#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 3.70 0.87 4.61 0.00 -1.26 -4.94 121.76 124.74 1qb5 s ALA 2 Ca 0.00 1.54 -0.10 0.00 0.00 0.00 0.00 51.96 53.40 1qb5 s ALA 2 Cb 0.00 -3.63 0.12 0.00 0.00 0.00 0.00 23.12 19.61 1qb5 s ALA 2 CO 0.00 -0.97 1.14 -1.54 0.00 0.00 0.00 175.76 174.39 1qb5 s SER 3 N 0.34 3.31 0.27 0.00 1.04 -1.26 -4.77 113.70 112.63 1qb5 s SER 3 Ca 0.61 2.13 -0.03 0.00 0.48 0.00 0.00 55.95 59.14 1qb5 s SER 3 Cb -0.47 -2.56 0.39 0.00 0.10 0.00 0.00 66.02 63.48 1qb5 s SER 3 CO 0.51 -2.84 1.91 -0.61 0.98 0.00 0.00 173.24 173.18 1qb5 h GLN 4 N -1.63 1.17 -0.68 4.02 5.75 -1.99 -1.58 115.11 120.18 1qb5 h GLN 4 Ca -0.43 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.01 1qb5 h GLN 4 Cb 1.26 -0.26 -0.04 0.00 1.07 0.00 0.00 27.48 29.51 1qb5 h GLN 4 CO 0.44 0.78 0.43 0.35 -2.65 0.00 0.00 178.83 178.18 1qb5 h PHE 5 N 1.21 0.82 -0.18 3.99 3.57 -1.99 -0.66 116.94 123.70 1qb5 h PHE 5 Ca 0.40 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.80 1qb5 h PHE 5 Cb 0.05 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.52 1qb5 h PHE 5 CO -0.00 0.49 -0.34 0.35 -2.23 0.00 0.00 178.31 176.58 1qb5 h PHE 6 N 0.87 0.69 -0.00 0.41 3.57 -1.82 -1.50 116.94 119.16 1qb5 h PHE 6 Ca 0.26 -0.25 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1qb5 h PHE 6 Cb -0.04 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1qb5 h PHE 6 CO -0.04 0.98 -0.06 0.87 -2.23 0.00 0.00 178.31 177.83 1qb5 h LYS 7 N 0.20 -0.10 -0.89 1.11 1.57 -1.15 -1.65 116.57 115.66 1qb5 h LYS 7 Ca 0.01 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1qb5 h LYS 7 Cb 0.94 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.23 1qb5 h LYS 7 CO 0.08 -0.07 0.59 -0.44 -0.57 0.00 0.00 179.45 179.03 1qb5 h ASP 8 N -0.11 1.01 0.65 0.86 3.32 -1.01 0.30 116.42 121.44 1qb5 h ASP 8 Ca 0.03 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1qb5 h ASP 8 Cb 0.14 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1qb5 h ASP 8 CO -0.07 0.73 -0.67 0.78 -1.72 0.00 0.00 179.24 178.28 1qb5 h ASN 9 N 1.19 0.03 0.80 6.45 2.35 -1.06 -2.18 115.58 123.16 1qb5 h ASN 9 Ca 0.33 -0.02 -0.23 0.00 -0.55 0.00 0.00 56.30 55.83 1qb5 h ASN 9 Cb -0.12 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1qb5 h ASN 9 CO -0.08 0.69 -1.08 0.00 -1.65 0.00 0.00 177.43 175.32 1qb5 h ASN 11 N 0.04 0.06 -0.42 0.00 2.35 -0.23 -0.78 115.58 116.60 1qb5 h ASN 11 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1qb5 h ASN 11 Cb 1.82 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 40.17 1qb5 h ASN 11 CO 0.16 0.03 0.00 0.54 -1.65 0.00 0.00 177.43 176.51 1qb5 n ARG 12 N -4.43 1.97 -3.59 0.81 1.74 -0.84 -4.90 116.66 107.43 1qb5 n ARG 12 Ca 0.07 -1.50 -0.22 0.00 -0.77 0.00 0.00 57.85 55.42 1qb5 n ARG 12 Cb 0.44 -1.33 -0.02 0.00 -1.02 0.00 0.00 32.46 30.54 1qb5 n ARG 12 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1qb5 n THR 13 N 0.72 0.00 -0.48 0.55 -2.24 -0.30 -5.04 114.28 107.49 1qb5 n THR 13 Ca 0.14 -1.77 0.10 0.00 -2.27 0.00 0.00 64.05 60.25 1qb5 n THR 13 Cb 0.35 0.05 0.32 0.00 -2.10 0.00 0.00 70.33 68.95 1qb5 n THR 13 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1qb5 n THR 14 N -1.33 1.40 -2.04 4.28 5.66 -1.26 -5.00 114.28 115.99 1qb5 n THR 14 