#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 2.94 0.77 4.61 0.00 -1.26 -4.98 121.76 123.84 1qb5 s ALA 2 Ca 0.00 1.27 -0.12 0.00 0.00 0.00 0.00 51.96 53.11 1qb5 s ALA 2 Cb 0.00 -3.53 0.06 0.00 0.00 0.00 0.00 23.12 19.65 1qb5 s ALA 2 CO 0.00 -1.18 1.14 -1.54 0.00 0.00 0.00 175.76 174.18 1qb5 s SER 3 N -0.95 4.17 0.35 0.00 1.04 -1.26 -4.85 113.70 112.19 1qb5 s SER 3 Ca 0.68 2.08 0.04 0.00 0.48 0.00 0.00 55.95 59.22 1qb5 s SER 3 Cb -0.38 -2.55 0.64 0.00 0.10 0.00 0.00 66.02 63.82 1qb5 s SER 3 CO 0.47 -2.27 1.92 -0.61 0.98 0.00 0.00 173.24 173.73 1qb5 h GLN 4 N -0.87 0.59 -0.50 4.02 5.75 -1.99 -1.63 115.11 120.48 1qb5 h GLN 4 Ca -0.45 -0.09 0.03 0.00 -0.15 0.00 0.00 58.65 57.98 1qb5 h GLN 4 Cb 1.26 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.67 1qb5 h GLN 4 CO 0.49 0.53 0.29 0.35 -2.65 0.00 0.00 178.83 177.84 1qb5 h PHE 5 N 0.59 0.54 -0.20 3.99 3.57 -1.99 0.81 116.94 124.25 1qb5 h PHE 5 Ca 0.14 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1qb5 h PHE 5 Cb 0.19 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1qb5 h PHE 5 CO 0.01 0.30 0.01 0.35 -2.23 0.00 0.00 178.31 176.75 1qb5 h PHE 6 N 0.57 0.37 -0.30 0.41 3.57 -1.83 -0.83 116.94 118.90 1qb5 h PHE 6 Ca 0.20 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1qb5 h PHE 6 Cb 0.04 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1qb5 h PHE 6 CO -0.07 0.52 0.16 0.87 -2.23 0.00 0.00 178.31 177.56 1qb5 h LYS 7 N 0.11 0.33 -0.49 1.11 1.57 -1.14 -1.07 116.57 116.99 1qb5 h LYS 7 Ca 0.06 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1qb5 h LYS 7 Cb 0.36 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1qb5 h LYS 7 CO 0.01 0.22 0.07 -0.44 -0.57 0.00 0.00 179.45 178.74 1qb5 h ASP 8 N 0.34 0.71 0.00 0.86 3.32 -0.65 -0.83 116.42 120.17 1qb5 h ASP 8 Ca 0.12 -0.14 -0.16 0.00 0.02 0.00 0.00 57.03 56.87 1qb5 h ASP 8 Cb 0.02 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1qb5 h ASP 8 CO -0.07 0.73 -0.54 0.78 -1.72 0.00 0.00 179.24 178.43 1qb5 h ASN 9 N 0.73 0.64 -0.10 6.45 2.35 -0.85 -3.03 115.58 121.76 1qb5 h ASN 9 Ca 0.16 -0.34 -0.17 0.00 -0.55 0.00 0.00 56.30 55.40 1qb5 h ASN 9 Cb 0.34 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 1qb5 h ASN 9 CO 0.01 1.05 -0.53 0.00 -1.65 0.00 0.00 177.43 176.31 1qb5 n ASN 11 N -3.98 0.07 -0.65 0.00 5.03 -0.35 -1.29 115.26 114.08 1qb5 n ASN 11 Ca -0.03 0.52 0.11 0.00 0.87 0.00 0.00 54.58 56.04 1qb5 n ASN 11 Cb 0.60 -0.53 0.34 0.00 -1.02 0.00 0.00 39.78 39.17 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 -1.58 1.86 -4.61 3.52 5.12 -1.18 -4.91 116.66 114.87 1qb5 n ARG 12 Ca 0.02 -1.29 -0.32 0.00 -1.93 0.00 0.00 57.85 54.34 1qb5 n ARG 12 Cb 0.13 -1.41 -0.07 0.00 -1.16 0.00 0.00 32.46 29.95 1qb5 n ARG 12 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1qb5 s THR 13 N -1.74 1.32 -0.83 0.55 -4.23 -0.41 -5.03 115.64 105.26 1qb5 s THR 13 Ca 0.33 -1.92 0.26 0.00 -1.18 0.00 0.00 61.69 59.18 1qb5 s THR 13 Cb 0.18 -2.24 0.18 0.00 1.34 0.00 0.00 72.50 71.96 1qb5 s THR 13 CO 0.27 0.00 1.67 0.35 -0.54 0.00 0.00 174.62 176.37 1qb5 n THR 14 N -1.31 0.29 -1.38 3.99 -2.24 -1.26 -4.91 114.28 107.46 1qb5 n THR 14 Ca -0.15 -0.16 -0.29 0.00 -2.27 0.00 0.00 64.05 61.18 1qb5 n THR 14 Cb 0.67 -0.35 