#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqh n LEU 88 N 0.00 -4.40 -0.17 3.14 7.94 -1.26 -4.80 117.00 117.45 1iqh n LEU 88 Ca 0.00 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 1iqh n LEU 88 Cb 0.00 -2.24 0.00 0.00 0.53 0.00 0.00 43.42 41.71 1iqh n LEU 88 CO 0.00 -2.11 0.36 0.00 -1.11 0.00 0.00 177.39 174.53 1iqh n SER 90 N -0.31 1.84 -0.21 0.00 7.64 -1.26 -3.12 113.62 118.20 1iqh n SER 90 Ca 0.00 0.17 -0.10 0.00 1.01 0.00 0.00 58.87 59.95 1iqh n SER 90 Cb 0.07 -0.60 -0.08 0.00 -1.01 0.00 0.00 64.21 62.59 1iqh n SER 90 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1iqh h LEU 91 N 0.05 -1.60 -5.05 -3.43 7.12 -1.85 -3.37 115.31 107.18 1iqh h LEU 91 Ca -0.44 0.22 -0.22 0.00 0.13 0.00 0.00 57.88 57.58 1iqh h LEU 91 Cb 2.02 0.68 -0.16 0.00 -0.53 0.00 0.00 40.66 42.67 1iqh h LEU 91 CO 0.06 -0.26 -0.52 -0.67 -0.13 0.00 0.00 178.44 176.92 1iqh n ASP 92 N -4.81 -2.89 -1.77 1.25 2.03 -1.26 -4.90 116.55 104.19 1iqh n ASP 92 Ca -0.01 -3.20 -0.07 0.00 0.52 0.00 0.00 54.79 52.03 1iqh n ASP 92 Cb 0.24 1.71 -0.02 0.00 -0.72 0.00 0.00 41.12 42.33 1iqh n ASP 92 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1iqh n ASN 93 N 1.92 -2.32 -0.20 1.67 5.15 -1.18 0.14 115.26 120.43 1iqh n ASN 93 Ca 0.12 0.24 -0.03 0.00 -0.60 0.00 0.00 54.58 54.31 1iqh n ASN 93 Cb 0.61 -2.21 -0.01 0.00 -0.53 0.00 0.00 39.78 37.64 1iqh n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1iqh n GLY 94 N -0.38 0.44 2.09 8.20 0.00 -1.23 -2.41 105.19 111.90 1iqh n GLY 94 Ca -0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 1iqh n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iqh n ASP 95 N -0.50 -3.17 -4.94 1.61 2.03 0.12 -5.01 116.55 106.69 1iqh n ASP 95 Ca -0.03 0.07 -0.24 0.00 0.52 0.00 0.00 54.79 55.12 1iqh n ASP 95 Cb 0.33 -1.21 -0.01 0.00 -0.72 0.00 0.00 41.12 39.50 1iqh n ASP 95 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iqh n ASP 97 N -1.72 0.58 0.00 0.00 10.43 -0.78 -4.94 116.55 120.11 1iqh n ASP 97 Ca -0.05 0.01 0.00 0.00 2.57 0.00 0.00 54.79 57.32 1iqh n ASP 97 Cb 0.56 0.15 0.00 0.00 1.84 0.00 0.00 41.12 43.67 1iqh n ASP 97 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1iqh n GLN 98 N -1.85 0.00 -1.60 -1.24 6.02 -1.26 -4.97 117.38 112.49 1iqh n GLN 98 Ca 0.04 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.65 1iqh n GLN 98 Cb 0.39 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.70 1iqh n GLN 98 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1iqh n PHE 99 N 0.00 0.72 -3.94 1.08 3.72 -0.98 -4.89 117.46 113.16 1iqh n PHE 99 Ca 0.00 0.46 -0.10 0.00 -0.05 0.00 0.00 57.45 57.76 1iqh n PHE 99 Cb 0.00 -2.14 -0.11 0.00 -0.94 0.00 0.00 39.48 36.29 1iqh n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1iqh s HIS 101 N -1.28 0.11 -0.66 0.00 3.76 -0.63 -4.98 115.29 111.61 1iqh s HIS 101 Ca -0.14 -0.46 0.02 0.00 -0.15 0.00 0.00 55.06 54.33 