Ca -0.07 -1.12 -0.00 0.00 -3.05 0.00 0.00 64.05 59.81 1qb5 n THR 14 Cb 0.49 0.32 0.00 0.00 -1.55 0.00 0.00 70.33 69.60 1qb5 n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qb5 n ALA 15 N 1.22 -0.00 -2.35 1.79 0.00 -1.26 -4.89 120.51 115.01 1qb5 n ALA 15 Ca 0.23 -0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.35 1qb5 n ALA 15 Cb 0.72 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.02 1qb5 n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qb5 s SER 16 N -1.06 2.96 -0.22 0.00 0.15 0.29 -4.91 113.70 110.91 1qb5 s SER 16 Ca 0.01 -0.51 -0.22 0.00 0.70 0.00 0.00 55.95 55.93 1qb5 s SER 16 Cb -0.00 -0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 63.99 1qb5 s SER 16 CO 0.01 0.28 0.72 -0.22 1.20 0.00 0.00 173.24 175.22 1qb5 s LEU 17 N -0.87 4.11 -0.24 3.45 2.96 -1.26 -1.01 118.68 125.83 1qb5 s LEU 17 Ca 0.10 0.92 0.01 0.00 -0.22 0.00 0.00 54.13 54.94 1qb5 s LEU 17 Cb -0.10 -3.02 0.04 0.00 0.50 0.00 0.00 46.19 43.61 1qb5 s LEU 17 CO 0.00 -0.38 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.85 1qb5 s VAL 18 N 2.33 2.40 0.10 1.68 1.01 0.63 -4.98 120.40 123.57 1qb5 s VAL 18 Ca 0.31 -1.25 0.05 0.00 0.00 0.00 0.00 61.98 61.09 1qb5 s VAL 18 Cb -0.16 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1qb5 s VAL 18 CO 0.09 0.19 0.03 -1.61 0.00 0.00 0.00 175.10 173.80 1qb5 s GLU 19 N 1.23 2.64 -1.35 2.72 2.02 -1.26 -0.02 118.70 124.68 1qb5 s GLU 19 Ca -0.02 -0.83 -0.06 0.00 0.02 0.00 0.00 54.97 54.08 1qb5 s GLU 19 Cb -0.17 -2.58 0.01 0.00 0.10 0.00 0.00 34.13 31.49 1qb5 s GLU 19 CO -0.07 0.54 0.76 0.41 0.02 0.00 0.00 175.26 176.92 1qb5 n GLY 20 N 0.41 -0.41 3.72 -1.39 0.00 -1.21 -4.97 105.19 101.35 1qb5 n GLY 20 Ca -0.10 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.19 4.67 -0.29 1.61 1.01 -0.71 -4.85 120.40 118.64 1qb5 s VAL 21 Ca 0.38 2.05 -0.13 0.00 0.00 0.00 0.00 61.98 64.28 1qb5 s VAL 21 Cb -0.17 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 1qb5 s VAL 21 CO 0.47 0.25 0.26 -1.61 0.00 0.00 0.00 175.10 174.47 1qb5 s GLU 22 N 0.43 3.90 -0.20 2.72 8.01 -1.26 -2.01 118.70 130.28 1qb5 s GLU 22 Ca 0.49 -0.25 -0.13 0.00 0.01 0.00 0.00 54.97 55.09 1qb5 s GLU 22 Cb -0.22 -3.68 -0.05 0.00 -4.31 0.00 0.00 34.13 25.87 1qb5 s GLU 22 CO 0.29 -0.26 0.26 -0.51 0.01 0.00 0.00 175.26 175.04 1qb5 s LEU 23 N 1.87 4.19 -0.00 1.80 1.43 -1.26 -1.51 118.68 125.20 1qb5 s LEU 23 Ca 0.10 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 1qb5 s LEU 23 Cb -0.16 -2.29 -0.01 0.00 0.03 0.00 0.00 46.19 43.76 1qb5 s LEU 23 CO 0.11 0.06 0.02 1.07 0.23 0.00 0.00 176.35 177.84 1qb5 n THR 24 N 3.92 0.00 -4.00 5.49 5.66 -0.08 -4.11 114.28 121.16 1qb5 n THR 24 Ca -0.12 -0.47 -0.12 0.00 -3.05 0.00 0.00 64.05 60.28 1qb5 n THR 24 Cb 0.52 0.98 -0.13 0.00 -1.55 0.00 0.00 70.33 70.15 1qb5 n THR 24 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1qb5 s LYS 25 N -1.08 0.28 -0.08 1.09 1.02 -1.07 -4.99 119.74 114.91 1qb5 s LYS 25 Ca 0.00 -0.38 0.01 0.00 0.02 0.00 0.00 55.97 55.62 1qb5 s LYS 25 Cb 0.00 -0.10 0.02 0.00 -0.52 0.00 0.00 37.83 37.24 1qb5 s LYS 25 CO 0.02 0.01 -0.10 -0.47 -0.92 0.00 0.00 175.35 173.90 1qb5 s TYR 26 N -0.77 1.36 -0.04 3.18 5.04 -1.26 -1.86 117.35 123.00 1qb5 s TYR 26 Ca -0.07 -0.55 