#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqk n LEU 88 N 0.00 -0.44 -1.18 3.14 7.94 -1.26 -4.87 117.00 120.32 1iqk n LEU 88 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1iqk n LEU 88 Cb 0.00 -0.22 0.00 0.00 0.53 0.00 0.00 43.42 43.73 1iqk n LEU 88 CO 0.00 0.00 0.60 0.00 -1.11 0.00 0.00 177.39 176.88 1iqk n SER 90 N 0.89 1.37 0.36 0.00 7.64 -1.26 -3.94 113.62 118.68 1iqk n SER 90 Ca 0.00 -0.27 -0.14 0.00 1.01 0.00 0.00 58.87 59.47 1iqk n SER 90 Cb 0.45 0.81 -0.07 0.00 -1.01 0.00 0.00 64.21 64.38 1iqk n SER 90 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1iqk h LEU 91 N 0.00 -0.80 -5.17 -3.43 7.12 -1.88 -3.41 115.31 107.75 1iqk h LEU 91 Ca 0.00 0.03 -0.29 0.00 0.13 0.00 0.00 57.88 57.74 1iqk h LEU 91 Cb 0.00 0.21 -0.23 0.00 -0.53 0.00 0.00 40.66 40.10 1iqk h LEU 91 CO 0.00 -0.48 -0.66 -0.67 -0.13 0.00 0.00 178.44 176.51 1iqk n ASP 92 N -5.05 -1.07 -1.92 1.25 2.03 -1.26 -4.93 116.55 105.59 1iqk n ASP 92 Ca -0.12 -3.03 -0.17 0.00 0.52 0.00 0.00 54.79 51.99 1iqk n ASP 92 Cb 0.37 0.82 -0.01 0.00 -0.72 0.00 0.00 41.12 41.58 1iqk n ASP 92 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1iqk n ASN 93 N -0.03 -5.05 -0.29 1.67 5.15 -1.25 -2.24 115.26 113.21 1iqk n ASN 93 Ca 0.07 0.01 -0.04 0.00 -0.60 0.00 0.00 54.58 54.02 1iqk n ASN 93 Cb 0.76 -4.13 -0.02 0.00 -0.53 0.00 0.00 39.78 35.86 1iqk n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1iqk n GLY 94 N -1.01 0.51 2.26 8.20 0.00 -1.25 -1.69 105.19 112.21 1iqk n GLY 94 Ca -0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.71 1iqk n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iqk n ASP 95 N -0.61 -3.87 -4.84 1.61 2.03 -0.95 -5.00 116.55 104.92 1iqk n ASP 95 Ca -0.04 0.06 -0.32 0.00 0.52 0.00 0.00 54.79 55.01 1iqk n ASP 95 Cb 0.38 -1.57 -0.06 0.00 -0.72 0.00 0.00 41.12 39.15 1iqk n ASP 95 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iqk h ASP 97 N 1.88 0.00 0.00 0.00 5.19 -1.85 -3.47 116.42 118.16 1iqk h ASP 97 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1iqk h ASP 97 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1iqk h ASP 97 CO 0.63 0.17 0.00 0.00 -3.12 0.00 0.00 179.24 176.92 1iqk n GLN 98 N -3.15 0.00 -1.65 3.56 6.02 -1.26 -4.96 117.38 115.94 1iqk n GLN 98 Ca 0.03 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.58 1iqk n GLN 98 Cb 0.59 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.84 1iqk n GLN 98 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1iqk n PHE 99 N 0.00 1.88 -3.92 1.08 3.72 -1.11 -4.88 117.46 114.24 1iqk n PHE 99 Ca 0.00 0.59 -0.13 0.00 -0.05 0.00 0.00 57.45 57.87 1iqk n PHE 99 Cb 0.00 -2.36 -0.14 0.00 -0.94 0.00 0.00 39.48 36.04 1iqk n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1iqk s HIS 101 N -0.00 1.23 -2.00 0.00 3.76 0.88 -4.97 115.29 114.18 1iqk s HIS 101 Ca 0.00 -0.66 0.05 0.00 -0.15 0.00 0.00 55.06 54.30 1iqk