0.15 0.00 -2.10 0.00 0.00 70.33 68.69 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 -3.07 1.49 0.10 6.98 0.00 -1.26 -4.83 121.76 121.17 1qb5 s ALA 15 Ca 0.11 -0.42 0.09 0.00 0.00 0.00 0.00 51.96 51.75 1qb5 s ALA 15 Cb 0.15 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1qb5 s ALA 15 CO 0.62 -2.45 -0.24 -1.54 0.00 0.00 0.00 175.76 172.15 1qb5 s SER 16 N -3.78 2.95 -0.04 0.00 1.04 0.53 -4.87 113.70 109.52 1qb5 s SER 16 Ca 0.64 -0.68 -0.30 0.00 0.48 0.00 0.00 55.95 56.09 1qb5 s SER 16 Cb -0.16 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.73 1qb5 s SER 16 CO 0.55 0.15 1.01 -0.76 0.98 0.00 0.00 173.24 175.17 1qb5 s LEU 17 N -1.80 4.32 -0.11 2.42 1.43 -1.26 -1.14 118.68 122.55 1qb5 s LEU 17 Ca 0.10 1.64 0.03 0.00 -1.03 0.00 0.00 54.13 54.87 1qb5 s LEU 17 Cb -0.10 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.57 1qb5 s LEU 17 CO 0.04 -0.36 -0.20 0.68 0.23 0.00 0.00 176.35 176.75 1qb5 s VAL 18 N 1.45 1.79 0.19 -1.59 -7.23 0.11 -4.99 120.40 110.14 1qb5 s VAL 18 Ca 0.51 -0.84 0.10 0.00 -1.81 0.00 0.00 61.98 59.95 1qb5 s VAL 18 Cb -0.21 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 1qb5 s VAL 18 CO 0.24 0.50 -0.17 -1.61 -0.31 0.00 0.00 175.10 173.75 1qb5 s GLU 19 N 0.70 1.78 -1.47 4.82 2.02 -1.26 -0.52 118.70 124.76 1qb5 s GLU 19 Ca -0.12 -1.43 -0.07 0.00 0.02 0.00 0.00 54.97 53.37 1qb5 s GLU 19 Cb -0.16 -1.98 0.02 0.00 0.10 0.00 0.00 34.13 32.11 1qb5 s GLU 19 CO 0.02 0.41 0.83 0.41 0.02 0.00 0.00 175.26 176.95 1qb5 n GLY 20 N 0.09 -0.53 3.70 -1.39 0.00 -1.18 -4.96 105.19 100.94 1qb5 n GLY 20 Ca -0.11 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.22 4.54 -0.31 1.61 1.01 -0.52 -4.84 120.40 118.67 1qb5 s VAL 21 Ca 0.44 1.82 -0.13 0.00 0.00 0.00 0.00 61.98 64.12 1qb5 s VAL 21 Cb -0.20 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1qb5 s VAL 21 CO 0.55 0.10 0.25 -0.70 0.00 0.00 0.00 175.10 175.30 1qb5 s GLU 22 N 1.32 3.71 -0.02 2.72 2.56 -1.26 -1.62 118.70 126.10 1qb5 s GLU 22 Ca 0.54 -0.45 -0.18 0.00 0.00 0.00 0.00 54.97 54.88 1qb5 s GLU 22 Cb -0.24 -3.74 -0.05 0.00 2.00 0.00 0.00 34.13 32.10 1qb5 s GLU 22 CO 0.26 -0.35 0.50 -0.51 -0.56 0.00 0.00 175.26 174.60 1qb5 s LEU 23 N 1.80 4.42 0.00 2.70 1.43 -1.26 -1.15 118.68 126.61 1qb5 s LEU 23 Ca 0.08 1.02 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 1qb5 s LEU 23 Cb -0.17 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.30 1qb5 s LEU 23 CO 0.11 0.17 0.00 0.35 0.23 0.00 0.00 176.35 177.21 1qb5 n THR 24 N 2.54 0.00 -4.14 5.49 -2.24 -0.07 -4.20 114.28 111.65 1qb5 n THR 24 Ca -0.10 -0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.27 1qb5 n THR 24 Cb 0.51 0.77 -0.12 0.00 -2.10 0.00 0.00 70.33 69.40 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 -1.17 0.62 -0.11 -0.78 1.02 -1.07 -5.01 119.74 113.24 1qb5 s LYS 25 Ca 0.00 -0.69 -0.00 0.00 0.02 0.00 0.00 55.97 55.30 1qb5 s LYS 25 Cb 0.00 -0.49 0.02 0.00 -0.52 0.00 0.00 37.83 36.84 1qb5 s LYS 25 CO 0.00 0.11 -0.08 -0.47 -0.92 0.00 0.00 175.35 173.98 1qb5 s TYR 26 N -1.07 1.50 -0.10 3.18 5.04 -1.26 -2.10 117.35 122.55 1qb5 s TYR 26 Ca -0.05 -0.73 0.03 0.00 -2.44 0.00 0.00 57.07 53.88 1qb5 s TYR 26 Cb -0.08 -1.22 -0.01 0.00 0.35 0.00 0.00 41.96 41.00 1qb5 s TYR 