.05 0.00 0.00 0.00 0.00 55.73 54.31 1hqi s ARG 45 Cb 0.00 -1.24 0.03 0.00 0.00 0.00 0.00 34.95 33.74 1hqi s ARG 45 CO 0.00 0.25 0.18 -0.51 0.00 0.00 0.00 175.30 175.22 1hqi s LEU 46 N -2.61 1.01 -0.16 2.53 1.43 0.13 -4.84 118.68 116.18 1hqi s LEU 46 Ca 0.14 0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 53.50 1hqi s LEU 46 Cb -0.06 0.58 0.05 0.00 0.03 0.00 0.00 46.19 46.79 1hqi s LEU 46 CO 0.06 -0.10 0.40 -1.83 0.23 0.00 0.00 176.35 175.10 1hqi s GLU 47 N 0.57 0.42 0.04 1.70 1.03 -1.26 0.09 118.70 121.30 1hqi s GLU 47 Ca -0.04 0.65 0.01 0.00 0.03 0.00 0.00 54.97 55.62 1hqi s GLU 47 Cb -0.05 0.11 -0.03 0.00 -0.80 0.00 0.00 34.13 33.36 1hqi s GLU 47 CO -0.03 -0.10 -0.05 0.42 -1.33 0.00 0.00 175.26 174.16 1hqi s ILE 48 N 0.74 0.38 0.51 1.83 1.01 -1.07 -4.21 121.20 120.37 1hqi s ILE 48 Ca -0.04 -1.21 -0.20 0.00 0.00 0.00 0.00 60.65 59.19 1hqi s ILE 48 Cb -0.05 -0.73 -0.09 0.00 0.01 0.00 0.00 42.46 41.60 1hqi s ILE 48 CO -0.05 -0.55 0.72 -1.14 0.00 0.00 0.00 174.94 173.92 1hqi n ARG 49 N 1.17 0.79 -0.06 2.79 0.63 -1.26 -0.04 116.66 120.66 1hqi n ARG 49 Ca -0.21 0.30 -0.04 0.00 -0.92 0.00 0.00 57.85 56.98 1hqi n ARG 49 Cb 0.56 -1.83 -0.01 0.00 0.45 0.00 0.00 32.46 31.63 1hqi n ARG 49 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1hqi h ARG 50 N 0.70 0.00 -0.67 -0.14 1.12 -1.88 -2.76 114.38 110.75 1hqi h ARG 50 Ca -0.45 0.00 0.09 0.00 -1.11 0.00 0.00 59.98 58.52 1hqi h ARG 50 Cb 1.38 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 31.27 1hqi h ARG 50 CO 0.51 0.00 0.31 1.49 -3.11 0.00 0.00 179.97 179.16 1hqi h GLU 51 N -0.94 0.51 0.05 0.20 4.81 -1.99 0.12 114.58 117.34 1hqi h GLU 51 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1hqi h GLU 51 Cb 0.44 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1hqi h GLU 51 CO 0.00 0.34 -0.02 1.15 -0.73 0.00 0.00 179.01 179.74 1hqi h THR 52 N 0.52 1.23 -0.07 0.32 2.02 -1.97 -2.17 112.91 112.79 1hqi h THR 52 Ca 0.33 -0.94 0.02 0.00 0.77 0.00 0.00 66.41 66.59 1hqi h THR 52 Cb 0.37 1.85 -0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1hqi h THR 52 CO -0.28 0.24 0.25 0.58 0.37 0.00 0.00 175.52 176.67 1hqi h VAL 53 N -0.49 0.11 -0.06 3.16 2.07 -1.13 0.37 116.25 120.29 1hqi h VAL 53 Ca -0.01 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.26 1hqi h VAL 53 Cb 0.44 0.77 0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1hqi h VAL 53 CO 0.01 0.00 -0.94 -0.08 0.02 0.00 0.00 177.57 176.58 1hqi h GLU 54 N 0.00 0.74 0.37 1.57 4.81 -0.16 -1.88 114.58 120.03 1hqi h GLU 54 Ca 0.03 -0.72 -0.02 0.00 -0.13 0.00 0.00 59.36 58.53 1hqi h GLU 54 Cb 0.53 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1hqi h GLU 54 CO -0.00 1.30 -0.18 1.49 -0.73 0.00 0.00 179.01 180.89 1hqi h GLU 55 N 0.45 -0.48 -0.44 1.92 4.81 0.16 -2.58 114.58 118.40 1hqi h GLU 55 Ca -0.10 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.29 1hqi h GLU 55 Cb 1.59 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 31.06 1hqi h GLU 55 CO 0.19 -0.17 0.33 -0.97 -0.73 0.00 0.00 179.01 