1iqh s HIS 101 Cb -0.08 -0.04 0.37 0.00 1.11 0.00 0.00 32.58 33.93 1iqh s HIS 101 CO -0.00 -0.50 1.39 0.39 -0.85 0.00 0.00 174.74 175.17 1iqh n GLU 102 N 0.21 3.53 -1.06 1.40 1.02 -1.26 -0.65 120.64 123.83 1iqh n GLU 102 Ca -0.16 -4.39 -0.25 0.00 -0.02 0.00 0.00 57.16 52.34 1iqh n GLU 102 Cb 0.61 -2.29 -0.12 0.00 -0.02 0.00 0.00 31.44 29.62 1iqh n GLU 102 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1iqh n GLU 103 N -0.38 0.00 0.00 3.49 2.13 -0.95 -4.09 120.64 120.85 1iqh n GLU 103 Ca 0.42 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.24 1iqh n GLU 103 Cb 0.43 -0.94 0.00 0.00 0.27 0.00 0.00 31.44 31.20 1iqh n GLU 103 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iqh n GLN 104 N 5.31 0.00 -0.04 5.31 10.64 -1.26 -2.74 117.38 134.60 1iqh n GLN 104 Ca 0.47 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 55.61 1iqh n GLN 104 Cb 0.05 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.42 1iqh n GLN 104 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 1iqh n ASN 105 N 0.04 0.95 0.00 2.61 6.94 -1.26 -5.06 115.26 119.48 1iqh n ASN 105 Ca 0.00 0.37 0.00 0.00 -0.02 0.00 0.00 54.58 54.93 1iqh n ASN 105 Cb 0.00 -0.67 0.00 0.00 -2.36 0.00 0.00 39.78 36.75 1iqh n ASN 105 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1iqh n SER 106 N -3.48 0.31 -4.55 0.53 3.41 -1.11 -4.56 113.62 104.18 1iqh n SER 106 Ca -0.05 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.27 1iqh n SER 106 Cb 0.17 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.02 1iqh n SER 106 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1iqh s VAL 107 N 1.97 3.15 -0.05 -3.33 -7.23 -1.26 -2.24 120.40 111.41 1iqh s VAL 107 Ca 0.00 -1.44 0.04 0.00 -1.81 0.00 0.00 61.98 58.77 1iqh s VAL 107 Cb 0.00 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.46 1iqh s VAL 107 CO 0.00 0.06 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.00 1iqh s VAL 108 N -1.30 1.36 0.18 1.32 1.01 0.17 -4.89 120.40 118.25 1iqh s VAL 108 Ca 0.21 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.57 1iqh s VAL 108 Cb -0.10 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1iqh s VAL 108 CO 0.13 0.40 0.26 0.00 0.00 0.00 0.00 175.10 175.89 1iqh s SER 110 N -3.39 -0.24 0.37 0.00 1.04 -1.14 -4.94 113.70 105.40 1iqh s SER 110 Ca 0.34 -0.63 0.03 0.00 0.48 0.00 0.00 55.95 56.17 1iqh s SER 110 Cb -0.10 0.67 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 1iqh s SER 110 CO 0.27 -1.24 0.11 0.00 0.98 0.00 0.00 173.24 173.36 1iqh s ALA 112 N -3.29 0.96 1.32 0.00 0.00 -1.26 -4.93 121.76 114.57 1iqh s ALA 112 Ca 0.29 -0.94 -0.18 0.00 0.00 0.00 0.00 51.96 51.12 1iqh s ALA 112 Cb 0.05 -2.89 0.33 0.00 0.00 0.00 0.00 23.12 20.62 1iqh s ALA 112 CO 0.15 -3.29 0.97 1.03 0.00 0.00 0.00 175.76 174.62 1iqh s ARG 113 N -5.46 -2.11 0.00 0.00 3.00 -1.26 -2.79 118.95 110.33 1iqh s ARG 113 Ca 0.71 0.44 0.00 0.00 0.00 