0.04 0.00 -2.44 0.00 0.00 57.07 54.06 1qb5 s TYR 26 Cb -0.06 -1.06 -0.00 0.00 0.35 0.00 0.00 41.96 41.19 1qb5 s TYR 26 CO -0.00 -0.34 -0.17 0.42 -1.34 0.00 0.00 175.55 174.12 1qb5 s ILE 27 N 1.05 1.43 -0.07 3.14 1.01 -0.19 -5.01 121.20 122.56 1qb5 s ILE 27 Ca -0.08 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 59.90 1qb5 s ILE 27 Cb -0.15 -1.22 -0.00 0.00 0.01 0.00 0.00 42.46 41.10 1qb5 s ILE 27 CO -0.01 0.41 -0.21 -0.55 0.00 0.00 0.00 174.94 174.59 1qb5 s SER 28 N 0.03 2.66 -0.02 3.58 0.15 -1.26 -1.64 113.70 117.19 1qb5 s SER 28 Ca -0.04 -0.46 -0.00 0.00 0.70 0.00 0.00 55.95 56.15 1qb5 s SER 28 Cb -0.11 -1.02 0.03 0.00 -1.71 0.00 0.00 66.02 63.20 1qb5 s SER 28 CO 0.02 0.15 0.03 -0.62 1.20 0.00 0.00 173.24 174.03 1qb5 s ASP 29 N 0.23 0.06 0.00 5.45 -1.08 -0.72 -5.00 116.67 115.62 1qb5 s ASP 29 Ca -0.12 0.04 0.05 0.00 -0.52 0.00 0.00 52.55 52.00 1qb5 s ASP 29 Cb -0.15 -0.06 0.12 0.00 -1.46 0.00 0.00 42.92 41.36 1qb5 s ASP 29 CO 0.06 -0.13 1.03 2.30 0.52 0.00 0.00 175.17 178.94 1qb5 n ILE 30 N 4.17 0.80 -2.19 4.11 -5.35 -1.26 -1.00 119.36 118.64 1qb5 n ILE 30 Ca -0.28 -0.90 -0.37 0.00 -0.27 0.00 0.00 62.75 60.94 1qb5 n ILE 30 Cb 0.50 0.62 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 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 -0.88 5.91 0.16 7.28 0.02 -1.26 -4.77 114.94 121.40 1qb5 s ASN 31 Ca 0.10 2.34 -0.30 0.00 -1.02 0.00 0.00 52.86 53.97 1qb5 s ASN 31 Cb 0.05 -2.60 -0.05 0.00 0.02 0.00 0.00 41.25 38.67 1qb5 s ASN 31 CO 0.07 -1.10 1.54 -1.13 0.02 0.00 0.00 177.10 176.51 1qb5 h ASN 32 N 1.74 -2.12 -0.11 -1.22 -0.00 -1.98 0.62 115.58 112.51 1qb5 h ASN 32 Ca -0.50 0.33 0.00 0.00 -0.00 0.00 0.00 56.30 56.13 1qb5 h ASN 32 Cb 1.26 0.94 0.00 0.00 -0.00 0.00 0.00 38.32 40.52 1qb5 h ASN 32 CO 0.59 -0.24 0.00 0.59 -0.00 0.00 0.00 177.43 178.37 1qb5 n ASN 33 N -5.27 2.34 -0.32 1.15 4.13 -1.26 -4.16 115.26 111.89 1qb5 n ASN 33 Ca 0.02 -1.66 0.03 0.00 1.68 0.00 0.00 54.58 54.66 1qb5 n ASN 33 Cb 0.27 -0.06 0.06 0.00 -1.54 0.00 0.00 39.78 38.50 1qb5 n ASN 33 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1qb5 n THR 34 N 0.75 0.50 -1.67 3.41 -2.24 -1.05 -5.05 114.28 108.92 1qb5 n THR 34 Ca 0.09 -0.75 -0.45 0.00 -2.27 0.00 0.00 64.05 60.68 1qb5 n THR 34 Cb 0.36 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 1qb5 n THR 34 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1qb5 n ASP 35 N 0.23 2.76 0.00 3.42 5.75 0.19 -4.79 116.55 124.10 1qb5 n ASP 35 Ca 0.05 1.14 0.00 0.00 -0.01 0.00 0.00 54.79 55.97 1qb5 n ASP 35 Cb 0.26 -1.43 0.00 0.00 -1.03 0.00 0.00 41.12 38.92 1qb5 n ASP 35 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qb5 n GLY 36 N 2.19 0.12 3.57 6.12 0.00 -0.17 -4.98 105.19 112.05 1qb5 n GLY 36 Ca 0.12 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.55 3.74 0.06 1.61 -1.94 -1.26 -1.75 119.30 118.21 1qb5 s MET 37 Ca 0.00 -0.44 0.03 0.00 -1.71 0.00 0.00 55.69 53.57 1qb5 s MET 37 Cb 0.00 -3.02 -0.03 0.00 2.01 0.00 0.00 34.83 33.79 1qb5 s MET 37 CO 0.00 0.29 -0.08 0.71 -0.01 0.00 0.00 175.02 175.93 1qb5 s TYR 38 N 0.25 0.81 0.12 -0.03 1.51 -0.65 -0.81 117.35 118.55 1qb5 s TYR 38 Ca 0.00 -0.60 0.09 0.00 -1.01 0.00 0.00 57.07 55.55 1qb5 s TYR 38 Cb -0.13 -0.47 -0.04 