#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qb5 s ALA 2 N 0.00 3.02 0.78 4.61 0.00 -1.26 -4.99 121.76 123.92 1qb5 s ALA 2 Ca 0.00 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 1qb5 s ALA 2 Cb 0.00 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.80 1qb5 s ALA 2 CO 0.00 -0.61 1.09 -1.54 0.00 0.00 0.00 175.76 174.70 1qb5 s SER 3 N -1.32 4.44 0.21 0.00 1.04 -1.26 -4.83 113.70 111.99 1qb5 s SER 3 Ca 0.62 1.80 -0.09 0.00 0.48 0.00 0.00 55.95 58.75 1qb5 s SER 3 Cb -0.29 -2.50 0.19 0.00 0.10 0.00 0.00 66.02 63.53 1qb5 s SER 3 CO 0.35 -2.07 1.87 -0.61 0.98 0.00 0.00 173.24 173.76 1qb5 h GLN 4 N -1.16 0.94 -0.88 4.02 5.75 -1.99 -1.05 115.11 120.74 1qb5 h GLN 4 Ca -0.44 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.05 1qb5 h GLN 4 Cb 1.23 -0.21 -0.06 0.00 1.07 0.00 0.00 27.48 29.52 1qb5 h GLN 4 CO 0.52 0.62 0.55 0.35 -2.65 0.00 0.00 178.83 178.22 1qb5 h PHE 5 N 0.96 1.03 -0.11 3.99 3.57 -1.99 0.13 116.94 124.53 1qb5 h PHE 5 Ca 0.29 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.69 1qb5 h PHE 5 Cb -0.03 -0.34 0.01 0.00 2.79 0.00 0.00 35.95 38.37 1qb5 h PHE 5 CO -0.03 0.56 -0.45 0.35 -2.23 0.00 0.00 178.31 176.51 1qb5 h PHE 6 N 1.04 0.66 0.15 0.41 3.57 -1.83 -1.33 116.94 119.61 1qb5 h PHE 6 Ca 0.37 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1qb5 h PHE 6 Cb 0.10 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1qb5 h PHE 6 CO -0.02 1.05 -0.13 0.87 -2.23 0.00 0.00 178.31 177.85 1qb5 h LYS 7 N 0.09 -0.28 -0.91 1.11 1.57 -0.97 -1.36 116.57 115.81 1qb5 h LYS 7 Ca -0.03 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1qb5 h LYS 7 Cb 1.09 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.39 1qb5 h LYS 7 CO 0.09 -0.19 0.56 -0.44 -0.57 0.00 0.00 179.45 178.91 1qb5 h ASP 8 N -0.29 0.85 -0.06 0.86 3.32 -0.68 -1.49 116.42 118.93 1qb5 h ASP 8 Ca -0.00 0.03 -0.19 0.00 0.02 0.00 0.00 57.03 56.89 1qb5 h ASP 8 Cb 0.27 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1qb5 h ASP 8 CO -0.02 0.50 -0.66 0.78 -1.72 0.00 0.00 179.24 178.12 1qb5 h ASN 9 N 0.96 0.79 0.41 6.45 -0.26 -0.94 -3.04 115.58 119.95 1qb5 h ASN 9 Ca 0.42 -0.47 -0.13 0.00 -0.56 0.00 0.00 56.30 55.56 1qb5 h ASN 9 Cb 0.30 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 1qb5 h ASN 9 CO -0.22 1.24 -0.54 0.00 -1.06 0.00 0.00 177.43 176.86 1qb5 n ASN 11 N -3.91 0.47 -0.53 0.00 5.03 -0.59 -2.16 115.26 113.57 1qb5 n ASN 11 Ca -0.02 0.63 0.14 0.00 0.87 0.00 0.00 54.58 56.19 1qb5 n ASN 11 Cb 0.56 -0.72 0.46 0.00 -1.02 0.00 0.00 39.78 39.07 1qb5 n ASN 11 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1qb5 n ARG 12 N -2.03 1.71 -4.26 3.52 1.74 -1.12 -4.93 116.66 111.30 1qb5 n ARG 12 Ca 0.02 -1.06 -0.26 0.00 -0.77 0.00 0.00 57.85 55.78 1qb5 n ARG 12 Cb 0.19 -1.48 -0.08 0.00 -1.02 0.00 0.00 32.46 30.07 1qb5 n ARG 12 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1qb5 s THR 13 N -2.02 2.16 -1.15 0.55 -4.23 -0.92 -5.02 115.64 105.02 1qb5 s THR 13 Ca 0.36 -1.77 0.20 0.00 -1.18 0.00 0.00 61.69 59.30 1qb5 s THR 13 Cb 0.21 -2.93 0.22 0.00 1.34 0.00 0.00 72.50 71.34 1qb5 s THR 13 CO 0.34 0.00 1.62 0.35 -0.54 0.00 0.00 174.62 176.39 1qb5 n THR 14 N -1.20 0.57 -1.86 3.99 -2.24 -1.26 -4.86 114.28 107.42 1qb5 n THR 14 Ca -0.03 0.14 -0.30 0.00 -2.27 0.00 0.00 64.05 61.59 1qb5 n THR 14 Cb 0.65 -0.81 0.04 0.00 -2.10 0.00 0.00 70.33 68.11 1qb5 n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qb5 s ALA 15 N -2.85 2.90 0.23 6.98 0.00 -1.26 -4.80 121.76 122.96 1qb5 s ALA 15 Ca 0.13 -0.28 0.09 0.00 0.00 0.00 0.00 51.96 51.90 1qb5 s ALA 15 Cb 0.13 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1qb5 s ALA 15 CO 0.34 -1.08 -0.04 -1.54 0.00 0.00 0.00 175.76 173.44 1qb5 s SER 16 N -4.29 4.43 -0.23 0.00 1.04 0.41 -4.83 113.70 110.23 1qb5 s SER 16 Ca 0.58 -0.62 -0.10 0.00 0.48 0.00 0.00 55.95 56.28 1qb5 s SER 16 Cb -0.11 -0.80 -0.05 0.00 0.10 0.00 0.00 66.02 65.16 1qb5 s SER 16 CO 0.52 0.04 0.14 -0.22 0.98 0.00 0.00 173.24 174.70 1qb5 s LEU 17 N -3.36 4.06 -0.15 2.42 2.96 -1.26 -0.83 118.68 122.52 1qb5 s LEU 17 Ca 0.29 0.10 -0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1qb5 s LEU 17 Cb -0.07 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 1qb5 s LEU 17 CO 0.18 0.08 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.48 1qb5 s VAL 18 N 0.93 2.94 0.08 1.68 1.01 0.67 -4.98 120.40 122.73 1qb5 s VAL 18 Ca 0.07 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.45 1qb5 s VAL 18 Cb -0.13 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1qb5 s VAL 18 CO 0.03 0.51 -0.20 -1.61 0.00 0.00 0.00 175.10 173.83 1qb5 s GLU 19 N 0.60 1.86 -0.90 2.72 2.02 -1.26 -0.23 118.70 123.51 1qb5 s GLU 19 Ca -0.08 -1.11 -0.01 0.00 0.02 0.00 0.00 54.97 53.80 1qb5 s GLU 19 Cb -0.16 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 31.97 1qb5 s GLU 19 CO 0.03 0.51 0.07 0.41 0.02 0.00 0.00 175.26 176.30 1qb5 n GLY 20 N 1.25 -0.05 3.71 -1.39 0.00 -1.19 -4.98 105.19 102.55 1qb5 n GLY 20 Ca -0.16 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1qb5 n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qb5 s VAL 21 N -2.61 4.42 -0.35 1.61 1.01 -0.64 -4.82 120.40 119.01 1qb5 s VAL 21 Ca 0.04 1.74 -0.14 0.00 0.00 0.00 0.00 61.98 63.61 1qb5 s VAL 21 Cb -0.02 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 1qb5 s VAL 21 CO 0.04 0.11 0.31 -0.70 0.00 0.00 0.00 175.10 174.86 1qb5 s GLU 22 N 1.21 3.46 -0.06 2.72 2.56 -1.26 -1.96 118.70 125.37 1qb5 s GLU 22 Ca 0.55 -0.58 -0.18 0.00 0.00 0.00 0.00 54.97 54.76 1qb5 s GLU 22 Cb -0.25 -3.83 -0.05 0.00 2.00 0.00 0.00 34.13 32.00 1qb5 s GLU 22 CO 0.27 -0.52 0.48 -0.51 -0.56 0.00 0.00 175.26 174.42 1qb5 s LEU 23 N 1.86 4.36 0.00 2.70 1.43 -1.26 -1.37 118.68 126.40 1qb5 s LEU 23 Ca 0.09 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 1qb5 s LEU 23 Cb -0.17 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1qb5 s LEU 23 CO 0.11 0.11 0.03 0.35 0.23 0.00 0.00 176.35 177.18 1qb5 n THR 24 N 2.98 0.00 -4.18 5.49 -2.24 0.16 -4.13 114.28 112.35 1qb5 n THR 24 Ca -0.09 -0.41 -0.16 0.00 -2.27 0.00 0.00 64.05 61.12 1qb5 n THR 24 Cb 0.52 1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 69.62 1qb5 n THR 24 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1qb5 s LYS 25 N -0.78 0.55 -0.09 -0.78 -0.14 -1.06 -5.00 119.74 112.44 1qb5 s LYS 25 Ca 0.00 -0.41 0.00 0.00 -1.36 0.00 0.00 55.97 54.20 1qb5 s LYS 25 Cb 0.00 -0.47 0.02 0.00 -1.68 0.00 0.00 37.83 35.70 1qb5 s LYS 25 CO 0.00 0.12 -0.07 -0.47 -0.76 0.00 0.00 175.35 174.17 1qb5 s TYR 26 N -0.54 1.22 -0.06 3.18 5.04 -1.26 -1.65 117.35 123.27 1qb5 s TYR 26 Ca -0.01 -0.52 0.03 0.00 -2.44 0.00 