0.00 0.00 55.73 56.88 1iqh s ARG 113 Cb -0.09 -1.45 0.00 0.00 0.00 0.00 0.00 34.95 33.41 1iqh s ARG 113 CO 0.55 -4.41 0.00 0.41 0.00 0.00 0.00 175.30 171.85 1iqh n GLY 114 N 1.15 0.00 3.65 -3.53 0.00 -1.26 -4.81 105.19 100.39 1iqh n GLY 114 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1iqh n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iqh s TYR 115 N -0.97 1.87 -0.17 1.61 1.51 -1.12 -1.88 117.35 118.20 1iqh s TYR 115 Ca 0.00 -1.07 -0.13 0.00 -1.01 0.00 0.00 57.07 54.86 1iqh s TYR 115 Cb 0.00 -1.43 0.05 0.00 -0.11 0.00 0.00 41.96 40.47 1iqh s TYR 115 CO 0.00 0.03 0.45 0.95 -1.11 0.00 0.00 175.55 175.86 1iqh s THR 116 N -3.01 -0.01 0.14 -0.71 -4.23 -0.10 -4.81 115.64 102.91 1iqh s THR 116 Ca 0.15 0.04 -0.31 0.00 -1.18 0.00 0.00 61.69 60.38 1iqh s THR 116 Cb 0.03 -0.64 -0.09 0.00 1.34 0.00 0.00 72.50 73.14 1iqh s THR 116 CO 0.09 0.02 1.44 -0.22 -0.54 0.00 0.00 174.62 175.40 1iqh s LEU 117 N 0.77 4.37 0.00 4.79 2.96 -1.26 -0.61 118.68 129.70 1iqh s LEU 117 Ca -0.04 2.43 -0.16 0.00 -0.22 0.00 0.00 54.13 56.14 1iqh s LEU 117 Cb -0.05 -3.59 0.24 0.00 0.50 0.00 0.00 46.19 43.29 1iqh s LEU 117 CO -0.06 -0.70 0.68 0.00 -1.32 0.00 0.00 176.35 174.96 1iqh n ALA 118 N 3.81 -3.12 0.23 5.97 0.00 -1.06 -4.86 120.51 121.48 1iqh n ALA 118 Ca 0.12 -1.11 0.12 0.00 0.00 0.00 0.00 53.44 52.57 1iqh n ALA 118 Cb 0.41 -0.09 0.47 0.00 0.00 0.00 0.00 19.45 20.24 1iqh n ALA 118 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1iqh h ASP 119 N -2.74 0.00 -0.11 0.00 5.19 -1.94 -2.83 116.42 113.99 1iqh h ASP 119 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 1iqh h ASP 119 Cb 0.91 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.42 1iqh h ASP 119 CO 0.18 0.14 0.00 -0.46 -3.12 0.00 0.00 179.24 175.98 1iqh n ASN 120 N -3.24 0.85 0.00 6.45 0.23 -1.26 -4.85 115.26 113.44 1iqh n ASN 120 Ca 0.01 -2.03 0.00 0.00 -0.53 0.00 0.00 54.58 52.03 1iqh n ASN 120 Cb 0.42 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 37.95 1iqh n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1iqh n GLY 121 N 0.55 0.00 0.04 4.83 0.00 -1.07 -4.63 105.19 104.91 1iqh n GLY 121 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 1iqh n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iqh n LYS 122 N 0.18 0.28 -2.20 1.61 5.02 -1.26 -3.88 118.16 117.90 1iqh n LYS 122 Ca 0.00 0.04 -0.27 0.00 -2.02 0.00 0.00 58.31 56.06 1iqh n LYS 122 Cb 0.24 -1.15 0.16 0.00 -0.02 0.00 0.00 35.03 34.26 1iqh n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iqh s ALA 123 N -2.15 2.82 -0.06 7.82 0.00 -1.26 -1.87 121.76 127.06 1iqh s ALA 123 Ca -0.10 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.40 1iqh s ALA 123 Cb 0.03 -2.45 0.02 0.00 0.00 0.00 0.00 23.12 20.72 1iqh s ALA 123 CO 0.18 -2.09 -0.05 0.00 0.00 0.00 0.00 175.76 173.80 1iqh s ILE 125 N 1.22 2.50 0.17 0.00 1.01 0.22 -4.91 121.20 121.41 1iqh s ILE 