177.66 1hqi h ASN 56 N -0.92 0.00 0.49 1.04 -0.00 -1.40 0.22 115.58 115.02 1hqi h ASN 56 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.22 1hqi h ASN 56 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.86 1hqi h ASN 56 CO 0.08 0.00 -0.23 0.25 -0.00 0.00 0.00 177.43 177.53 1hqi h LEU 57 N 0.00 -0.56 -0.59 0.34 5.85 -1.13 -1.78 115.31 117.45 1hqi h LEU 57 Ca 0.21 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1hqi h LEU 57 Cb 0.87 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1hqi h LEU 57 CO -0.00 -0.25 0.00 0.61 -0.34 0.00 0.00 178.44 178.46 1hqi n GLY 58 N -0.77 -0.27 0.00 3.75 0.00 -0.79 -1.82 105.19 105.29 1hqi n GLY 58 Ca -0.11 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.09 0.00 0.01 1.61 0.63 0.72 -4.66 116.66 114.87 1hqi n ARG 59 Ca 0.09 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 57.07 1hqi n ARG 59 Cb 0.16 -0.02 -0.12 0.00 0.45 0.00 0.00 32.46 32.94 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 -2.16 2.38 -0.07 5.13 0.00 -1.07 -4.05 120.51 120.69 1hqi n ALA 60 Ca 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 53.44 52.80 1hqi n ALA 60 Cb 0.00 -0.78 0.14 0.00 0.00 0.00 0.00 19.45 18.81 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 -2.54 1.36 -0.98 0.00 -0.00 -0.70 -4.46 117.44 110.11 1hqi n TRP 61 Ca -0.09 -0.84 -0.15 0.00 -0.00 0.00 0.00 57.50 56.42 1hqi n TRP 61 Cb 0.71 -0.48 -0.03 0.00 -0.00 0.00 0.00 31.31 31.50 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 -0.06 6.03 -1.28 5.87 2.03 -0.76 -4.20 116.55 124.18 1hqi n ASP 62 Ca 0.24 -2.87 0.11 0.00 0.52 0.00 0.00 54.79 52.80 1hqi n ASP 62 Cb 0.95 -1.18 0.30 0.00 -0.72 0.00 0.00 41.12 40.47 1hqi n ASP 62 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1hqi n VAL 63 N 1.10 0.89 -0.58 5.18 0.31 -1.26 -4.52 118.33 119.45 1hqi n VAL 63 Ca 0.31 -0.92 0.47 0.00 -0.01 0.00 0.00 64.34 64.19 1hqi n VAL 63 Cb 0.62 0.53 0.72 0.00 -0.91 0.00 0.00 33.84 34.80 1hqi n VAL 63 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hqi n GLN 64 N 1.55 0.00 0.24 5.55 1.13 -1.26 0.23 117.38 124.82 1hqi n GLN 64 Ca 0.23 1.07 -0.15 0.00 -1.94 0.00 0.00 57.00 56.20 1hqi n GLN 64 Cb 0.59 -2.51 -0.08 0.00 0.11 0.00 0.00 30.24 28.36 1hqi n GLN 64 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1hqi h GLU 65 N 0.00 -0.63 0.00 -1.09 4.81 -1.96 -0.88 114.58 114.83 1hqi h GLU 65 Ca 0.82 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 60.10 1hqi h GLU 65 Cb 3.57 0.14 0.00 0.00 0.63 0.00 0.00 28.75 33.09 1hqi h GLU 65 CO -0.01 -0.42 0.00 -1.33 -0.73 0.00 0.00 179.01 176.52 1hqi n MET 66 N -5.40 0.03 0.21 1.92 2.81 0.13 -3.19 117.12 113.63 1hqi n MET 66 Ca -0.10 0.18 0.10 0.00 -1.81 0.00 0.00 57.70 56.07 1hqi n MET 66 Cb 0.31 -1.50 0.54 0.00 -0.71 0.00 0.00 33.22 31.85 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 0.00 -1.00 4.03 5.85 -0.60 -2.75 115.31 120.84 1hqi h LEU 67 Ca 0.00 0.00 0.35 0.00 0.84 0.00 0.00 57.88 59.07 1hqi h LEU 67 Cb 0.29 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 