0.00 -0.11 0.00 0.00 41.96 41.21 1qb5 s TYR 38 CO 0.02 -0.07 -0.23 0.14 -1.11 0.00 0.00 175.55 174.29 1qb5 s VAL 39 N -1.96 1.91 -0.06 0.71 -7.23 -0.25 -1.02 120.40 112.50 1qb5 s VAL 39 Ca -0.03 -1.65 0.04 0.00 -1.81 0.00 0.00 61.98 58.54 1qb5 s VAL 39 Cb -0.06 -1.73 -0.00 0.00 0.56 0.00 0.00 36.38 35.15 1qb5 s VAL 39 CO -0.01 -0.03 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.88 1qb5 s VAL 40 N -1.19 1.60 0.64 1.32 1.01 -0.78 -1.35 120.40 121.65 1qb5 s VAL 40 Ca 0.10 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 1qb5 s VAL 40 Cb -0.10 -1.38 0.03 0.00 0.00 0.00 0.00 36.38 34.93 1qb5 s VAL 40 CO 0.05 0.46 0.95 -0.94 0.00 0.00 0.00 175.10 175.61 1qb5 s SER 41 N 0.16 5.27 0.62 3.32 1.04 -0.12 -0.90 113.70 123.10 1qb5 s SER 41 Ca -0.08 0.60 0.41 0.00 0.48 0.00 0.00 55.95 57.36 1qb5 s SER 41 Cb -0.14 -1.45 2.25 0.00 0.10 0.00 0.00 66.02 66.78 1qb5 s SER 41 CO 0.04 -1.28 2.27 0.77 0.98 0.00 0.00 173.24 176.02 1qb5 h SER 42 N -0.34 0.00 -0.32 7.02 4.64 -1.62 0.13 113.55 123.06 1qb5 h SER 42 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 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 0.60 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.91 1qb5 n THR 43 N -2.96 1.85 -0.42 2.95 -2.24 -1.26 -4.99 114.28 107.21 1qb5 n THR 43 Ca -0.03 -1.54 0.00 0.00 -2.27 0.00 0.00 64.05 60.21 1qb5 n THR 43 Cb 0.07 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 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 -0.06 0.75 3.80 3.38 0.00 0.03 -5.05 105.19 108.04 1qb5 n GLY 44 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.70 2.53 -0.08 -0.02 0.00 -1.26 -4.77 107.32 102.02 1qb5 s GLY 45 Ca 0.00 0.61 0.05 0.00 0.00 0.00 0.00 44.72 45.37 1qb5 s GLY 45 CO 0.00 0.94 -0.23 0.14 0.00 0.00 0.00 173.10 173.95 1qb5 s VAL 46 N -1.96 1.91 0.03 1.40 1.01 -1.26 -0.94 120.40 120.60 1qb5 s VAL 46 Ca 0.66 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.74 1qb5 s VAL 46 Cb -0.17 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1qb5 s VAL 46 CO 0.20 0.53 -0.15 0.26 0.00 0.00 0.00 175.10 175.94 1qb5 s TRP 47 N 0.19 1.34 -0.04 5.22 0.51 -0.46 -2.41 118.94 123.28 1qb5 s TRP 47 Ca -0.12 -0.34 -0.16 0.00 -2.12 0.00 0.00 56.10 53.36 1qb5 s TRP 47 Cb -0.16 -0.80 -0.05 0.00 -0.81 0.00 0.00 33.47 31.64 1qb5 s TRP 47 CO 0.06 0.04 0.43 0.50 -0.51 0.00 0.00 176.95 177.47 1qb5 s ARG 48 N -1.02 4.09 -0.07 4.98 3.52 0.21 -1.09 118.95 129.58 1qb5 s ARG 48 Ca 0.03 0.42 -0.25 0.00 -0.13 0.00 0.00 55.73 55.81 1qb5 s ARG 48 Cb -0.08 -3.30 -0.03 0.00 -1.56 0.00 0.00 34.95 29.98 1qb5 s ARG 48 CO 0.01 0.50 0.78 0.42 -0.81 0.00 0.00 175.30 176.20 1qb5 s ILE 49 N -0.46 4.98 0.60 4.11 1.01 0.01 -1.45 121.20 130.00 1qb5 s ILE 49 Ca 0.24 1.61 -0.20 0.00 0.00 0.00 0.00 60.65 62.30 1qb5 s ILE 49 Cb -0.16 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 1qb5 s ILE 49 CO 0.12 0.20 1.32 -0.44 0.00 0.00 0.00 174.94 176.14 1qb5 s SER 50 N 0.90 4.94 0.13 3.58 0.01 -1.25 -4.63 113.70 117.38 1qb5 s SER 50 Ca 0.41 2.68 0.06 0.00 1.31 0.00 0.00 55.95 60.41 1qb5 s SER 50 Cb -0.18 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.38 1qb5 s SER 50 CO 0.19 -1.78 -0.14 0.00 0.41 0.00 0.00 173.24 171.92 1qb5 s ARG 51 N -3.15 1.06 -0.20 12.44 1.70 -1.26 -4.81 118.95 124.73 1qb5 s ARG 51 Ca 0.77 -1.29 -0.16 0.00 -0.47 0.00 0.00 55.73 54.58 1qb5 s ARG 51 Cb -0.39 -0.91 0.06 0.00 -0.57 0.00 0.00 34.95 33.14 1qb5 s ARG 51 CO 0.43 0.17 0.52 0.00 -1.08 0.00 0.00 175.30 175.34 1qb5 s ALA 52 N -2.32 -1.31 0.04 7.88 0.00 -1.26 -5.05 121.76 119.74 1qb5 s ALA 52 Ca 0.11 1.61 -0.06 0.00 0.00 0.00 0.00 51.96 53.62 1qb5 s ALA 52 Cb -0.04 -0.94 -0.29 0.00 0.00 0.00 0.00 23.12 21.84 1qb5 s ALA 52 CO 0.03 -0.27 1.00 -0.22 0.00 0.00 0.00 175.76 176.31 1qb5 h LYS 53 N 5.93 0.31 -5.92 0.00 1.63 -1.96 -3.35 116.57 113.22 1qb5 h LYS 53 Ca -0.30 -0.53 -0.62 0.00 -0.85 0.00 0.00 60.65 58.34 1qb5 h LYS 53 Cb 1.18 0.20 -0.05 0.00 -0.60 0.00 0.00 32.23 32.97 1qb5 h LYS 53 CO 0.20 1.22 -0.43 -0.51 -3.45 0.00 0.00 179.45 176.48 1qb5 s ASP 54 N -7.17 6.42 0.36 4.20 1.01 -1.26 -4.73 116.67 115.50 1qb5 s ASP 54 Ca -0.07 0.43 -0.28 0.00 0.71 0.00 0.00 52.55 53.34 1qb5 s ASP 54 Cb 0.06 -2.03 -0.10 0.00 1.01 0.00 0.00 42.92 41.86 1qb5 s ASP 54 CO 0.88 0.21 1.33 -0.47 0.21 0.00 0.00 175.17 177.33 1qb5 s TYR 55 N -1.41 2.91 -2.72 4.23 6.14 -1.26 -1.02 117.35 124.22 1qb5 s TYR 55 Ca 0.31 1.37 0.25 0.00 0.64 0.00 0.00 57.07 59.65 1qb5 s TYR 55 Cb -0.13 -3.73 0.57 0.00 0.42 0.00 0.00 41.96 39.09 1qb5 s TYR 55 CO 0.21 -2.10 1.48 -0.35 0.64 0.00 0.00 175.55 175.42 1qb5 n PRO 56 N 0.57 2.05 0.21 4.97 -0.04 -1.26 -4.86 135.00 136.64 1qb5 n PRO 56 Ca 0.01 -1.53 0.14 0.00 -0.04 0.00 0.00 63.50 62.08 1qb5 n PRO 56 Cb 0.42 -1.47 0.50 0.00 -0.04 0.00 0.00 33.50 32.91 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 3.63 0.00 -0.26 3.54 5.19 -1.72 -1.64 116.42 125.16 1qb5 h ASP 57 Ca 0.00 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.46 1qb5 h ASP 57 Cb 0.77 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 1qb5 h ASP 57 CO 0.00 0.00 0.18 -0.55 -3.12 0.00 0.00 179.24 175.75 1qb5 h ASN 58 N 0.00 0.14 -0.01 6.45 -0.00 -1.21 -0.25 115.58 120.69 1qb5 h ASN 58 Ca 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.27 1qb5 h ASN 58 Cb 0.61 -0.03 0.00 0.00 -0.00 0.00 0.00 38.32 38.90 1qb5 h ASN 58 CO 0.00 0.09 -0.09 0.58 -0.00 0.00 0.00 177.43 178.01 1qb5 h VAL 59 N 0.16 1.54 -0.80 6.14 2.07 -1.58 -2.59 116.25 121.19 1qb5 h VAL 59 Ca 0.12 -1.71 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 1qb5 h VAL 59 Cb 0.27 2.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.65 1qb5 h VAL 59 CO -0.02 0.46 0.42 0.24 0.02 0.00 0.00 177.57 178.69 1qb5 h MET 60 N -0.59 1.13 -0.11 1.57 2.86 -1.42 -1.69 114.93 116.69 1qb5 h MET 60 Ca -0.01 -0.14 -0.15 0.00 -2.06 0.00 0.00 59.70 57.34 1qb5 h MET 60 Cb 0.79 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1qb5 h MET 60 CO 0.02 0.84 -0.58 1.79 1.06 0.00 0.00 176.91 180.04 1qb5 h THR 61 N 1.12 1.36 -0.74 2.22 1.35 -1.11 -0.70 112.91 116.41 1qb5 h THR 61 Ca 0.28 -1.90 0.01 0.00 -0.55 0.00 0.00 66.41 64.24 1qb5 h THR 61 Cb 0.06 1.92 -0.04 0.00 -1.73 0.00 0.00 68.15 68.36 1qb5 h THR 61 CO -0.04 0.57 0.48 0.00 -0.25 0.00 0.00 175.52 176.28 1qb5 h ALA 62 N 1.12 0.93 -0.25 6.62 0.00 -1.03 -1.94 119.26 124.70 1qb5 h ALA 62 Ca -0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1qb5 h ALA 62 Cb 1.10 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1qb5 