#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqd n LEU 88 N 0.00 0.00 0.25 -0.35 4.77 -1.26 -1.15 117.00 119.25 3kqd n LEU 88 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.16 3kqd n LEU 88 Cb 0.00 0.00 0.89 0.00 -2.33 0.00 0.00 43.42 41.98 3kqd n LEU 88 CO 0.00 0.00 1.15 0.00 -1.33 0.00 0.00 177.39 177.21 3kqd h SER 90 N 0.00 0.00 -2.91 0.00 0.02 -1.51 -2.96 113.55 106.19 3kqd h SER 90 Ca 0.06 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.32 3kqd h SER 90 Cb 0.47 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 62.82 3kqd h SER 90 CO -0.00 0.11 0.16 -0.22 -1.14 0.00 0.00 176.83 175.75 3kqd s LEU 91 N -6.03 5.21 -1.31 5.07 2.96 -0.44 -4.52 118.68 119.62 3kqd s LEU 91 Ca 0.04 -1.31 -0.14 0.00 -0.22 0.00 0.00 54.13 52.50 3kqd s LEU 91 Cb 0.07 -2.34 0.01 0.00 0.50 0.00 0.00 46.19 44.43 3kqd s LEU 91 CO 0.72 -1.13 0.52 -0.67 -1.32 0.00 0.00 176.35 174.46 3kqd n ASP 92 N 6.49 -2.40 -1.74 3.68 4.64 -1.26 -1.38 116.55 124.58 3kqd n ASP 92 Ca -0.08 -1.12 -0.12 0.00 -1.38 0.00 0.00 54.79 52.08 3kqd n ASP 92 Cb 0.43 -2.59 -0.03 0.00 -1.04 0.00 0.00 41.12 37.89 3kqd n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 3kqd n ASN 93 N -2.69 -3.37 -2.11 1.67 5.15 -1.12 -1.00 115.26 111.79 3kqd n ASN 93 Ca -0.21 0.26 -0.20 0.00 -0.60 0.00 0.00 54.58 53.84 3kqd n ASN 93 Cb 0.63 -3.07 -0.04 0.00 -0.53 0.00 0.00 39.78 36.78 3kqd n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kqd n GLY 94 N -0.43 0.33 2.55 8.20 0.00 -0.48 -1.56 105.19 113.80 3kqd n GLY 94 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 3kqd n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kqd n ASP 95 N -1.72 -4.72 -4.80 1.61 4.64 -0.17 -4.94 116.55 106.45 3kqd n ASP 95 Ca -0.22 0.05 -0.34 0.00 -1.38 0.00 0.00 54.79 52.91 3kqd n ASP 95 Cb 0.67 -2.41 -0.04 0.00 -1.04 0.00 0.00 41.12 38.30 3kqd n ASP 95 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3kqd h ASP 97 N 1.53 0.34 0.00 0.00 3.45 -1.57 -3.47 116.42 116.69 3kqd h ASP 97 Ca -0.49 -0.57 0.00 0.00 0.43 0.00 0.00 57.03 56.40 3kqd h ASP 97 Cb 1.21 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.89 3kqd h ASP 97 CO 0.59 0.84 0.00 0.00 -1.57 0.00 0.00 179.24 179.10 3kqd n GLN 98 N -4.54 0.00 -1.95 3.56 6.02 -1.26 -5.01 117.38 114.20 3kqd n GLN 98 Ca -0.07 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.50 3kqd n GLN 98 Cb 0.41 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.64 3kqd n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3kqd s PHE 99 N 2.01 3.05 -0.09 1.08 0.08 -0.86 -4.92 117.98 118.34 3kqd s PHE 99 Ca 0.00 0.72 0.04 0.00 0.12 0.00 0.00 56.93 57.81 3kqd s PHE 99 Cb 0.00 -3.90 -0.00 0.00 -0.57 0.00 0.00 43.02 38.54 3kqd s PHE 99 CO 0.00 -3.25 -0.24 0.00 -0.10 0.00 0.00 175.22 171.62 3kqd s HIS 101 N 0.26 0.73 -0.18 0.00 0.09 0.39 -4.99 115.29 111.58 3kqd s HIS 101 Ca -0.17 -0.89 -0.02 0.00 -0.00 0.00 0.00 55.06 53.99 3kqd s HIS 101 Cb -0.17 -0.45 -0.01 0.00 -0.00 0.00 0.00 32.58 31.95 3kqd s HIS 101 CO 0.08 -0.21 -0.10 -1.21 -0.00 0.00 0.00 174.74 173.30 3kqd s GLU 102 N -3.45 3.31 -0.06 1.40 2.02 -1.26 -0.09 118.70 120.57 3kqd s GLU 102 Ca 0.06 -0.68 -0.01 0.00 0.02 0.00 0.00 54.97 54.36 3kqd s GLU 102 Cb 0.03 -2.79 0.03 0.00 0.10 0.00 0.00 34.13 31.50 3kqd s GLU 102 CO -0.05 -0.05 0.01 -1.21 0.02 0.00 0.00 175.26 173.97 3kqd s GLU 103 N 1.04 0.43 -1.30 1.61 2.02 -0.94 -4.87 118.70 116.69 3kqd s GLU 103 Ca -0.00 0.15 -0.01 0.00 0.02 0.00 0.00 54.97 55.12 3kqd s GLU 103 Cb -0.15 -0.80 -0.00 0.00 0.10 0.00 0.00 34.13 33.28 3kqd s GLU 103 CO -0.02 -0.27 0.68 1.04 0.02 0.00 0.00 175.26 176.71 3kqd n GLN 104 N 4.99 -4.49 -1.35 1.61 6.02 -1.26 -2.16 117.38 120.74 3kqd n GLN 104 Ca -0.10 0.60 -0.13 0.00 -0.01 0.00 0.00 57.00 57.36 3kqd n GLN 104 Cb 0.50 -5.07 -0.06 0.00 1.02 0.00 0.00 30.24 26.63 3kqd n GLN 104 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3kqd n ASN 105 N -3.04 -4.83 -4.69 1.08 5.15 -1.26 -4.98 115.26 102.70 3kqd n ASN 105 Ca -0.29 0.33 -0.30 0.00 -0.60 0.00 0.00 54.58 53.72 3kqd n ASN 105 Cb 0.67 -3.94 -0.09 0.00 -0.53 0.00 0.00 39.78 35.89 3kqd n ASN 105 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3kqd s SER 106 N -2.31 4.02 -0.04 1.20 1.04 -0.92 -5.02 113.70 111.67 3kqd s SER 106 Ca 0.00 -1.49 -0.21 0.00 0.48 0.00 0.00 55.95 54.73 3kqd s SER 106 Cb 0.00 0.02 -0.05 0.00 0.10 0.00 0.00 66.02 66.10 3kqd s SER 106 CO 0.00 -0.64 0.61 -0.69 0.98 0.00 0.00 173.24 173.49 3kqd s VAL 107 N -2.78 4.99 -0.10 5.02 1.01 -1.26 -2.22 120.40 125.06 3kqd s VAL 107 Ca 0.22 1.25 -0.01 0.00 0.00 0.00 0.00 61.98 63.45 3kqd s VAL 107 Cb 0.06 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.52 3kqd s VAL 107 CO 0.11 0.35 -0.04 -0.69 0.00 0.00 0.00 175.10 174.84 3kqd s VAL 108 N 0.23 0.77 0.07 2.92 1.01 0.87 -4.91 120.40 121.36 3kqd s VAL 108 Ca 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 3kqd s VAL 108 Cb -0.18 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 3kqd s VAL 108 CO 0.16 0.29 0.24 0.00 0.00 0.00 0.00 175.10 175.79 3kqd s SER 110 N -2.49 0.18 0.27 0.00 1.04 -0.69 -4.96 113.70 107.05 3kqd s SER 110 Ca 0.36 -1.16 0.05 0.00 0.48 0.00 0.00 55.95 55.68 3kqd s SER 110 Cb -0.13 0.55 -0.06 0.00 0.10 0.00 0.00 66.02 66.49 3kqd s SER 110 CO 0.27 -1.10 -0.02 0.00 0.98 0.00 0.00 173.24 173.37 3kqd s ALA 112 N -3.17 1.01 0.03 0.00 0.00 -1.26 -4.94 121.76 113.42 3kqd s ALA 112 Ca 0.30 -0.76 -0.30 0.00 0.00 0.00 0.00 51.96 51.20 3kqd s ALA 112 Cb 0.05 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 20.16 3kqd s ALA 112 CO 0.11 -3.10 1.21 1.03 0.00 0.00 0.00 175.76 175.02 3kqd s ARG 113 N -5.31 4.40 0.00 0.00 0.52 -1.26 -3.12 118.95 114.18 3kqd s ARG 113 Ca 0.69 1.76 0.00 0.00 -0.52 0.00 0.00 55.73 57.66 3kqd s ARG 113 Cb -0.12 -3.41 0.00 0.00 0.52 0.00 0.00 34.95 31.94 3kqd s ARG 113 CO 0.56 -0.32 0.00 0.41 0.02 0.00 0.00 175.30 175.97 