41.14 1hqi h LEU 67 CO 0.00 0.00 0.32 0.58 -0.34 0.00 0.00 178.44 179.00 1hqi h VAL 68 N 0.00 0.01 0.00 1.05 2.07 -1.69 -2.89 116.25 114.80 1hqi h VAL 68 Ca 0.00 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1hqi h VAL 68 Cb 0.51 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1hqi h VAL 68 CO 0.00 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.06 1hqi n ASP 69 N -5.36 0.00 -3.04 0.57 8.00 -1.04 -4.89 116.55 110.80 1hqi n ASP 69 Ca 0.31 0.24 -0.00 0.00 0.71 0.00 0.00 54.79 56.05 1hqi n ASP 69 Cb 1.05 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 1hqi n ASP 69 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1hqi n VAL 70 N -1.34 0.00 -3.93 2.53 0.31 0.98 -0.00 118.33 116.87 1hqi n VAL 70 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1hqi n VAL 70 Cb 0.00 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 1hqi n VAL 70 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1hqi n ILE 71 N -2.26 0.00 -2.66 2.52 2.08 -1.25 -3.04 119.36 114.75 1hqi n ILE 71 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1hqi n ILE 71 Cb 0.01 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.90 1hqi n ILE 71 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1hqi n THR 72 N 8.34 0.00 0.00 1.39 -2.24 1.09 -3.56 114.28 119.30 1hqi n THR 72 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1hqi n THR 72 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1hqi n THR 72 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1hqi n ILE 73 N 0.00 0.00 0.00 2.28 2.08 -1.24 -3.29 119.36 119.20 1hqi n ILE 73 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1hqi n ILE 73 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1hqi n ILE 73 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1hqi n GLY 74 N 0.00 -0.83 0.00 7.39 0.00 1.65 -4.68 105.19 108.73 1hqi n GLY 74 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 0.00 3.99 0.00 -0.02 0.00 -1.26 0.31 105.19 108.21 1hqi n GLY 75 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1hqi n GLY 75 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hqi n ASN 76 N 0.00 0.04 -3.32 1.61 5.15 -1.24 -4.58 115.26 112.92 1hqi n ASN 76 Ca 0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 1hqi n ASN 76 Cb 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.18 1hqi n ASN 76 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1hqi s VAL 77 N -0.91 -0.60 0.12 3.44 0.11 -1.26 -4.70 120.40 116.61 1hqi s VAL 77 Ca 0.00 -0.31 0.08 0.00 -2.93 0.00 0.00 61.98 58.83 1hqi s VAL 77 Cb 0.00 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 1hqi s VAL 77 CO 0.00 -0.30 -0.13 -1.81 -3.33 0.00 0.00 175.10 169.53 1hqi s ASP 78 N 2.52 4.17 0.34 3.54 1.01 -0.04 -4.94 116.67 123.27 1hqi s ASP 78 Ca 0.10 -0.48 0.09 0.00 0.71 0.00 0.00 52.55 52.97 1hqi s ASP 78 Cb -0.13 -0.70 -0.06 0.00 1.01 0.00 0.00 42.92 43.04 1hqi s ASP 78 CO -0.29 0.17 -0.05 -1.83 0.21 0.00 0.00 175.17 173.37 1hqi s GLU 79 N -2.27 1.94 0.00 8.23 -1.05 -1.26 -2.37 118.70 121.91 1hqi s