0.00 57.07 54.14 1qb5 s TYR 26 Cb -0.05 -1.04 0.00 0.00 0.35 0.00 0.00 41.96 41.23 1qb5 s TYR 26 CO 0.00 -0.39 -0.16 0.42 -1.34 0.00 0.00 175.55 174.08 1qb5 s ILE 27 N 1.44 1.42 -0.13 3.14 1.01 -0.02 -5.01 121.20 123.06 1qb5 s ILE 27 Ca -0.01 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 59.99 1qb5 s ILE 27 Cb -0.13 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.09 1qb5 s ILE 27 CO -0.04 0.42 -0.21 -0.55 0.00 0.00 0.00 174.94 174.55 1qb5 s SER 28 N 0.36 3.22 -0.05 3.58 0.15 -1.26 -1.39 113.70 118.31 1qb5 s SER 28 Ca -0.11 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 55.98 1qb5 s SER 28 Cb -0.15 -1.45 0.02 0.00 -1.71 0.00 0.00 66.02 62.73 1qb5 s SER 28 CO 0.04 0.12 -0.02 -0.62 1.20 0.00 0.00 173.24 173.96 1qb5 s ASP 29 N 0.61 0.96 -0.02 5.45 -1.08 -0.63 -5.02 116.67 116.94 1qb5 s ASP 29 Ca -0.12 -0.09 0.10 0.00 -0.52 0.00 0.00 52.55 51.92 1qb5 s ASP 29 Cb -0.16 -0.38 0.28 0.00 -1.46 0.00 0.00 42.92 41.20 1qb5 s ASP 29 CO 0.03 -0.10 1.23 2.30 0.52 0.00 0.00 175.17 179.15 1qb5 n ILE 30 N 4.35 1.16 -1.85 4.11 -5.35 -1.26 -1.14 119.36 119.38 1qb5 n ILE 30 Ca -0.21 -1.12 -0.42 0.00 -0.27 0.00 0.00 62.75 60.73 1qb5 n ILE 30 Cb 0.50 0.40 -0.02 0.00 -1.74 0.00 0.00 39.64 38.78 1qb5 n ILE 30 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1qb5 s ASN 31 N -1.14 6.48 0.39 7.28 0.01 -1.26 -4.78 114.94 121.93 1qb5 s ASN 31 Ca 0.22 2.79 0.10 0.00 -0.71 0.00 0.00 52.86 55.26 1qb5 s ASN 31 Cb 0.13 -2.61 0.87 0.00 0.41 0.00 0.00 41.25 40.05 1qb5 s ASN 31 CO 0.12 -0.87 1.97 -0.55 -1.51 0.00 0.00 177.10 176.26 1qb5 h ASN 32 N 5.84 0.53 1.37 -1.22 7.08 -1.97 1.08 115.58 128.29 1qb5 h ASN 32 Ca -0.45 0.01 0.00 0.00 -3.08 0.00 0.00 56.30 52.78 1qb5 h ASN 32 Cb 1.21 -0.10 0.00 0.00 -2.08 0.00 0.00 38.32 37.35 1qb5 h ASN 32 CO 0.86 0.33 -0.26 -0.55 -2.08 0.00 0.00 177.43 175.73 1qb5 h ASN 33 N 0.59 0.00 0.00 6.14 -1.07 -2.00 -3.34 115.58 115.91 1qb5 h ASN 33 Ca 0.30 -0.06 0.00 0.00 0.07 0.00 0.00 56.30 56.61 1qb5 h ASN 33 Cb 0.40 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 1qb5 h ASN 33 CO -0.10 0.03 -0.03 0.35 0.07 0.00 0.00 177.43 177.75 1qb5 n THR 34 N -2.42 0.57 -1.48 6.14 -2.24 -0.70 -5.09 114.28 109.06 1qb5 n THR 34 Ca 0.04 -0.60 -0.50 0.00 -2.27 0.00 0.00 64.05 60.72 1qb5 n THR 34 Cb 0.46 0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 69.31 1qb5 n THR 34 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1qb5 n ASP 35 N -0.32 -0.10 0.00 3.42 2.03 0.37 -4.82 116.55 117.13 1qb5 n ASP 35 Ca 0.01 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.47 1qb5 n ASP 35 Cb 0.41 -1.04 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 1qb5 n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qb5 n GLY 36 N 1.80 2.43 3.47 0.27 0.00 -0.29 -4.99 105.19 107.88 1qb5 n GLY 36 Ca 0.17 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 1qb5 n GLY 36 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qb5 s MET 37 N -1.93 3.64 0.11 1.61 -1.94 -1.26 -1.61 119.30 117.93 1qb5 s MET 37 Ca 0.00 -0.52 0.04 0.00 -1.71 0.00 0.00 55.69 53.50 1qb5 s MET 37 Cb 0.00 -3.03 -0.04 0.00 2.01 0.00 0.00 34.83 33.77 1qb5 s MET 37 CO 0.00 0.09 -0.11 0.71 -0.01 0.00 0.00 175.02 175.70 1qb5 s TYR 38 N 0.79 1.16 0.12 -0.03 1.51 -0.49 -0.83 117.35 119.58 1qb5 s TYR 38 Ca -0.00 -0.67 0.06 0.00 -1.01 0.00 0.00 57.07 55.45 1qb5 s TYR 38 Cb -0.14 -0.62 -0.04 0.00 -0.11 0.00 0.00 41.96 41.05 1qb5 s TYR 38 CO 0.02 0.04 -0.16 0.14 -1.11 0.00 0.00 175.55 174.48 1qb5 s VAL 39 N -2.62 1.41 -0.04 0.71 -7.23 -0.60 -0.84 120.40 111.19 1qb5 s VAL 39 Ca 0.09 -1.64 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 1qb5 s VAL 39 Cb -0.02 -1.49 -0.00 0.00 0.56 0.00 0.00 36.38 35.43 1qb5 s VAL 39 CO 0.01 -0.31 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.64 1qb5 s VAL 40 N -1.82 1.24 0.70 1.32 1.01 -0.66 -1.52 120.40 120.66 1qb5 s VAL 40 Ca 0.07 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 1qb5 s VAL 40 Cb -0.07 -1.07 0.11 0.00 0.00 0.00 0.00 36.38 35.35 1qb5 s VAL 40 CO 0.04 0.36 0.97 -0.94 0.00 0.00 0.00 175.10 175.53 1qb5 s SER 41 N 0.08 4.50 0.60 3.32 1.04 -0.39 -0.66 113.70 122.19 1qb5 s SER 41 Ca -0.04 -0.20 0.36 0.00 0.48 0.00 0.00 55.95 56.56 1qb5 s SER 41 Cb -0.11 -0.28 1.89 0.00 0.10 0.00 0.00 66.02 67.63 1qb5 s SER 41 CO 0.02 -1.75 2.20 0.77 0.98 0.00 0.00 173.24 175.46 1qb5 h SER 42 N -0.47 0.00 0.00 7.02 4.64 -1.57 -0.71 113.55 122.46 1qb5 h SER 42 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1qb5 h SER 42 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1qb5 h SER 42 CO 0.44 0.03 -0.24 0.35 -0.87 0.00 0.00 176.83 176.54 1qb5 n THR 43 N -3.31 0.00 -0.53 2.95 -2.24 -1.26 -4.97 114.28 104.92 1qb5 n THR 43 Ca -0.02 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1qb5 n THR 43 Cb 0.16 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 1qb5 n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qb5 n GLY 44 N 1.36 0.72 3.79 3.38 0.00 -0.27 -5.06 105.19 109.12 1qb5 n GLY 44 Ca 0.12 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1qb5 n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qb5 s GLY 45 N -2.12 2.55 -0.00 -0.02 0.00 -1.26 -4.78 107.32 101.69 1qb5 s GLY 45 Ca 0.00 0.67 0.08 0.00 0.00 0.00 0.00 44.72 45.47 1qb5 s GLY 45 CO 0.00 1.00 -0.25 0.14 0.00 0.00 0.00 173.10 173.99 1qb5 s VAL 46 N -1.91 2.18 0.03 1.40 1.01 -1.26 -1.26 120.40 120.58 1qb5 s VAL 46 Ca 0.68 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1qb5 s VAL 46 Cb -0.18 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1qb5 s VAL 46 CO 0.22 0.52 -0.06 0.26 0.00 0.00 0.00 175.10 176.03 1qb5 s TRP 47 N -0.68 0.55 -0.02 5.22 0.51 -0.58 -3.96 118.94 119.99 1qb5 s TRP 47 Ca 0.11 -0.39 -0.11 0.00 -2.12 0.00 0.00 56.10 53.59 1qb5 s TRP 47 Cb -0.10 -0.34 -0.05 0.00 -0.81 0.00 0.00 33.47 32.17 1qb5 s TRP 47 CO 0.00 -0.07 0.32 0.50 -0.51 0.00 0.00 176.95 177.19 1qb5 s ARG 48 N -1.16 3.72 -0.03 4.98 3.52 0.17 -1.56 118.95 128.60 1qb5 s ARG 48 Ca -0.07 0.17 -0.21 0.00 -0.13 0.00 0.00 55.73 55.49 1qb5 s ARG 48 Cb -0.08 -3.16 -0.05 0.00 -1.56 0.00 0.00 34.95 30.10 1qb5 s ARG 48 CO 0.00 0.69 0.61 0.42 -0.81 0.00 0.00 175.30 176.21 1qb5 s ILE 49 N -1.14 4.96 0.58 4.11 1.01 -0.01 -1.11 121.20 129.61 1qb5 s ILE 49 Ca 0.23 1.27 -0.20 0.00 0.00 0.00 0.00 60.65 61.95 1qb5 s ILE 49 Cb -0.15 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 1qb5 s ILE 49 CO 0.12 0.37 1.30 -0.44 0.00 0.00 0.00 174.94 176.29 1qb5 s SER 50 N 0.12 5.08 0.20 3.58 0.01 -1.25 -4.67 113.70 116.78 1qb5 s SER 50 Ca 0.32 2.62 0.07 0.00 1.31 0.00 0.00 55.95 60.27 1qb5 s SER 50 Cb -0.18 