125 Ca -0.06 -0.86 -0.31 0.00 0.00 0.00 0.00 60.65 59.42 1iqh s ILE 125 Cb -0.14 -2.01 -0.10 0.00 0.01 0.00 0.00 42.46 40.23 1iqh s ILE 125 CO -0.02 0.54 1.54 -2.84 0.00 0.00 0.00 174.94 174.16 1iqh s PRO 126 N 0.38 4.23 0.00 2.79 0.02 -1.26 -0.92 135.00 140.24 1iqh s PRO 126 Ca -0.15 2.33 0.21 0.00 0.02 0.00 0.00 61.00 63.41 1iqh s PRO 126 Cb -0.17 -3.16 0.58 0.00 0.02 0.00 0.00 34.50 31.77 1iqh s PRO 126 CO 0.07 -0.57 1.48 0.25 -0.33 0.00 0.00 177.00 177.90 1iqh n THR 127 N 3.79 0.85 -4.01 0.99 -2.24 -0.79 -4.93 114.28 107.94 1iqh n THR 127 Ca 0.13 -0.87 -0.13 0.00 -2.27 0.00 0.00 64.05 60.91 1iqh n THR 127 Cb 0.39 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 69.09 1iqh n THR 127 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1iqh s GLY 128 N -1.05 1.23 0.30 3.38 0.00 -1.26 -5.07 107.32 104.85 1iqh s GLY 128 Ca 0.44 -1.33 0.17 0.00 0.00 0.00 0.00 44.72 43.99 1iqh s GLY 128 CO 0.30 -0.81 1.43 -0.56 0.00 0.00 0.00 173.10 173.46 1iqh h PRO 129 N 2.06 0.00 -2.38 2.90 0.13 -1.98 -3.39 132.00 129.33 1iqh h PRO 129 Ca -0.30 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.24 1iqh h PRO 129 Cb 1.24 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.97 1iqh h PRO 129 CO 0.39 0.37 -0.80 0.66 -0.23 0.00 0.00 178.00 178.39 1iqh n TYR 130 N -3.16 1.59 -2.54 1.56 4.01 -1.26 -5.11 117.16 112.24 1iqh n TYR 130 Ca 0.02 -3.87 -0.38 0.00 -0.16 0.00 0.00 57.90 53.51 1iqh n TYR 130 Cb 0.69 -0.35 -0.04 0.00 -0.31 0.00 0.00 39.34 39.33 1iqh n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1iqh s PRO 131 N -1.39 4.34 0.62 -0.72 0.04 -1.26 -5.02 135.00 131.61 1iqh s PRO 131 Ca 0.34 1.58 -0.18 0.00 0.04 0.00 0.00 61.00 62.77 1iqh s PRO 131 Cb 0.09 -2.76 -0.02 0.00 0.04 0.00 0.00 34.50 31.85 1iqh s PRO 131 CO -0.11 -0.00 1.26 0.00 0.04 0.00 0.00 177.00 178.18 1iqh n GLY 133 N 0.73 2.86 3.77 0.00 0.00 -1.26 -5.02 105.19 106.27 1iqh n GLY 133 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1iqh n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqh s LYS 134 N -0.13 4.44 -0.13 1.61 -0.14 -1.18 -5.04 119.74 119.17 1iqh s LYS 134 Ca 0.00 0.99 -0.29 0.00 -1.36 0.00 0.00 55.97 55.30 1iqh s LYS 134 Cb 0.00 -3.31 -0.01 0.00 -1.68 0.00 0.00 37.83 32.83 1iqh s LYS 134 CO 0.00 0.45 1.12 -0.65 -0.76 0.00 0.00 175.35 175.50 1iqh s GLN 135 N -0.59 4.33 0.36 1.68 -0.21 -1.26 -4.94 119.66 119.03 1iqh s GLN 135 Ca 0.35 1.51 -0.27 0.00 0.02 0.00 0.00 55.36 56.97 1iqh s GLN 135 Cb -0.21 -3.61 -0.12 0.00 1.00 0.00 0.00 33.01 30.08 1iqh s GLN 135 CO 0.22 -0.49 1.25 0.25 -2.12 0.00 0.00 175.29 174.40 1iqh n THR 136 N 4.88 2.16 -1.90 -0.19 -2.24 -1.26 -5.18 114.28 110.56 1iqh n THR 136 Ca 0.11 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1iqh n THR 136 Cb 0.47 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 1iqh n THR 136 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68