s HIS 101 Cb -0.01 -1.09 0.28 0.00 1.11 0.00 0.00 32.58 32.87 1iqk s HIS 101 CO -0.00 -0.49 0.74 0.39 -0.85 0.00 0.00 174.74 174.52 1iqk n GLU 102 N 5.00 0.48 -0.05 1.40 1.02 -1.26 -0.90 120.64 126.34 1iqk n GLU 102 Ca -0.10 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.02 1iqk n GLU 102 Cb 0.49 -1.15 -0.00 0.00 -0.02 0.00 0.00 31.44 30.76 1iqk n GLU 102 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1iqk n GLU 103 N -0.65 0.00 0.00 3.49 0.00 -1.26 -4.19 120.64 118.03 1iqk n GLU 103 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 1iqk n GLU 103 Cb 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 31.44 31.41 1iqk n GLU 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1iqk n GLN 104 N 0.05 0.00 0.00 5.31 10.64 -1.26 -4.03 117.38 128.09 1iqk n GLN 104 Ca 0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 1iqk n GLN 104 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1iqk n GLN 104 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 1iqk n ASN 105 N 3.03 0.00 -4.28 2.61 6.94 -1.26 -5.04 115.26 117.26 1iqk n ASN 105 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 54.58 54.22 1iqk n ASN 105 Cb 0.00 0.00 0.12 0.00 -2.36 0.00 0.00 39.78 37.54 1iqk n ASN 105 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1iqk n SER 106 N 0.00 -2.72 -4.86 0.53 7.64 -1.26 -4.54 113.62 108.41 1iqk n SER 106 Ca 0.00 0.11 -0.33 0.00 1.01 0.00 0.00 58.87 59.66 1iqk n SER 106 Cb 0.00 -1.00 -0.06 0.00 -1.01 0.00 0.00 64.21 62.15 1iqk n SER 106 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1iqk s VAL 107 N -2.25 4.84 -0.11 0.44 -7.23 -1.26 -4.23 120.40 110.58 1iqk s VAL 107 Ca 0.53 0.69 0.01 0.00 -1.81 0.00 0.00 61.98 61.40 1iqk s VAL 107 Cb -0.14 -3.65 0.02 0.00 0.56 0.00 0.00 36.38 33.17 1iqk s VAL 107 CO 0.69 -0.03 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.61 1iqk s VAL 108 N -1.79 1.48 0.47 1.32 1.01 -0.07 -4.92 120.40 117.91 1iqk s VAL 108 Ca 0.47 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1iqk s VAL 108 Cb -0.12 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.91 1iqk s VAL 108 CO 0.20 0.44 0.67 0.00 0.00 0.00 0.00 175.10 176.41 1iqk s SER 110 N -4.31 -0.18 0.18 0.00 1.04 -0.76 -4.94 113.70 104.74 1iqk s SER 110 Ca 0.52 -0.44 0.04 0.00 0.48 0.00 0.00 55.95 56.55 1iqk s SER 110 Cb -0.10 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 1iqk s SER 110 CO 0.37 -0.96 -0.05 0.00 0.98 0.00 0.00 173.24 173.58 1iqk n ALA 112 N -0.28 -3.83 -2.62 0.00 0.00 -1.26 -4.86 120.51 107.66 1iqk n ALA 112 Ca -0.08 -1.59 -0.43 0.00 0.00 0.00 0.00 53.44 51.35 1iqk n ALA 112 Cb 0.62 -1.53 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 1iqk n ALA 112 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1iqk s ARG 113 N -4.49 3.94 0.00 0.00 3.00 -1.26 -3.17 118.95 116.97 1iqk s ARG 113 Ca 0.61 0.83 0.00 0.00 0.00 0.00 0.00 55.73 