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.38 1qb5 s SER 50 CO 0.17 -1.68 -0.13 0.00 0.41 0.00 0.00 173.24 172.00 1qb5 s ARG 51 N -3.13 1.30 -0.29 12.44 1.70 -1.26 -4.82 118.95 124.90 1qb5 s ARG 51 Ca 0.76 -1.58 -0.18 0.00 -0.47 0.00 0.00 55.73 54.26 1qb5 s ARG 51 Cb -0.37 -1.04 0.14 0.00 -0.57 0.00 0.00 34.95 33.11 1qb5 s ARG 51 CO 0.41 0.15 1.00 0.00 -1.08 0.00 0.00 175.30 175.78 1qb5 s ALA 52 N -3.04 -2.23 -0.15 7.88 0.00 -1.26 -5.04 121.76 117.93 1qb5 s ALA 52 Ca 0.22 2.14 0.22 0.00 0.00 0.00 0.00 51.96 54.54 1qb5 s ALA 52 Cb 0.00 -1.67 -0.15 0.00 0.00 0.00 0.00 23.12 21.30 1qb5 s ALA 52 CO 0.06 -0.32 0.79 0.36 0.00 0.00 0.00 175.76 176.65 1qb5 n LYS 53 N 3.42 0.63 -3.32 0.00 2.85 -1.26 -4.03 118.16 116.45 1qb5 n LYS 53 Ca -0.17 -0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.80 1qb5 n LYS 53 Cb 0.57 -1.70 -0.03 0.00 -0.65 0.00 0.00 35.03 33.22 1qb5 n LYS 53 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1qb5 s ASP 54 N -5.06 6.46 0.37 -5.58 2.15 -1.26 -4.77 116.67 108.98 1qb5 s ASP 54 Ca -0.04 0.75 -0.26 0.00 0.43 0.00 0.00 52.55 53.43 1qb5 s ASP 54 Cb 0.11 -2.16 -0.09 0.00 -0.30 0.00 0.00 42.92 40.48 1qb5 s ASP 54 CO 0.84 -0.20 1.10 -0.47 -0.17 0.00 0.00 175.17 176.27 1qb5 s TYR 55 N -2.08 3.28 -2.45 -5.34 6.14 -1.26 -0.52 117.35 115.11 1qb5 s TYR 55 Ca 0.44 1.63 0.28 0.00 0.64 0.00 0.00 57.07 60.06 1qb5 s TYR 55 Cb -0.11 -3.25 0.95 0.00 0.42 0.00 0.00 41.96 39.97 1qb5 s TYR 55 CO 0.29 -0.83 1.69 -0.35 0.64 0.00 0.00 175.55 176.99 1qb5 n PRO 56 N 0.28 1.62 0.05 4.97 -0.04 -1.26 -4.87 135.00 135.75 1qb5 n PRO 56 Ca 0.03 -0.98 0.12 0.00 -0.04 0.00 0.00 63.50 62.63 1qb5 n PRO 56 Cb 0.47 -1.48 0.49 0.00 -0.04 0.00 0.00 33.50 32.94 1qb5 n PRO 56 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1qb5 n ASP 57 N 0.17 0.37 0.22 3.54 8.00 -0.75 -1.83 116.55 126.28 1qb5 n ASP 57 Ca 0.18 0.55 0.09 0.00 0.71 0.00 0.00 54.79 56.32 1qb5 n ASP 57 Cb 0.37 -0.64 0.49 0.00 -0.02 0.00 0.00 41.12 41.31 1qb5 n ASP 57 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1qb5 h ASN 58 N 0.00 0.00 0.09 -2.24 7.08 -0.94 -0.23 115.58 119.34 1qb5 h ASN 58 Ca 0.00 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1qb5 h ASN 58 Cb 0.53 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.77 1qb5 h ASN 58 CO 0.00 0.25 -0.04 0.58 -2.08 0.00 0.00 177.43 176.14 1qb5 h VAL 59 N 0.00 1.14 -1.01 6.14 2.07 -1.62 -2.09 116.25 120.89 1qb5 h VAL 59 Ca -0.00 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.29 1qb5 h VAL 59 Cb 0.68 1.90 -0.05 0.00 -1.52 0.00 0.00 31.29 32.29 1qb5 h VAL 59 CO 0.03 0.29 0.66 0.24 0.02 0.00 0.00 177.57 178.81 1qb5 h MET 60 N -0.74 1.29 -0.00 1.57 2.86 -1.51 -1.02 114.93 117.37 1qb5 h MET 60 Ca -0.01 -0.08 -0.18 0.00 -2.06 0.00 0.00 59.70 57.37 1qb5 h MET 60 Cb 0.56 -0.29 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1qb5 h MET 60 CO 0.02 0.85 -0.80 1.79 1.06 0.00 0.00 176.91 179.83 1qb5 h THR 61 N 1.32 1.52 -0.69 2.22 1.35 -1.10 -0.28 112.91 117.25 1qb5 h THR 61 Ca 0.38 -2.59 -0.01 0.00 -0.55 0.00 0.00 66.41 63.65 1qb5 h THR 61 Cb -0.09 2.41 -0.03 0.00 -1.73 0.00 0.00 68.15 68.71 1qb5 h THR 61 CO -0.10 0.75 0.41 0.00 -0.25 0.00 0.00 175.52 176.32 1qb5 h ALA 62 N 1.12 1.42 -0.05 6.62 0.00 -0.99 -2.29 119.26 125.09 1qb5 h ALA 62 Ca -0.02 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1qb5 