h ALA 62 CO 0.10 0.36 -0.11 0.93 0.00 0.00 0.00 179.25 180.53 1qb5 h GLU 63 N 1.00 0.42 -0.71 0.00 4.39 -0.79 -1.67 114.58 117.22 1qb5 h GLU 63 Ca 0.27 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 1qb5 h GLU 63 Cb -0.10 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 1qb5 h GLU 63 CO -0.06 0.53 0.17 0.52 -1.16 0.00 0.00 179.01 179.02 1qb5 h MET 64 N 0.39 1.13 -0.62 2.33 2.86 -0.58 -0.32 114.93 120.13 1qb5 h MET 64 Ca 0.08 -0.27 -0.05 0.00 -2.06 0.00 0.00 59.70 57.40 1qb5 h MET 64 Cb 0.44 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 1qb5 h MET 64 CO 0.02 1.00 0.19 0.00 1.06 0.00 0.00 176.91 179.19 1qb5 h ARG 65 N 1.07 0.93 -0.45 1.72 3.08 -0.89 -0.64 114.38 119.20 1qb5 h ARG 65 Ca 0.22 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 1qb5 h ARG 65 Cb 0.37 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1qb5 h ARG 65 CO 0.00 0.80 -0.18 0.87 -1.07 0.00 0.00 179.97 180.40 1qb5 h LYS 66 N 0.91 0.87 -0.35 0.04 1.57 -0.90 -0.90 116.57 117.80 1qb5 h LYS 66 Ca 0.20 -0.34 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 1qb5 h LYS 66 Cb 0.26 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1qb5 h LYS 66 CO -0.01 0.98 -0.08 0.82 -0.57 0.00 0.00 179.45 180.58 1qb5 h ILE 67 N 0.76 1.28 -0.03 1.86 2.04 -0.87 -0.64 117.51 121.91 1qb5 h ILE 67 Ca 0.11 -1.15 0.02 0.00 1.00 0.00 0.00 64.86 64.85 1qb5 h ILE 67 Cb 0.71 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1qb5 h ILE 67 CO 0.05 0.38 -0.10 0.00 0.00 0.00 0.00 178.15 178.48 1qb5 h ALA 68 N 0.82 -0.08 -0.81 1.87 0.00 -0.97 -0.53 119.26 119.55 1qb5 h ALA 68 Ca 0.09 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1qb5 h ALA 68 Cb 0.59 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1qb5 h ALA 68 CO 0.03 -0.58 0.43 1.98 0.00 0.00 0.00 179.25 181.12 1qb5 h MET 69 N -0.15 1.14 -0.64 0.00 1.85 -1.10 -1.83 114.93 114.21 1qb5 h MET 69 Ca 0.05 -0.14 -0.05 0.00 -0.61 0.00 0.00 59.70 58.94 1qb5 h MET 69 Cb 0.21 -0.22 -0.03 0.00 0.43 0.00 0.00 31.60 32.00 1qb5 h MET 69 CO -0.12 0.85 0.20 0.00 -0.40 0.00 0.00 176.91 177.44 1qb5 h ALA 70 N 1.23 1.15 -0.46 0.39 0.00 -0.61 -1.13 119.26 119.82 1qb5 h ALA 70 Ca 0.28 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1qb5 h ALA 70 Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1qb5 h ALA 70 CO -0.04 0.59 0.04 0.00 0.00 0.00 0.00 179.25 179.84 1qb5 h ALA 71 N 1.28 0.62 0.11 0.00 0.00 -0.70 -0.97 119.26 119.60 1qb5 h ALA 71 Ca 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1qb5 h ALA 71 Cb 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1qb5 h ALA 71 CO -0.01 0.38 -0.05 0.28 0.00 0.00 0.00 179.25 179.85 1qb5 h VAL 72 N 0.65 0.94 -0.14 0.00 2.07 -0.97 0.15 116.25 118.95 1qb5 h VAL 72 Ca 0.14 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 67.38 1qb5 h VAL 72 Cb 0.44 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1qb5 h VAL 72 CO 0.02 0.04 -0.43 -0.07 0.02 0.00 0.00 177.57 177.14 1qb5 h LEU 73 N -0.22 0.35 -0.91 2.57 3.38 -1.14 -3.29 115.31 116.05 1qb5 h LEU 73 Ca -0.01 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1qb5 h LEU 73 Cb 0.18 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1qb5 h LEU 73 CO 0.02 0.74 -0.32 -1.54 