26 CO 0.01 -0.49 -0.21 0.42 -1.34 0.00 0.00 175.55 173.94 1qb5 s ILE 27 N 1.56 2.39 -0.12 3.14 1.01 -0.09 -5.01 121.20 124.08 1qb5 s ILE 27 Ca 0.02 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1qb5 s ILE 27 Cb -0.13 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 1qb5 s ILE 27 CO -0.07 0.55 -0.19 -0.55 0.00 0.00 0.00 174.94 174.69 1qb5 s SER 28 N 0.22 3.51 -0.03 3.58 0.15 -1.26 -1.54 113.70 118.33 1qb5 s SER 28 Ca -0.13 -0.46 -0.00 0.00 0.70 0.00 0.00 55.95 56.06 1qb5 s SER 28 Cb -0.16 -1.51 0.03 0.00 -1.71 0.00 0.00 66.02 62.67 1qb5 s SER 28 CO 0.07 0.15 0.03 -0.62 1.20 0.00 0.00 173.24 174.07 1qb5 s ASP 29 N 0.43 0.38 -0.03 5.45 -1.08 -0.76 -5.02 116.67 116.03 1qb5 s ASP 29 Ca -0.14 0.03 0.07 0.00 -0.52 0.00 0.00 52.55 51.99 1qb5 s ASP 29 Cb -0.17 -0.12 0.18 0.00 -1.46 0.00 0.00 42.92 41.35 1qb5 s ASP 29 CO 0.06 -0.15 1.14 2.30 0.52 0.00 0.00 175.17 179.04 1qb5 n ILE 30 N 4.40 1.19 -1.88 4.11 -5.35 -1.26 -0.89 119.36 119.68 1qb5 n ILE 30 Ca -0.23 -1.19 -0.41 0.00 -0.27 0.00 0.00 62.75 60.65 1qb5 n ILE 30 Cb 0.50 0.37 -0.00 0.00 -1.74 0.00 0.00 39.64 38.77 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 -1.26 6.30 0.23 7.28 0.01 -1.26 -4.73 114.94 121.51 1qb5 s ASN 31 Ca 0.15 2.92 -0.16 0.00 -0.71 0.00 0.00 52.86 55.06 1qb5 s ASN 31 Cb 0.10 -2.66 0.27 0.00 0.41 0.00 0.00 41.25 39.37 1qb5 s ASN 31 CO 0.07 -0.89 1.52 0.59 -1.51 0.00 0.00 177.10 176.88 1qb5 n ASN 32 N 0.33 -0.59 -0.53 -1.22 3.02 -1.26 -0.82 115.26 114.18 1qb5 n ASN 32 Ca 0.02 1.71 0.13 0.00 -0.03 0.00 0.00 54.58 56.40 1qb5 n ASN 32 Cb 0.41 -0.41 0.26 0.00 -0.61 0.00 0.00 39.78 39.42 1qb5 n ASN 32 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1qb5 n ASN 33 N -5.47 1.85 -0.47 6.41 5.15 -1.26 -4.14 115.26 117.33 1qb5 n ASN 33 Ca 0.11 -1.46 0.06 0.00 -0.60 0.00 0.00 54.58 52.69 1qb5 n ASN 33 Cb 0.41 0.15 0.10 0.00 -0.53 0.00 0.00 39.78 39.91 1qb5 n ASN 33 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1qb5 n THR 34 N 0.18 1.18 -1.99 -0.44 -1.04 -0.40 -5.05 114.28 106.71 1qb5 n THR 34 Ca 0.14 -1.65 -0.39 0.00 -2.04 0.00 0.00 64.05 60.10 1qb5 n THR 34 Cb 0.44 0.12 -0.03 0.00 -1.82 0.00 0.00 70.33 69.04 1qb5 n THR 34 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1qb5 s ASP 35 N -2.31 5.30 0.00 8.00 2.15 0.00 -4.63 116.67 125.18 1qb5 s ASP 35 Ca 0.24 0.56 0.00 0.00 0.43 0.00 0.00 52.55 53.78 1qb5 s ASP 35 Cb 0.23 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 1qb5 s ASP 35 CO -0.02 -2.31 0.00 0.61 -0.17 0.00 0.00 175.17 173.28 1qb5 n GLY 36 N 5.68 -1.17 3.34 2.66 0.00 -0.07 -4.99 105.19 110.64 1qb5 n GLY 36 Ca 0.22 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.84 3.36 0.12 1.61 -1.94 -1.26 -1.83 119.30 118.52 1qb5 s MET 37 Ca 0.00 -0.68 0.04 0.00 -1.71 0.00 0.00 55.69 53.34 1qb5 s MET 37 Cb 0.00 -2.72 -0.04 0.00 2.01 0.00 0.00 34.83 34.08 1qb5 s MET 37 CO 0.00 0.09 -0.10 0.71 -0.01 0.00 0.00 175.02 175.70 1qb5 s TYR 38 N 0.68 1.19 0.09 -0.03 1.51 -0.59 -0.50 117.35 119.71 1qb5 s TYR 38 Ca -0.06 -0.70 0.05 0.00 -1.01 0.00 0.00 57.07 55.35 1qb5 s TYR 38 Cb -0.15 -0.63 -0.03 0.00 -0.11 0.00 0.00 41.96 41.04 1qb5 s TYR 38 CO 0.02 0.05 -0.14 0.14 -1.11 0.00 0.00 175.55 174.52 1qb5 s VAL 39 N -2.88 1.18 -0.02 