h ALA 62 Cb 1.41 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1qb5 h ALA 62 CO 0.11 0.50 -0.54 0.93 0.00 0.00 0.00 179.25 180.25 1qb5 h GLU 63 N 0.95 0.14 -0.90 0.00 4.39 -0.44 -2.37 114.58 116.36 1qb5 h GLU 63 Ca 0.25 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1qb5 h GLU 63 Cb -0.02 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 1qb5 h GLU 63 CO -0.05 0.64 0.48 0.52 -1.16 0.00 0.00 179.01 179.44 1qb5 h MET 64 N 0.11 1.26 -0.50 2.33 2.86 -0.53 -0.49 114.93 119.96 1qb5 h MET 64 Ca -0.00 -0.16 -0.10 0.00 -2.06 0.00 0.00 59.70 57.38 1qb5 h MET 64 Cb 0.99 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 1qb5 h MET 64 CO 0.08 0.93 -0.08 0.00 1.06 0.00 0.00 176.91 178.90 1qb5 h ARG 65 N 1.26 0.90 -0.57 1.72 3.08 -1.14 -0.45 114.38 119.18 1qb5 h ARG 65 Ca 0.31 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 1qb5 h ARG 65 Cb 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1qb5 h ARG 65 CO -0.05 0.95 0.07 0.87 -1.07 0.00 0.00 179.97 180.73 1qb5 h LYS 66 N 0.82 0.96 -0.39 0.04 1.57 -1.03 -1.40 116.57 117.14 1qb5 h LYS 66 Ca 0.14 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 1qb5 h LYS 66 Cb 0.60 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1qb5 h LYS 66 CO 0.04 0.93 0.09 0.82 -0.57 0.00 0.00 179.45 180.76 1qb5 h ILE 67 N 0.86 1.23 -0.05 1.86 2.04 -0.96 -0.99 117.51 121.49 1qb5 h ILE 67 Ca 0.17 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.25 1qb5 h ILE 67 Cb 0.45 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1qb5 h ILE 67 CO 0.02 0.27 0.01 0.00 0.00 0.00 0.00 178.15 178.45 1qb5 h ALA 68 N 0.94 0.05 -0.58 1.87 0.00 -0.89 -1.13 119.26 119.53 1qb5 h ALA 68 Ca 0.12 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1qb5 h ALA 68 Cb 0.31 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1qb5 h ALA 68 CO 0.00 -0.46 0.15 1.98 0.00 0.00 0.00 179.25 180.91 1qb5 h MET 69 N 0.04 0.92 -0.91 0.00 1.85 -1.25 -2.28 114.93 113.31 1qb5 h MET 69 Ca 0.02 -0.22 0.09 0.00 -0.61 0.00 0.00 59.70 58.98 1qb5 h MET 69 Cb 0.02 -0.12 -0.07 0.00 0.43 0.00 0.00 31.60 31.85 1qb5 h MET 69 CO -0.03 0.85 0.56 0.00 -0.40 0.00 0.00 176.91 177.89 1qb5 h ALA 70 N 1.03 1.31 -0.49 0.39 0.00 -0.92 -0.85 119.26 119.73 1qb5 h ALA 70 Ca 0.18 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1qb5 h ALA 70 Cb 0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1qb5 h ALA 70 CO 0.00 0.23 0.09 0.00 0.00 0.00 0.00 179.25 179.57 1qb5 h ALA 71 N 1.47 0.64 -0.56 0.00 0.00 -0.89 -0.77 119.26 119.15 1qb5 h ALA 71 Ca 0.43 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1qb5 h ALA 71 Cb 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1qb5 h ALA 71 CO -0.23 0.36 0.05 0.28 0.00 0.00 0.00 179.25 179.71 1qb5 h VAL 72 N 0.67 1.26 -0.03 0.00 2.07 -1.06 0.13 116.25 119.29 1qb5 h VAL 72 Ca 0.15 -1.05 -0.14 0.00 0.82 0.00 0.00 66.70 66.48 1qb5 h VAL 72 Cb 0.37 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1qb5 h VAL 72 CO 0.01 0.38 -0.63 -0.07 0.02 0.00 0.00 177.57 177.27 1qb5 h LEU 73 N 0.85 0.15 -0.44 2.57 3.38 -1.00 -3.32 115.31 117.49 1qb5 h LEU 73 Ca 0.17 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1qb5 h LEU 73 Cb 0.48 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1qb5 h LEU 73 CO 0.02 0.74 -0.35 -1.54 0.09 0.00 0.00 