0.09 0.00 0.00 178.44 177.44 1qb5 n SER 74 N -4.01 1.65 0.00 -0.43 3.41 -0.38 -4.98 113.62 108.89 1qb5 n SER 74 Ca -0.02 -1.32 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 1qb5 n SER 74 Cb 0.50 0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 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 1.14 0.54 3.77 5.00 0.00 0.53 -4.99 105.19 111.17 1qb5 n GLY 75 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.34 4.27 0.53 1.61 -1.94 -1.17 -4.94 119.30 117.32 1qb5 s MET 76 Ca 0.00 1.65 -0.12 0.00 -1.71 0.00 0.00 55.69 55.51 1qb5 s MET 76 Cb 0.00 -2.74 -0.06 0.00 2.01 0.00 0.00 34.83 34.04 1qb5 s MET 76 CO 0.00 -0.08 0.95 1.03 -0.01 0.00 0.00 175.02 176.90 1qb5 s ARG 77 N -2.18 3.75 0.10 2.03 0.52 -1.26 -4.62 118.95 117.29 1qb5 s ARG 77 Ca 0.54 0.72 0.06 0.00 -0.52 0.00 0.00 55.73 56.53 1qb5 s ARG 77 Cb -0.26 -2.18 -0.03 0.00 0.52 0.00 0.00 34.95 32.99 1qb5 s ARG 77 CO 0.33 -0.34 -0.16 0.14 0.02 0.00 0.00 175.30 175.29 1qb5 s VAL 78 N -2.81 1.34 -0.09 3.52 -7.23 -0.85 -1.59 120.40 112.69 1qb5 s VAL 78 Ca 0.55 -1.51 -0.02 0.00 -1.81 0.00 0.00 61.98 59.20 1qb5 s VAL 78 Cb -0.10 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 1qb5 s VAL 78 CO 0.41 -0.25 -0.01 0.20 -0.31 0.00 0.00 175.10 175.14 1qb5 s ASN 79 N -2.03 5.09 0.07 4.85 0.02 0.48 -1.74 114.94 121.69 1qb5 s ASN 79 Ca 0.04 0.09 0.06 0.00 -1.02 0.00 0.00 52.86 52.03 1qb5 s ASN 79 Cb -0.08 -1.45 -0.03 0.00 0.02 0.00 0.00 41.25 39.71 1qb5 s ASN 79 CO 0.03 0.35 -0.16 -0.04 0.02 0.00 0.00 177.10 177.30 1qb5 s MET 80 N -0.74 0.97 -0.31 -0.60 -1.94 0.98 -0.19 119.30 117.46 1qb5 s MET 80 Ca 0.11 -0.96 -0.02 0.00 -1.71 0.00 0.00 55.69 53.12 1qb5 s MET 80 Cb -0.11 -1.05 0.05 0.00 2.01 0.00 0.00 34.83 35.73 1qb5 s MET 80 CO 0.02 0.25 0.02 0.00 -0.01 0.00 0.00 175.02 175.30 1qb5 s ALA 82 N 1.25 0.29 0.50 0.00 0.00 -0.18 -0.32 121.76 123.30 1qb5 s ALA 82 Ca -0.04 -1.04 -0.23 0.00 0.00 0.00 0.00 51.96 50.65 1qb5 s ALA 82 Cb -0.20 0.50 -0.07 0.00 0.00 0.00 0.00 23.12 23.35 1qb5 s ALA 82 CO -0.01 -0.46 1.27 0.43 0.00 0.00 0.00 175.76 176.98 1qb5 n SER 83 N -0.01 2.39 -0.42 0.00 7.64 -0.63 0.10 113.62 122.69 1qb5 n SER 83 Ca -0.12 1.02 0.08 0.00 1.01 0.00 0.00 58.87 60.86 1qb5 n SER 83 Cb 0.62 -1.52 0.01 0.00 -1.01 0.00 0.00 64.21 62.31 1qb5 n SER 83 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1qb5 n PRO 84 N -0.51 1.62 0.00 1.43 -0.04 -1.26 -4.63 135.00 131.60 1qb5 n PRO 84 Ca 0.09 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 1qb5 n PRO 84 Cb 0.43 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.06 0.98 -3.93 0.55 0.00 -1.26 -5.08 120.51 111.84 1qb5 n ALA 85 Ca 0.07 -0.47 -0.29 0.00 0.00 0.00 0.00 53.44 52.75 1qb5 n ALA 85 Cb 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.81 1qb5 n ALA 85 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1qb5 n SER 86 N -0.05 2.81 -3.48 0.00 7.64 -1.26 -5.11 113.62 114.16 1qb5 n SER 86 Ca 0.00 -2.93 -0.10 0.00 1.01 0.00 0.00 58.87 56.85 1qb5 n SER 86 Cb 0.43 -0.02 -0.09 0.00 -1.01 0.00 0.00 64.21 63.51 1qb5 n SER 86 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1qb5 s SER 87 N -4.25 0.16 0.70 6.43 0.01 -1.26 -4.15 113.70 111.34 1qb5 s SER 87 Ca 0.30 0.47 -0.11 0.00 1.31 0.00 