0.71 -7.23 -0.30 -0.92 120.40 110.93 1qb5 s VAL 39 Ca 0.11 -1.50 0.05 0.00 -1.81 0.00 0.00 61.98 58.83 1qb5 s VAL 39 Cb -0.00 -1.28 -0.01 0.00 0.56 0.00 0.00 36.38 35.65 1qb5 s VAL 39 CO 0.00 -0.34 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.61 1qb5 s VAL 40 N -1.74 1.28 0.55 1.32 1.01 -0.89 -1.07 120.40 120.85 1qb5 s VAL 40 Ca 0.03 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1qb5 s VAL 40 Cb -0.07 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.26 1qb5 s VAL 40 CO 0.02 0.37 0.78 -0.94 0.00 0.00 0.00 175.10 175.32 1qb5 s SER 41 N -0.18 5.32 0.56 3.32 1.04 0.31 -0.89 113.70 123.17 1qb5 s SER 41 Ca 0.02 0.05 0.25 0.00 0.48 0.00 0.00 55.95 56.75 1qb5 s SER 41 Cb -0.08 -0.96 1.50 0.00 0.10 0.00 0.00 66.02 66.58 1qb5 s SER 41 CO 0.00 -1.11 2.07 0.77 0.98 0.00 0.00 173.24 175.95 1qb5 h SER 42 N 0.07 0.00 0.69 7.02 4.64 -1.46 0.14 113.55 124.64 1qb5 h SER 42 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1qb5 h SER 42 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1qb5 h SER 42 CO 0.53 0.00 -0.10 1.07 -0.87 0.00 0.00 176.83 177.46 1qb5 n THR 43 N -4.11 0.00 -0.57 2.95 5.66 -1.26 -4.94 114.28 112.01 1qb5 n THR 43 Ca 0.04 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1qb5 n THR 43 Cb 0.39 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 1qb5 n THR 43 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1qb5 n GLY 44 N 1.40 0.74 3.86 1.09 0.00 0.49 -5.06 105.19 107.71 1qb5 n GLY 44 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.87 1.79 -0.02 -0.02 0.00 -1.26 -4.75 107.32 101.18 1qb5 s GLY 45 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 44.72 44.73 1qb5 s GLY 45 CO 0.00 0.24 -0.10 0.14 0.00 0.00 0.00 173.10 173.38 1qb5 s VAL 46 N -2.96 0.86 0.06 1.40 1.01 -1.26 -0.53 120.40 119.00 1qb5 s VAL 46 Ca 0.56 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1qb5 s VAL 46 Cb -0.11 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1qb5 s VAL 46 CO 0.46 0.26 -0.09 0.26 0.00 0.00 0.00 175.10 175.98 1qb5 s TRP 47 N 0.10 0.88 -0.14 5.22 0.51 -0.23 -4.00 118.94 121.27 1qb5 s TRP 47 Ca -0.02 -0.56 -0.12 0.00 -2.12 0.00 0.00 56.10 53.28 1qb5 s TRP 47 Cb -0.08 -0.51 -0.05 0.00 -0.81 0.00 0.00 33.47 32.03 1qb5 s TRP 47 CO 0.00 -0.05 0.26 0.50 -0.51 0.00 0.00 176.95 177.16 1qb5 s ARG 48 N -2.07 4.08 -0.04 4.98 3.52 0.21 -1.15 118.95 128.48 1qb5 s ARG 48 Ca -0.03 0.05 -0.25 0.00 -0.13 0.00 0.00 55.73 55.36 1qb5 s ARG 48 Cb -0.07 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.92 1qb5 s ARG 48 CO 0.00 0.38 0.78 0.42 -0.81 0.00 0.00 175.30 176.07 1qb5 s ILE 49 N 0.05 4.98 0.57 4.11 1.01 0.35 -0.70 121.20 131.56 1qb5 s ILE 49 Ca 0.16 1.62 -0.20 0.00 0.00 0.00 0.00 60.65 62.23 1qb5 s ILE 49 Cb -0.13 -4.12 -0.06 0.00 0.01 0.00 0.00 42.46 38.16 1qb5 s ILE 49 CO 0.04 0.23 0.99 -1.20 0.00 0.00 0.00 174.94 175.01 1qb5 n SER 50 N 3.75 0.96 -4.35 3.58 7.64 -1.23 -4.62 113.62 119.36 1qb5 n SER 50 Ca 0.01 0.86 -0.28 0.00 1.01 0.00 0.00 58.87 60.46 1qb5 n SER 50 Cb 0.51 -1.39 -0.13 0.00 -1.01 0.00 0.00 64.21 62.19 1qb5 n SER 50 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1qb5 s ARG 51 N -2.63 1.41 -0.15 1.43 0.52 -1.26 -4.86 118.95 113.42 1qb5 s ARG 51 Ca 0.73 -1.23 -0.12 