GLU 79 Ca 0.20 -1.84 0.00 0.00 -0.15 0.00 0.00 54.97 53.19 1hqi s GLU 79 Cb -0.11 -1.81 0.00 0.00 -0.44 0.00 0.00 34.13 31.77 1hqi s GLU 79 CO 0.12 0.15 0.00 -0.40 0.95 0.00 0.00 175.26 176.08 1hqi n ASP 80 N -0.86 0.00 -0.11 0.83 5.75 -1.23 -4.99 116.55 115.93 1hqi n ASP 80 Ca -0.05 0.00 -0.20 0.00 -0.01 0.00 0.00 54.79 54.54 1hqi n ASP 80 Cb 0.63 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.60 1hqi n ASP 80 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1hqi n ASP 81 N 0.00 2.00 0.09 -1.12 2.03 -1.26 -4.91 116.55 113.38 1hqi n ASP 81 Ca 0.00 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1hqi n ASP 81 Cb 0.00 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 1hqi n ASP 81 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1hqi n ASP 82 N -3.41 0.36 -3.09 1.67 8.00 -1.26 -5.08 116.55 113.73 1hqi n ASP 82 Ca -0.44 0.30 -0.09 0.00 0.71 0.00 0.00 54.79 55.27 1hqi n ASP 82 Cb 0.98 0.07 0.08 0.00 -0.02 0.00 0.00 41.12 42.24 1hqi n ASP 82 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1hqi n ARG 83 N -3.41 -2.26 0.00 -1.24 3.00 -1.26 -4.82 116.66 106.67 1hqi n ARG 83 Ca 0.00 -0.41 0.00 0.00 -0.01 0.00 0.00 57.85 57.43 1hqi n ARG 83 Cb 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 32.46 31.91 1hqi n ARG 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1hqi n PHE 84 N -3.71 0.00 0.00 -1.55 7.35 0.94 -3.56 117.46 116.92 1hqi n PHE 84 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 1hqi n PHE 84 Cb 0.17 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.00 1hqi n PHE 84 CO 0.00 0.00 0.00 1.55 -0.76 0.00 0.00 176.76 177.55 1hqi n VAL 85 N 0.00 0.00 -4.31 -2.13 3.14 -1.00 -2.61 118.33 111.42 1hqi n VAL 85 Ca 0.00 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.19 1hqi n VAL 85 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 1hqi n VAL 85 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1hqi s LEU 86 N 0.00 2.14 0.00 6.55 2.96 0.11 -0.86 118.68 129.58 1hqi s LEU 86 Ca 0.00 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 1hqi s LEU 86 Cb 0.00 -0.50 0.00 0.00 0.50 0.00 0.00 46.19 46.19 1hqi s LEU 86 CO 0.00 0.02 0.00 -0.62 -1.32 0.00 0.00 176.35 174.43 1hqi n GLU 87 N 2.13 3.86 0.00 1.98 1.02 -1.19 0.22 120.64 128.65 1hqi n GLU 87 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 1hqi n GLU 87 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 1hqi n GLU 87 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1hqi n TRP 88 N 0.00 0.00 -3.02 -0.32 -0.00 -0.55 -4.55 117.44 109.00 1hqi n TRP 88 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.49 1hqi n TRP 88 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 31.30 1hqi n TRP 88 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1hqi n LYS 89 N 0.00 -1.64 0.00 5.87 4.01 -1.26 -4.29 118.16 120.86 1hqi n LYS 89 Ca 0.00 1.51 0.09 0.00 -0.51 0.00 0.00 58.31 59.40 1hqi n LYS 89 Cb 0.00 -1.60 0.51 0.00 -0.51 0.00 0.00 35.03 33.44 1hqi n LYS 89 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58