178.44 177.41 1qb5 n SER 74 N -3.82 0.95 0.00 -0.43 3.41 -0.31 -4.99 113.62 108.43 1qb5 n SER 74 Ca -0.02 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 1qb5 n SER 74 Cb 0.63 0.70 0.00 0.00 -0.26 0.00 0.00 64.21 65.28 1qb5 n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qb5 n GLY 75 N 1.08 1.38 3.77 5.00 0.00 0.46 -5.00 105.19 111.87 1qb5 n GLY 75 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1qb5 n GLY 75 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qb5 s MET 76 N -0.03 4.13 0.52 1.61 -1.94 -1.21 -4.92 119.30 117.47 1qb5 s MET 76 Ca 0.00 2.12 -0.02 0.00 -1.71 0.00 0.00 55.69 56.08 1qb5 s MET 76 Cb 0.00 -2.87 0.01 0.00 2.01 0.00 0.00 34.83 33.98 1qb5 s MET 76 CO 0.00 -0.34 0.78 1.03 -0.01 0.00 0.00 175.02 176.47 1qb5 s ARG 77 N -2.07 2.90 0.09 2.03 0.52 -1.25 -4.63 118.95 116.54 1qb5 s ARG 77 Ca 0.54 -0.36 0.04 0.00 -0.52 0.00 0.00 55.73 55.42 1qb5 s ARG 77 Cb -0.37 -2.44 -0.03 0.00 0.52 0.00 0.00 34.95 32.63 1qb5 s ARG 77 CO 0.49 -0.52 -0.11 0.14 0.02 0.00 0.00 175.30 175.32 1qb5 s VAL 78 N -2.76 0.96 -0.10 3.52 -7.23 -0.83 -1.58 120.40 112.38 1qb5 s VAL 78 Ca 0.52 -1.59 -0.01 0.00 -1.81 0.00 0.00 61.98 59.09 1qb5 s VAL 78 Cb -0.10 -1.31 -0.03 0.00 0.56 0.00 0.00 36.38 35.50 1qb5 s VAL 78 CO 0.41 -0.51 -0.04 0.20 -0.31 0.00 0.00 175.10 174.84 1qb5 s ASN 79 N -2.34 4.83 0.11 4.85 0.02 -0.27 -1.63 114.94 120.52 1qb5 s ASN 79 Ca 0.04 -0.02 0.07 0.00 -1.02 0.00 0.00 52.86 51.93 1qb5 s ASN 79 Cb -0.04 -1.44 -0.04 0.00 0.02 0.00 0.00 41.25 39.76 1qb5 s ASN 79 CO 0.00 0.30 -0.17 -0.04 0.02 0.00 0.00 177.10 177.22 1qb5 s MET 80 N -0.45 1.05 -0.39 -0.60 -1.94 0.68 -0.21 119.30 117.44 1qb5 s MET 80 Ca 0.07 -1.17 -0.03 0.00 -1.71 0.00 0.00 55.69 52.85 1qb5 s MET 80 Cb -0.12 -1.13 0.10 0.00 2.01 0.00 0.00 34.83 35.69 1qb5 s MET 80 CO 0.02 0.25 0.17 0.00 -0.01 0.00 0.00 175.02 175.45 1qb5 s ALA 82 N 1.16 2.25 -0.23 0.00 0.00 -0.01 -0.36 121.76 124.56 1qb5 s ALA 82 Ca 0.06 -1.22 -0.16 0.00 0.00 0.00 0.00 51.96 50.64 1qb5 s ALA 82 Cb -0.22 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1qb5 s ALA 82 CO -0.04 0.53 0.39 0.45 0.00 0.00 0.00 175.76 177.10 1qb5 s SER 83 N -1.06 6.36 -0.00 0.00 0.15 0.26 -0.44 113.70 118.96 1qb5 s SER 83 Ca 0.11 0.42 0.02 0.00 0.70 0.00 0.00 55.95 57.20 1qb5 s SER 83 Cb -0.10 -2.22 0.07 0.00 -1.71 0.00 0.00 66.02 62.06 1qb5 s SER 83 CO 0.01 -0.13 1.01 -0.81 1.20 0.00 0.00 173.24 174.52 1qb5 n PRO 84 N 4.89 1.20 -0.44 5.44 -0.04 -1.26 -2.69 135.00 142.10 1qb5 n PRO 84 Ca -0.08 -0.28 -0.04 0.00 -0.04 0.00 0.00 63.50 63.06 1qb5 n PRO 84 Cb 0.51 -1.11 0.12 0.00 -0.04 0.00 0.00 33.50 32.97 1qb5 n PRO 84 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qb5 n ALA 85 N -0.24 3.44 -3.60 0.55 0.00 -1.26 -4.81 120.51 114.59 1qb5 n ALA 85 Ca 0.03 -1.00 -0.10 0.00 0.00 0.00 0.00 53.44 52.37 1qb5 n ALA 85 Cb 0.09 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.36 1qb5 n ALA 85 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1qb5 s SER 86 N -0.12 -0.39 -0.26 0.00 0.01 -1.26 -5.06 113.70 106.63 1qb5 s SER 86 Ca 0.23 0.53 -0.02 0.00 1.31 0.00 0.00 55.95 58.00 1qb5 s SER 86 Cb 0.18 0.46 0.03 0.00 0.21 0.00 0.00 66.02 66.90 1qb5 s SER 86 CO 0.05 -0.28 -0.05 -0.55 0.41 0.00 0.00 173.24 172.83 1qb5 s SER 87 N -0.70 4.42 0.92 2.44 0.15 -1.26 -1.78 