0.00 -0.52 0.00 0.00 55.73 54.59 1qb5 s ARG 51 Cb -0.44 -1.77 0.04 0.00 0.52 0.00 0.00 34.95 33.31 1qb5 s ARG 51 CO 0.49 0.43 0.39 0.00 0.02 0.00 0.00 175.30 176.63 1qb5 s ALA 52 N -1.01 -0.97 -0.02 2.13 0.00 -1.26 -5.02 121.76 115.61 1qb5 s ALA 52 Ca 0.11 1.20 -0.08 0.00 0.00 0.00 0.00 51.96 53.19 1qb5 s ALA 52 Cb -0.10 -0.71 -0.30 0.00 0.00 0.00 0.00 23.12 22.01 1qb5 s ALA 52 CO 0.04 -0.20 0.77 0.87 0.00 0.00 0.00 175.76 177.24 1qb5 h LYS 53 N 6.00 0.36 -6.16 0.00 6.56 -1.97 -3.36 116.57 118.00 1qb5 h LYS 53 Ca -0.30 -0.61 -0.52 0.00 -1.06 0.00 0.00 60.65 58.16 1qb5 h LYS 53 Cb 1.18 0.23 -0.06 0.00 -0.57 0.00 0.00 32.23 33.01 1qb5 h LYS 53 CO 0.27 1.26 -0.52 0.16 -2.06 0.00 0.00 179.45 178.56 1qb5 s ASP 54 N -7.21 5.03 0.40 0.86 1.47 -1.26 -4.79 116.67 111.17 1qb5 s ASP 54 Ca -0.13 -0.57 -0.26 0.00 1.18 0.00 0.00 52.55 52.78 1qb5 s ASP 54 Cb 0.06 -0.95 -0.09 0.00 -0.34 0.00 0.00 42.92 41.60 1qb5 s ASP 54 CO 0.86 -0.23 1.26 -0.47 0.68 0.00 0.00 175.17 177.27 1qb5 s TYR 55 N -2.32 2.90 -2.53 2.11 5.04 -1.26 -1.55 117.35 119.75 1qb5 s TYR 55 Ca 0.37 1.46 0.23 0.00 -2.44 0.00 0.00 57.07 56.69 1qb5 s TYR 55 Cb -0.05 -3.58 0.49 0.00 0.35 0.00 0.00 41.96 39.17 1qb5 s TYR 55 CO 0.24 -1.83 1.43 -0.35 -1.34 0.00 0.00 175.55 173.70 1qb5 n PRO 56 N 0.12 2.26 0.23 4.97 -0.04 -1.26 -4.87 135.00 136.40 1qb5 n PRO 56 Ca 0.04 -1.88 0.15 0.00 -0.04 0.00 0.00 63.50 61.77 1qb5 n PRO 56 Cb 0.44 -1.48 0.51 0.00 -0.04 0.00 0.00 33.50 32.93 1qb5 n PRO 56 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1qb5 h ASP 57 N 3.88 0.00 0.28 3.54 3.32 -1.80 -2.11 116.42 123.54 1qb5 h ASP 57 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1qb5 h ASP 57 Cb 0.85 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 1qb5 h ASP 57 CO 0.00 0.00 -0.25 -0.55 -1.72 0.00 0.00 179.24 176.72 1qb5 h ASN 58 N 0.00 0.00 0.16 6.45 -1.07 -1.43 0.85 115.58 120.53 1qb5 h ASN 58 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.36 1qb5 h ASN 58 Cb 0.63 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.88 1qb5 h ASN 58 CO 0.00 0.25 -0.08 0.58 0.07 0.00 0.00 177.43 178.25 1qb5 h VAL 59 N 0.00 0.98 -0.46 6.14 2.07 -1.66 -1.90 116.25 121.41 1qb5 h VAL 59 Ca -0.00 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 1qb5 h VAL 59 Cb 0.46 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1qb5 h VAL 59 CO 0.03 0.18 0.09 0.24 0.02 0.00 0.00 177.57 178.14 1qb5 h MET 60 N -0.61 0.70 -0.05 1.57 2.86 -1.47 -1.52 114.93 116.41 1qb5 h MET 60 Ca -0.02 -0.14 -0.16 0.00 -2.06 0.00 0.00 59.70 57.32 1qb5 h MET 60 Cb 0.46 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1qb5 h MET 60 CO 0.04 0.65 -0.67 1.79 1.06 0.00 0.00 176.91 179.77 1qb5 h THR 61 N 0.68 1.41 -0.81 2.22 1.35 -0.86 -1.24 112.91 115.66 1qb5 h THR 61 Ca 0.15 -2.14 -0.02 0.00 -0.55 0.00 0.00 66.41 63.85 1qb5 h THR 61 Cb 0.28 2.12 -0.04 0.00 -1.73 0.00 0.00 68.15 68.78 1qb5 h THR 61 CO 0.00 0.63 0.42 0.00 -0.25 0.00 0.00 175.52 176.32 1qb5 h ALA 62 N 1.13 1.22 -0.09 6.62 0.00 -0.77 -2.17 119.26 125.20 1qb5 h ALA 62 Ca -0.02 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1qb5 h ALA 62 Cb 1.21 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1qb5 h ALA 62 CO 0.10 0.62 -0.45 0.93 0.00 