57.17 1iqk s ARG 113 Cb -0.14 -3.79 0.00 0.00 0.00 0.00 0.00 34.95 31.03 1iqk s ARG 113 CO 0.55 -0.99 0.00 0.41 0.00 0.00 0.00 175.30 175.26 1iqk n GLY 114 N 4.20 1.08 1.02 -3.53 0.00 -1.26 -4.81 105.19 101.88 1iqk n GLY 114 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 1iqk n GLY 114 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1iqk n TYR 115 N 0.00 -1.77 -3.72 1.61 4.02 -1.19 -2.57 117.16 113.54 1iqk n TYR 115 Ca 0.00 -0.60 -0.13 0.00 -0.01 0.00 0.00 57.90 57.16 1iqk n TYR 115 Cb 0.00 -0.13 -0.10 0.00 -0.02 0.00 0.00 39.34 39.09 1iqk n TYR 115 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1iqk s THR 116 N -0.47 -0.00 0.12 -0.72 -4.23 -0.19 -4.83 115.64 105.32 1iqk s THR 116 Ca 0.11 0.01 -0.30 0.00 -1.18 0.00 0.00 61.69 60.32 1iqk s THR 116 Cb -0.01 -0.61 -0.07 0.00 1.34 0.00 0.00 72.50 73.15 1iqk s THR 116 CO 0.07 0.00 1.24 -0.22 -0.54 0.00 0.00 174.62 175.17 1iqk s LEU 117 N 0.36 4.40 1.18 4.79 2.96 -1.26 -0.60 118.68 130.50 1iqk s LEU 117 Ca -0.01 2.16 -0.17 0.00 -0.22 0.00 0.00 54.13 55.89 1iqk s LEU 117 Cb -0.04 -3.59 0.27 0.00 0.50 0.00 0.00 46.19 43.34 1iqk s LEU 117 CO -0.01 -0.47 1.06 0.00 -1.32 0.00 0.00 176.35 175.61 1iqk s ALA 118 N 0.68 0.29 0.26 5.97 0.00 0.49 -4.84 121.76 124.61 1iqk s ALA 118 Ca 0.58 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.88 1iqk s ALA 118 Cb -0.32 -3.02 0.43 0.00 0.00 0.00 0.00 23.12 20.21 1iqk s ALA 118 CO 0.32 -3.59 1.85 -0.44 0.00 0.00 0.00 175.76 173.90 1iqk h ASP 119 N -2.53 0.89 0.52 0.00 3.45 -1.94 -0.35 116.42 116.44 1iqk h ASP 119 Ca -0.51 0.03 0.00 0.00 0.43 0.00 0.00 57.03 56.98 1iqk h ASP 119 Cb 1.32 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 1iqk h ASP 119 CO 0.43 0.53 0.00 -0.46 -1.57 0.00 0.00 179.24 178.17 1iqk n ASN 120 N -4.61 0.03 0.00 6.45 0.23 -1.26 -4.87 115.26 111.22 1iqk n ASN 120 Ca 0.15 0.51 0.00 0.00 -0.53 0.00 0.00 54.58 54.71 1iqk n ASN 120 Cb 0.25 -0.51 0.00 0.00 -2.08 0.00 0.00 39.78 37.44 1iqk n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1iqk n GLY 121 N 0.02 0.48 0.90 4.83 0.00 -0.14 -4.91 105.19 106.37 1iqk n GLY 121 Ca 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 1iqk n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iqk n LYS 122 N -3.00 0.08 -1.63 1.61 4.01 -1.26 -4.30 118.16 113.68 1iqk n LYS 122 Ca 0.00 0.03 -0.34 0.00 -0.51 0.00 0.00 58.31 57.50 1iqk n LYS 122 Cb 0.00 -0.65 0.07 0.00 -0.51 0.00 0.00 35.03 33.94 1iqk n LYS 122 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1iqk s ALA 123 N -2.14 2.31 -0.19 7.82 0.00 -1.26 -3.09 121.76 125.21 1iqk s ALA 123 Ca -0.05 0.72 -0.02 0.00 0.00 0.00 0.00 51.96 52.62 1iqk s ALA 123 Cb 0.01 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1iqk s ALA 123 CO 0.07 -1.54 -0.09 0.00 0.00 0.00 0.00 175.76 174.20 1iqk s ILE 125 N 1.16 4.31 0.75 0.00 1.01 0.23 -4.87 121.20 123.79 1iqk s