113.70 117.88 1qb5 s SER 87 Ca -0.00 -0.88 -0.11 0.00 0.70 0.00 0.00 55.95 55.65 1qb5 s SER 87 Cb -0.02 -1.68 0.14 0.00 -1.71 0.00 0.00 66.02 62.75 1qb5 s SER 87 CO -0.01 -0.14 1.09 -2.16 1.20 0.00 0.00 173.24 173.22 1qb5 s PRO 88 N 1.33 1.06 0.65 5.44 0.04 -1.26 -5.10 135.00 137.17 1qb5 s PRO 88 Ca -0.00 0.91 -0.17 0.00 0.04 0.00 0.00 61.00 61.77 1qb5 s PRO 88 Cb -0.17 -1.78 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 1qb5 s PRO 88 CO -0.04 -2.40 1.23 -0.80 0.04 0.00 0.00 177.00 175.03 1qb5 s ASN 89 N -3.26 4.70 -0.12 6.66 0.01 -0.74 -4.54 114.94 117.65 1qb5 s ASN 89 Ca 0.64 2.43 -0.06 0.00 -0.71 0.00 0.00 52.86 55.17 1qb5 s ASN 89 Cb -0.19 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.83 1qb5 s ASN 89 CO 0.58 -1.92 0.08 -0.69 -1.51 0.00 0.00 177.10 173.63 1qb5 s VAL 90 N -1.68 4.96 -0.25 1.60 1.01 -1.10 -0.66 120.40 124.29 1qb5 s VAL 90 Ca 0.78 0.01 -0.26 0.00 0.00 0.00 0.00 61.98 62.50 1qb5 s VAL 90 Cb -0.32 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1qb5 s VAL 90 CO 0.39 0.57 0.92 -0.63 0.00 0.00 0.00 175.10 176.35 1qb5 s ILE 91 N -0.63 4.75 -0.05 2.22 1.01 -0.27 -0.57 121.20 127.66 1qb5 s ILE 91 Ca 0.12 1.71 0.19 0.00 0.00 0.00 0.00 60.65 62.67 1qb5 s ILE 91 Cb -0.12 -4.21 -0.30 0.00 0.01 0.00 0.00 42.46 37.85 1qb5 s ILE 91 CO 0.02 -0.16 0.38 0.79 0.00 0.00 0.00 174.94 175.98 1qb5 n TRP 92 N 6.20 0.00 -3.71 3.97 8.01 0.52 -3.74 117.44 128.68 1qb5 n TRP 92 Ca 0.08 0.00 -0.14 0.00 -1.31 0.00 0.00 57.50 56.13 1qb5 n TRP 92 Cb 0.47 -0.51 -0.08 0.00 -2.01 0.00 0.00 31.31 29.18 1qb5 n TRP 92 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1qb5 s ALA 93 N -3.24 -1.02 -0.00 6.99 0.00 -0.98 -4.99 121.76 118.51 1qb5 s ALA 93 Ca -0.07 0.71 -0.04 0.00 0.00 0.00 0.00 51.96 52.56 1qb5 s ALA 93 Cb 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.10 1qb5 s ALA 93 CO 0.81 -0.26 0.08 -1.50 0.00 0.00 0.00 175.76 174.88 1qb5 s ILE 94 N -0.92 0.07 -0.15 0.00 2.07 -1.26 -0.84 121.20 120.17 1qb5 s ILE 94 Ca -0.10 -0.57 0.00 0.00 -1.41 0.00 0.00 60.65 58.58 1qb5 s ILE 94 Cb -0.04 -0.31 0.03 0.00 0.13 0.00 0.00 42.46 42.28 1qb5 s ILE 94 CO 0.04 -0.31 -0.10 -0.70 -1.91 0.00 0.00 174.94 171.96 1qb5 s GLU 95 N -1.01 1.91 -0.05 3.50 2.12 0.71 -4.98 118.70 120.89 1qb5 s GLU 95 Ca -0.11 -0.51 -0.26 0.00 0.36 0.00 0.00 54.97 54.45 1qb5 s GLU 95 Cb -0.06 -2.00 -0.03 0.00 0.26 0.00 0.00 34.13 32.30 1qb5 s GLU 95 CO 0.00 -0.31 0.82 -1.17 -0.54 0.00 0.00 175.26 174.07 1qb5 s LEU 96 N 1.56 4.33 -0.12 2.70 2.96 -1.26 -1.11 118.68 127.74 1qb5 s LEU 96 Ca 0.03 1.37 0.03 0.00 -0.22 0.00 0.00 54.13 55.34 1qb5 s LEU 96 Cb -0.14 -3.28 0.01 0.00 0.50 0.00 0.00 46.19 43.28 1qb5 s LEU 96 CO -0.09 -0.19 -0.21 -1.83 -1.32 0.00 0.00 176.35 172.71 1qb5 s GLU 97 N 0.97 2.81 -0.10 1.98 -1.05 -0.62 -4.95 118.70 117.74 1qb5 s GLU 97 Ca 0.43 -0.78 -0.19 0.00 -0.15 0.00 0.00 54.97 54.28 1qb5 s GLU 97 Cb -0.19 -2.24 -0.16 0.00 -0.44 0.00 0.00 34.13 31.10 1qb5 s GLU 97 CO 0.22 0.03 0.61 0.00 0.95 0.00 0.00 175.26 177.07 1qb5 h ALA 98 N 7.15 -0.07 0.00 -0.84 0.00 -1.97 -3.33 119.26 120.20 1qb5 h ALA 98 Ca -0.28 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1qb5 h ALA 98 Cb 1.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1qb5 h ALA 98 CO 0.51 -0.10 0.00 -1.91 0.00 0.00 0.00 179.25 177.75