0.00 0.00 179.25 180.45 1qb5 h GLU 63 N 1.14 0.20 -0.72 0.00 4.39 -0.90 -2.33 114.58 116.37 1qb5 h GLU 63 Ca 0.28 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1qb5 h GLU 63 Cb 0.06 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1qb5 h GLU 63 CO -0.04 0.62 0.41 0.52 -1.16 0.00 0.00 179.01 179.35 1qb5 h MET 64 N 0.17 0.99 -0.68 2.33 2.86 -0.63 0.61 114.93 120.58 1qb5 h MET 64 Ca 0.01 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 1qb5 h MET 64 Cb 0.87 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.30 1qb5 h MET 64 CO 0.07 0.73 0.24 0.00 1.06 0.00 0.00 176.91 179.01 1qb5 h ARG 65 N 0.99 1.03 -0.53 1.72 3.08 -1.16 -0.21 114.38 119.29 1qb5 h ARG 65 Ca 0.25 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1qb5 h ARG 65 Cb 0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1qb5 h ARG 65 CO -0.04 0.88 0.25 0.87 -1.07 0.00 0.00 179.97 180.86 1qb5 h LYS 66 N 0.98 0.77 -0.48 0.04 1.57 -1.03 -0.79 116.57 117.63 1qb5 h LYS 66 Ca 0.22 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1qb5 h LYS 66 Cb 0.26 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1qb5 h LYS 66 CO -0.01 0.64 0.22 0.82 -0.57 0.00 0.00 179.45 180.55 1qb5 h ILE 67 N 0.72 1.19 -0.42 1.86 2.04 -0.63 -1.24 117.51 121.03 1qb5 h ILE 67 Ca 0.18 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1qb5 h ILE 67 Cb 0.13 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1qb5 h ILE 67 CO -0.02 0.22 0.23 0.00 0.00 0.00 0.00 178.15 178.58 1qb5 h ALA 68 N 1.06 0.54 -0.58 1.87 0.00 -0.78 -0.94 119.26 120.43 1qb5 h ALA 68 Ca 0.16 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1qb5 h ALA 68 Cb 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1qb5 h ALA 68 CO -0.02 0.06 -0.03 1.98 0.00 0.00 0.00 179.25 181.23 1qb5 h MET 69 N 0.54 1.05 -0.94 0.00 1.85 -1.05 -2.13 114.93 114.25 1qb5 h MET 69 Ca 0.15 -0.35 -0.00 0.00 -0.61 0.00 0.00 59.70 58.88 1qb5 h MET 69 Cb 0.05 -0.09 -0.05 0.00 0.43 0.00 0.00 31.60 31.94 1qb5 h MET 69 CO -0.02 1.05 0.57 0.00 -0.40 0.00 0.00 176.91 178.10 1qb5 h ALA 70 N 0.96 1.19 -0.27 0.39 0.00 -0.97 -0.49 119.26 120.08 1qb5 h ALA 70 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1qb5 h ALA 70 Cb 0.60 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1qb5 h ALA 70 CO 0.04 0.64 0.17 0.00 0.00 0.00 0.00 179.25 180.10 1qb5 h ALA 71 N 1.31 0.34 -0.65 0.00 0.00 -0.95 0.79 119.26 120.10 1qb5 h ALA 71 Ca 0.34 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1qb5 h ALA 71 Cb -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1qb5 h ALA 71 CO -0.06 -0.17 0.34 0.28 0.00 0.00 0.00 179.25 179.64 1qb5 h VAL 72 N 0.35 1.21 -0.09 0.00 2.07 -1.00 0.18 116.25 118.98 1qb5 h VAL 72 Ca 0.10 -0.56 -0.17 0.00 0.82 0.00 0.00 66.70 66.90 1qb5 h VAL 72 Cb -0.01 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1qb5 h VAL 72 CO -0.02 0.24 -0.66 -0.07 0.02 0.00 0.00 177.57 177.08 1qb5 h LEU 73 N 0.89 0.41 0.00 2.57 3.38 -0.79 -3.32 115.31 118.45 1qb5 h LEU 73 Ca 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1qb5 h LEU 73 Cb 0.07 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1qb5 h LEU 73 CO -0.03 0.96 -1.33 -1.54 0.09 0.00 0.00 178.44 176.58 1qb5 n SER 74 N -3.86 0.79 0.00 -0.43 3.41 0.24 -4.98 