0.00 55.95 57.93 1qb5 s SER 87 Cb -0.02 1.11 0.01 0.00 0.21 0.00 0.00 66.02 67.32 1qb5 s SER 87 CO 0.19 -0.27 1.06 -2.84 0.41 0.00 0.00 173.24 171.79 1qb5 s PRO 88 N 2.54 2.86 0.49 12.44 0.02 -1.26 -5.15 135.00 146.94 1qb5 s PRO 88 Ca 0.07 1.00 -0.15 0.00 0.02 0.00 0.00 61.00 61.94 1qb5 s PRO 88 Cb -0.14 -1.98 -0.07 0.00 0.02 0.00 0.00 34.50 32.33 1qb5 s PRO 88 CO -0.14 -1.16 0.93 -0.80 -0.33 0.00 0.00 177.00 175.50 1qb5 s ASN 89 N -3.68 6.59 -0.06 2.53 0.02 -1.01 -4.78 114.94 114.54 1qb5 s ASN 89 Ca 0.59 1.46 -0.03 0.00 -1.02 0.00 0.00 52.86 53.86 1qb5 s ASN 89 Cb -0.15 -2.46 -0.04 0.00 0.02 0.00 0.00 41.25 38.63 1qb5 s ASN 89 CO 0.54 -0.55 0.08 -0.69 0.02 0.00 0.00 177.10 176.51 1qb5 s VAL 90 N -2.57 4.87 -0.16 1.60 1.01 -1.26 0.64 120.40 124.53 1qb5 s VAL 90 Ca 0.57 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 1qb5 s VAL 90 Cb -0.10 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1qb5 s VAL 90 CO 0.32 0.50 0.38 -0.63 0.00 0.00 0.00 175.10 175.67 1qb5 s ILE 91 N -1.07 5.24 -0.11 2.22 1.01 -0.53 -1.60 121.20 126.36 1qb5 s ILE 91 Ca 0.18 0.72 0.13 0.00 0.00 0.00 0.00 60.65 61.68 1qb5 s ILE 91 Cb -0.12 -3.72 -0.19 0.00 0.01 0.00 0.00 42.46 38.44 1qb5 s ILE 91 CO 0.08 0.32 0.33 0.79 0.00 0.00 0.00 174.94 176.46 1qb5 n TRP 92 N 3.91 0.00 -3.62 3.97 8.01 0.57 -3.95 117.44 126.33 1qb5 n TRP 92 Ca -0.09 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 55.94 1qb5 n TRP 92 Cb 0.51 -0.25 -0.07 0.00 -2.01 0.00 0.00 31.31 29.50 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 -2.78 -1.37 -0.06 6.99 0.00 -1.02 -4.98 121.76 118.54 1qb5 s ALA 93 Ca -0.03 0.94 -0.06 0.00 0.00 0.00 0.00 51.96 52.81 1qb5 s ALA 93 Cb 0.08 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.21 1qb5 s ALA 93 CO 0.53 -0.32 0.17 -1.50 0.00 0.00 0.00 175.76 174.64 1qb5 s ILE 94 N -1.18 -0.00 -0.14 0.00 2.07 -1.26 -1.02 121.20 119.67 1qb5 s ILE 94 Ca -0.12 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.13 1qb5 s ILE 94 Cb -0.02 -0.25 0.02 0.00 0.13 0.00 0.00 42.46 42.34 1qb5 s ILE 94 CO 0.07 0.00 -0.15 -0.70 -1.91 0.00 0.00 174.94 172.26 1qb5 s GLU 95 N 0.11 2.35 -0.11 3.50 2.12 0.73 -4.97 118.70 122.42 1qb5 s GLU 95 Ca -0.00 -0.58 -0.22 0.00 0.36 0.00 0.00 54.97 54.52 1qb5 s GLU 95 Cb -0.01 -2.11 -0.03 0.00 0.26 0.00 0.00 34.13 32.23 1qb5 s GLU 95 CO 0.00 -0.20 0.68 -1.17 -0.54 0.00 0.00 175.26 174.02 1qb5 s LEU 96 N 1.39 4.26 -0.08 2.70 0.20 -1.26 -0.38 118.68 125.50 1qb5 s LEU 96 Ca 0.03 1.07 0.04 0.00 0.69 0.00 0.00 54.13 55.95 1qb5 s LEU 96 Cb -0.13 -3.02 0.00 0.00 -0.43 0.00 0.00 46.19 42.61 1qb5 s LEU 96 CO -0.09 -0.17 -0.19 -1.83 -0.29 0.00 0.00 176.35 173.77 1qb5 s GLU 97 N 1.20 2.42 -0.12 1.98 -1.05 -0.62 -4.98 118.70 117.54 1qb5 s GLU 97 Ca 0.34 -0.70 -0.18 0.00 -0.15 0.00 0.00 54.97 54.29 1qb5 s GLU 97 Cb -0.17 -1.91 -0.26 0.00 -0.44 0.00 0.00 34.13 31.35 1qb5 s GLU 97 CO 0.15 0.15 0.55 0.00 0.95 0.00 0.00 175.26 177.06 1qb5 h ALA 98 N 6.69 0.16 0.00 -0.84 0.00 -1.98 -3.34 119.26 119.95 1qb5 h ALA 98 Ca -0.25 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.62 1qb5 h ALA 98 Cb 1.21 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1qb5 h ALA 98 CO 0.47 0.72 0.00 0.39 0.00 0.00 0.00 179.25 180.83