3kqd n GLY 114 N 3.28 1.05 3.07 -3.53 0.00 -1.26 -4.61 105.19 103.19 3kqd n GLY 114 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 3kqd n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqd s TYR 115 N -2.00 0.86 -0.04 1.61 2.02 -1.18 -0.79 117.35 117.83 3kqd s TYR 115 Ca 0.00 -0.32 0.04 0.00 -0.37 0.00 0.00 57.07 56.42 3kqd s TYR 115 Cb 0.00 -0.52 -0.03 0.00 -0.40 0.00 0.00 41.96 41.01 3kqd s TYR 115 CO 0.00 -0.01 -0.16 0.95 -1.57 0.00 0.00 175.55 174.76 3kqd s THR 116 N -0.80 2.92 0.15 -0.71 -4.23 0.11 -4.73 115.64 108.34 3kqd s THR 116 Ca -0.02 -0.80 -0.31 0.00 -1.18 0.00 0.00 61.69 59.38 3kqd s THR 116 Cb -0.07 -2.13 -0.08 0.00 1.34 0.00 0.00 72.50 71.56 3kqd s THR 116 CO 0.01 0.57 1.32 -0.22 -0.54 0.00 0.00 174.62 175.76 3kqd s LEU 117 N -0.77 4.39 1.18 4.79 2.96 -1.26 0.08 118.68 130.05 3kqd s LEU 117 Ca 0.12 2.32 -0.15 0.00 -0.22 0.00 0.00 54.13 56.19 3kqd s LEU 117 Cb -0.11 -3.60 0.28 0.00 0.50 0.00 0.00 46.19 43.27 3kqd s LEU 117 CO 0.01 -0.56 1.04 0.00 -1.32 0.00 0.00 176.35 175.51 3kqd s ALA 118 N 0.60 -0.10 0.29 5.97 0.00 -0.26 -4.90 121.76 123.36 3kqd s ALA 118 Ca 0.60 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.16 3kqd s ALA 118 Cb -0.36 -3.12 0.43 0.00 0.00 0.00 0.00 23.12 20.08 3kqd s ALA 118 CO 0.34 -3.73 1.76 -0.44 0.00 0.00 0.00 175.76 173.69 3kqd h ASP 119 N -2.59 0.54 0.21 0.00 3.32 -1.95 -2.16 116.42 113.79 3kqd h ASP 119 Ca -0.56 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.34 3kqd h ASP 119 Cb 1.33 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3kqd h ASP 119 CO 0.48 0.72 0.00 -0.46 -1.72 0.00 0.00 179.24 178.25 3kqd n ASN 120 N -4.17 0.00 -0.89 6.45 0.23 -1.26 -4.85 115.26 110.76 3kqd n ASN 120 Ca 0.01 0.31 -0.12 0.00 -0.53 0.00 0.00 54.58 54.25 3kqd n ASN 120 Cb 0.35 -0.38 -0.05 0.00 -2.08 0.00 0.00 39.78 37.62 3kqd n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kqd n GLY 121 N -0.61 1.19 0.97 4.83 0.00 -0.81 -4.83 105.19 105.93 3kqd n GLY 121 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 3kqd n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kqd n LYS 122 N -1.66 0.04 -1.93 1.61 5.02 -1.26 -4.21 118.16 115.77 3kqd n LYS 122 Ca -0.12 0.02 -0.33 0.00 -2.02 0.00 0.00 58.31 55.86 3kqd n LYS 122 Cb 0.51 -0.56 0.02 0.00 -0.02 0.00 0.00 35.03 34.98 3kqd n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqd s ALA 123 N -2.05 2.65 -0.21 7.82 0.00 -1.26 -1.44 121.76 127.27 3kqd s ALA 123 Ca -0.02 0.43 -0.03 0.00 0.00 0.00 0.00 51.96 52.34 3kqd s ALA 123 Cb 0.01 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 3kqd s ALA 123 CO 0.03 -0.98 -0.07 0.00 0.00 0.00 0.00 175.76 174.74 3kqd s ILE 125 N 1.34 5.23 0.19 0.00 -1.09 0.11 -4.88 121.20 122.10 3kqd s ILE 125 Ca 0.04 0.14 -0.31 0.00 -2.23 0.00 0.00 60.65 58.29 3kqd s ILE 125 Cb -0.14 -3.44 -0.09 0.00 -1.58 0.00 0.00 42.46 37.21 3kqd s ILE 125 CO -0.04 0.35 1.45 -2.84 -1.23 0.00 0.00 174.94 172.64 