113.62 108.79 1qb5 n SER 74 Ca -0.03 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.09 1qb5 n SER 74 Cb 0.66 1.41 0.00 0.00 -0.26 0.00 0.00 64.21 66.02 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 1.43 0.83 3.77 5.00 0.00 0.62 -5.02 105.19 111.81 1qb5 n GLY 75 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.17 4.29 0.48 1.61 -1.94 -1.21 -4.92 119.30 117.45 1qb5 s MET 76 Ca 0.00 2.07 -0.05 0.00 -1.71 0.00 0.00 55.69 56.00 1qb5 s MET 76 Cb 0.00 -2.97 -0.03 0.00 2.01 0.00 0.00 34.83 33.84 1qb5 s MET 76 CO 0.00 -0.19 0.77 1.03 -0.01 0.00 0.00 175.02 176.62 1qb5 s ARG 77 N -1.90 3.47 0.14 2.03 0.52 -1.25 -4.64 118.95 117.32 1qb5 s ARG 77 Ca 0.51 0.11 0.07 0.00 -0.52 0.00 0.00 55.73 55.90 1qb5 s ARG 77 Cb -0.37 -2.40 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 1qb5 s ARG 77 CO 0.48 -0.22 -0.15 0.14 0.02 0.00 0.00 175.30 175.57 1qb5 s VAL 78 N -2.72 1.49 -0.04 3.52 -7.23 -0.64 -1.53 120.40 113.24 1qb5 s VAL 78 Ca 0.47 -1.81 0.04 0.00 -1.81 0.00 0.00 61.98 58.88 1qb5 s VAL 78 Cb -0.10 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 1qb5 s VAL 78 CO 0.44 -0.40 -0.17 0.20 -0.31 0.00 0.00 175.10 174.86 1qb5 s ASN 79 N -2.57 3.83 0.07 4.85 0.01 0.03 -1.44 114.94 119.72 1qb5 s ASN 79 Ca 0.12 -0.25 0.06 0.00 -0.71 0.00 0.00 52.86 52.07 1qb5 s ASN 79 Cb -0.05 -0.75 -0.03 0.00 0.41 0.00 0.00 41.25 40.83 1qb5 s ASN 79 CO 0.04 0.34 -0.16 -0.04 -1.51 0.00 0.00 177.10 175.77 1qb5 s MET 80 N -0.70 0.91 -0.40 -0.60 -1.94 0.32 -0.91 119.30 115.99 1qb5 s MET 80 Ca 0.11 -0.98 -0.06 0.00 -1.71 0.00 0.00 55.69 53.05 1qb5 s MET 80 Cb -0.11 -0.98 0.08 0.00 2.01 0.00 0.00 34.83 35.84 1qb5 s MET 80 CO 0.00 0.22 0.20 0.00 -0.01 0.00 0.00 175.02 175.44 1qb5 s ALA 82 N 1.30 1.39 -0.15 0.00 0.00 -0.29 -0.17 121.76 123.85 1qb5 s ALA 82 Ca 0.03 -0.70 -0.21 0.00 0.00 0.00 0.00 51.96 51.08 1qb5 s ALA 82 Cb -0.22 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1qb5 s ALA 82 CO -0.01 0.33 0.60 0.45 0.00 0.00 0.00 175.76 177.13 1qb5 s SER 83 N -0.32 6.75 0.00 0.00 0.15 -0.11 -0.35 113.70 119.82 1qb5 s SER 83 Ca 0.05 0.90 0.31 0.00 0.70 0.00 0.00 55.95 57.91 1qb5 s SER 83 Cb -0.07 -2.34 1.80 0.00 -1.71 0.00 0.00 66.02 63.69 1qb5 s SER 83 CO -0.00 -0.16 2.17 -0.81 1.20 0.00 0.00 173.24 175.64 1qb5 n PRO 84 N 4.37 0.85 -0.24 5.44 -0.04 -1.26 -2.66 135.00 141.47 1qb5 n PRO 84 Ca -0.03 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.41 1qb5 n PRO 84 Cb 0.51 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.56 1qb5 n PRO 84 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qb5 h ALA 85 N 3.84 0.92 -1.53 0.55 0.00 -1.95 -3.44 119.26 117.65 1qb5 h ALA 85 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.48 1qb5 h ALA 85 Cb 0.07 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1qb5 h ALA 85 CO 0.00 0.11 -0.29 0.45 0.00 0.00 0.00 179.25 179.51 1qb5 s SER 86 N -5.65 5.63 -0.19 0.00 0.15 -1.26 -5.09 113.70 107.30 1qb5 s SER 86 Ca -0.13 -0.42 -0.02 0.00 0.70 0.00 0.00 55.95 56.09 1qb5 s SER 86 Cb 0.16 -0.76 0.05 0.00 -1.71 0.00 0.00 66.02 63.76 1qb5 s SER 86 CO 0.76 -0.67 0.01 -0.55 1.20 0.00 0.00 173.24 173.99 1qb5 s SER 87 N -4.28 2.94 0.80 5.45 0.15 -1.26 -3.29 113.70 114.21 1qb5 s SER 87 Ca 0.52 -0.80 -0.11 0.00 0.70 0.00 0.00 55.95 56.26 1qb5 s SER 87 Cb -0.09 -0.71 0.07 0.00 -1.71 0.00 0.00 66.02 63.58 1qb5 s SER 87 CO 0.32 -0.27 1.09 -2.84 1.20 0.00 0.00 173.24 172.74 1qb5 s PRO 88 N 1.77 2.05 0.60 5.44 0.02 -1.26 -5.11 135.00 138.50 1qb5 s PRO 88 Ca -0.01 0.99 -0.19 0.00 0.02 0.00 0.00 61.00 61.81 1qb5 s PRO 88 Cb -0.17 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.43 1qb5 s PRO 88 CO -0.07 -1.74 1.24 -0.80 -0.33 0.00 0.00 177.00 175.30 1qb5 s ASN 89 N -3.51 5.07 -0.17 2.53 0.01 -1.21 -4.54 114.94 113.13 1qb5 s ASN 89 Ca 0.61 2.49 -0.07 0.00 -0.71 0.00 0.00 52.86 55.18 1qb5 s ASN 89 Cb -0.17 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.85 1qb5 s ASN 89 CO 0.56 -1.68 0.06 -0.69 -1.51 0.00 0.00 177.10 173.84 1qb5 s VAL 90 N -1.51 4.79 -0.20 1.60 1.01 -1.09 -0.62 120.40 124.39 1qb5 s VAL 90 Ca 0.78 -0.04 -0.27 0.00 0.00 0.00 0.00 61.98 62.45 1qb5 s VAL 90 Cb -0.33 -3.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.90 1qb5 s VAL 90 CO 0.36 0.49 0.93 -0.63 0.00 0.00 0.00 175.10 176.25 1qb5 s ILE 91 N 0.15 4.79 -0.05 2.22 1.01 0.12 -0.93 121.20 128.50 1qb5 s ILE 91 Ca 0.05 1.81 0.20 0.00 0.00 0.00 0.00 60.65 62.71 1qb5 s ILE 91 Cb -0.12 -4.22 -0.30 0.00 0.01 0.00 0.00 42.46 37.83 1qb5 s ILE 91 CO 0.01 -0.07 0.39 0.79 0.00 0.00 0.00 174.94 176.05 1qb5 n TRP 92 N 5.75 0.00 -3.66 3.97 8.01 0.76 -3.57 117.44 128.70 1qb5 n TRP 92 Ca 0.08 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 56.12 1qb5 n TRP 92 Cb 0.48 -0.53 -0.08 0.00 -2.01 0.00 0.00 31.31 29.17 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 -3.26 -1.25 0.00 6.99 0.00 -1.04 -4.99 121.76 118.22 1qb5 s ALA 93 Ca -0.08 0.90 -0.07 0.00 0.00 0.00 0.00 51.96 52.71 1qb5 s ALA 93 Cb 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1qb5 s ALA 93 CO 0.82 -0.30 0.14 -1.50 0.00 0.00 0.00 175.76 174.93 1qb5 s ILE 94 N -0.99 0.08 -0.10 0.00 2.07 -1.26 -1.06 121.20 119.93 1qb5 s ILE 94 Ca -0.10 -0.68 -0.02 0.00 -1.41 0.00 0.00 60.65 58.44 1qb5 s ILE 94 Cb -0.03 -0.44 0.04 0.00 0.13 0.00 0.00 42.46 42.16 1qb5 s ILE 94 CO 0.06 -0.37 0.01 -0.70 -1.91 0.00 0.00 174.94 172.03 1qb5 s GLU 95 N -1.37 0.60 -0.04 3.50 2.12 -0.09 -4.98 118.70 118.43 1qb5 s GLU 95 Ca -0.15 -0.00 -0.23 0.00 0.36 0.00 0.00 54.97 54.95 1qb5 s GLU 95 Cb -0.07 -1.23 -0.04 0.00 0.26 0.00 0.00 34.13 33.05 1qb5 s GLU 95 CO 0.02 -0.38 0.68 -1.17 -0.54 0.00 0.00 175.26 173.87 1qb5 s LEU 96 N 1.96 4.35 -0.02 2.70 2.96 -1.26 -0.79 118.68 128.58 1qb5 s LEU 96 Ca 0.04 1.20 0.08 0.00 -0.22 0.00 0.00 54.13 55.23 1qb5 s LEU 96 Cb -0.13 -3.06 -0.02 0.00 0.50 0.00 0.00 46.19 43.48 1qb5 s LEU 96 CO -0.06 -0.06 -0.25 -1.83 -1.32 0.00 0.00 176.35 172.83 1qb5 s GLU 97 N 0.51 2.13 -0.23 1.98 -1.05 -0.58 -5.00 118.70 116.46 1qb5 s GLU 97 Ca 0.36 -0.92 -0.15 0.00 -0.15 0.00 0.00 54.97 54.11 1qb5 s GLU 97 Cb -0.18 -2.07 -0.09 0.00 -0.44 0.00 0.00 34.13 31.35 1qb5 s GLU 97 CO 0.18 0.56 -0.35 0.00 0.95 0.00 0.00 175.26 176.61 1qb5 n ALA 98 N 2.40 1.11 0.78 -0.84 0.00 -1.26 -3.96 120.51 118.73 1qb5 n ALA 98 Ca -0.16 -0.96 0.06 0.00 0.00 0.00 0.00 53.44 52.38 1qb5 n ALA 98 Cb 0.51 0.10 0.37 0.00 0.00 0.00 0.00 19.45 20.43 1qb5 n ALA 98 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59