ILE 125 Ca 0.01 -0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.30 1iqk s ILE 125 Cb -0.14 -2.83 0.05 0.00 0.01 0.00 0.00 42.46 39.54 1iqk s ILE 125 CO -0.03 0.58 1.12 -2.84 0.00 0.00 0.00 174.94 173.78 1iqk s PRO 126 N -0.61 2.22 0.00 2.79 0.02 -1.26 -1.02 135.00 137.14 1iqk s PRO 126 Ca 0.10 1.39 0.00 0.00 0.02 0.00 0.00 61.00 62.51 1iqk s PRO 126 Cb -0.12 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.52 1iqk s PRO 126 CO 0.02 -1.70 0.00 0.25 -0.33 0.00 0.00 177.00 175.24 1iqk n THR 127 N -3.15 0.00 -4.55 0.99 -2.24 -1.06 -4.81 114.28 99.46 1iqk n THR 127 Ca 0.11 -0.13 -0.25 0.00 -2.27 0.00 0.00 64.05 61.50 1iqk n THR 127 Cb 0.52 0.61 -0.11 0.00 -2.10 0.00 0.00 70.33 69.25 1iqk n THR 127 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1iqk s GLY 128 N -1.48 2.32 0.23 3.38 0.00 -1.26 -5.07 107.32 105.44 1iqk s GLY 128 Ca 0.00 -2.19 -0.08 0.00 0.00 0.00 0.00 44.72 42.45 1iqk s GLY 128 CO 0.00 -1.98 1.88 -2.55 0.00 0.00 0.00 173.10 170.45 1iqk h PRO 129 N 1.92 1.02 -2.74 2.90 0.11 -1.98 -3.36 132.00 129.86 1iqk h PRO 129 Ca -0.43 -0.06 -0.61 0.00 0.11 0.00 0.00 66.00 65.01 1iqk h PRO 129 Cb 1.24 -0.23 -0.41 0.00 0.11 0.00 0.00 31.00 31.71 1iqk h PRO 129 CO 0.76 0.68 -0.65 0.66 -0.21 0.00 0.00 178.00 179.24 1iqk n TYR 130 N -4.56 2.71 -1.75 0.65 4.01 -1.26 -5.10 117.16 111.86 1iqk n TYR 130 Ca 0.10 -4.13 -0.38 0.00 -0.16 0.00 0.00 57.90 53.33 1iqk n TYR 130 Cb 0.08 -0.49 0.05 0.00 -0.31 0.00 0.00 39.34 38.67 1iqk n TYR 130 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1iqk s PRO 131 N -1.52 2.91 0.62 -0.72 0.02 -1.26 -4.98 135.00 130.07 1iqk s PRO 131 Ca 0.30 2.20 -0.14 0.00 0.02 0.00 0.00 61.00 63.38 1iqk s PRO 131 Cb 0.02 -2.11 -0.03 0.00 0.02 0.00 0.00 34.50 32.40 1iqk s PRO 131 CO -0.13 -1.36 1.05 0.00 -0.33 0.00 0.00 177.00 176.23 1iqk n GLY 133 N -1.37 2.86 3.75 0.00 0.00 -1.26 -4.99 105.19 104.19 1iqk n GLY 133 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1iqk n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqk s LYS 134 N 0.00 4.13 0.02 1.61 -0.14 -1.23 -5.06 119.74 119.07 1iqk s LYS 134 Ca 0.00 0.00 -0.30 0.00 -1.36 0.00 0.00 55.97 54.31 1iqk s LYS 134 Cb 0.00 -3.39 -0.05 0.00 -1.68 0.00 0.00 37.83 32.71 1iqk s LYS 134 CO 0.00 0.34 1.25 -0.65 -0.76 0.00 0.00 175.35 175.53 1iqk s GLN 135 N 0.19 4.37 0.42 1.68 -0.21 -1.26 -4.90 119.66 119.94 1iqk s GLN 135 Ca 0.14 1.80 -0.26 0.00 0.02 0.00 0.00 55.36 57.06 1iqk s GLN 135 Cb -0.13 -3.45 -0.10 0.00 1.00 0.00 0.00 33.01 30.34 1iqk s GLN 135 CO 0.03 -0.39 1.33 0.25 -2.12 0.00 0.00 175.29 174.39 1iqk n THR 136 N 4.29 2.53 -0.46 -0.19 -2.24 -1.26 -5.16 114.28 111.79 1iqk n THR 136 Ca 0.11 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1iqk n THR 136 Cb 0.45 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 1iqk n THR 136 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68