3kqd s PRO 126 N 1.05 4.28 0.25 2.79 0.02 -1.26 0.09 135.00 142.23 3kqd s PRO 126 Ca 0.07 2.24 0.12 0.00 0.02 0.00 0.00 61.00 63.45 3kqd s PRO 126 Cb -0.14 -3.16 0.22 0.00 0.02 0.00 0.00 34.50 31.44 3kqd s PRO 126 CO 0.04 -0.46 1.52 1.79 -0.33 0.00 0.00 177.00 179.56 3kqd h THR 127 N 3.86 1.31 -3.33 0.99 1.35 -1.31 -3.47 112.91 112.32 3kqd h THR 127 Ca -0.44 -2.38 -0.20 0.00 -0.55 0.00 0.00 66.41 62.84 3kqd h THR 127 Cb 1.21 2.34 -0.05 0.00 -1.73 0.00 0.00 68.15 69.92 3kqd h THR 127 CO 0.84 0.64 -0.15 0.61 -0.25 0.00 0.00 175.52 177.21 3kqd n GLY 128 N 0.70 2.88 3.76 5.82 0.00 -1.26 -5.11 105.19 111.98 3kqd n GLY 128 Ca -0.00 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 3kqd n GLY 128 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kqd s PRO 129 N -2.58 1.64 -1.40 1.61 0.04 -1.26 -4.08 135.00 128.97 3kqd s PRO 129 Ca 0.19 0.73 -0.02 0.00 0.04 0.00 0.00 61.00 61.94 3kqd s PRO 129 Cb 0.00 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.69 3kqd s PRO 129 CO 0.13 -1.95 0.54 0.66 0.04 0.00 0.00 177.00 176.42 3kqd n TYR 130 N -3.67 -1.75 -0.95 0.56 4.01 -1.26 -4.97 117.16 109.13 3kqd n TYR 130 Ca 0.07 0.78 -0.30 0.00 -0.16 0.00 0.00 57.90 58.29 3kqd n TYR 130 Cb 0.56 -3.89 0.15 0.00 -0.31 0.00 0.00 39.34 35.84 3kqd n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3kqd s PRO 131 N -6.42 1.20 0.70 -0.72 0.04 -1.26 -4.95 135.00 123.60 3kqd s PRO 131 Ca 0.07 1.21 -0.16 0.00 0.04 0.00 0.00 61.00 62.16 3kqd s PRO 131 Cb -0.04 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.75 3kqd s PRO 131 CO 0.87 -2.39 1.21 0.00 0.04 0.00 0.00 177.00 176.72 3kqd n GLY 133 N 0.42 0.46 3.73 0.00 0.00 -1.26 -4.99 105.19 103.54 3kqd n GLY 133 Ca 0.14 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3kqd n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqd s LYS 134 N -1.99 3.79 0.36 1.61 -0.14 -1.22 -5.09 119.74 117.06 3kqd s LYS 134 Ca 0.00 -0.26 -0.25 0.00 -1.36 0.00 0.00 55.97 54.10 3kqd s LYS 134 Cb 0.00 -3.22 -0.09 0.00 -1.68 0.00 0.00 37.83 32.84 3kqd s LYS 134 CO 0.00 0.46 1.03 -0.65 -0.76 0.00 0.00 175.35 175.42 3kqd s GLN 135 N -0.13 4.34 -0.93 1.68 -0.21 -1.26 -4.96 119.66 118.18 3kqd s GLN 135 Ca 0.09 1.49 -0.03 0.00 0.02 0.00 0.00 55.36 56.93 3kqd s GLN 135 Cb -0.12 -2.68 0.21 0.00 1.00 0.00 0.00 33.01 31.42 3kqd s GLN 135 CO 0.01 0.02 2.25 0.25 -2.12 0.00 0.00 175.29 175.70 3kqd n THR 136 N 0.24 4.67 1.30 -0.19 -2.24 -1.26 -4.75 114.28 112.05 3kqd n THR 136 Ca 0.03 -4.45 0.13 0.00 -2.27 0.00 0.00 64.05 57.50 3kqd n THR 136 Cb 0.49 -1.64 0.69 0.00 -2.10 0.00 0.00 70.33 67.77 3kqd n THR 136 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kqd n LEU 137 N 0.55 0.00 -0.74 3.22 4.77 -1.26 -5.25 117.00 118.30 3kqd n LEU 137 Ca 0.53 0.28 0.09 0.00 -0.03 0.00 0.00 56.01 56.88 3kqd n LEU 137 Cb 0.32 -0.28 0.08 0.00 -2.33 0.00 0.00 43.42 41.21 3kqd n LEU 137 CO 0.52 -0.03 0.54 -0.62 -1.33 0.00 0.00 177.39 176.47