#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqi n LEU 88 N 0.00 0.00 0.00 3.14 7.94 -1.26 -4.78 117.00 122.04 1iqi n LEU 88 Ca 0.00 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.93 1iqi n LEU 88 Cb 0.00 0.00 0.19 0.00 0.53 0.00 0.00 43.42 44.14 1iqi n LEU 88 CO 0.00 0.00 0.47 0.00 -1.11 0.00 0.00 177.39 176.75 1iqi h SER 90 N 0.00 0.16 0.00 0.00 0.02 -1.95 -3.23 113.55 108.56 1iqi h SER 90 Ca 0.00 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1iqi h SER 90 Cb 0.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1iqi h SER 90 CO 0.00 1.25 0.00 -0.11 -1.14 0.00 0.00 176.83 176.83 1iqi n LEU 91 N -3.25 0.00 -3.21 5.07 7.94 -0.38 -4.59 117.00 118.58 1iqi n LEU 91 Ca -0.17 0.31 -0.24 0.00 -1.11 0.00 0.00 56.01 54.80 1iqi n LEU 91 Cb 1.04 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.92 1iqi n LEU 91 CO 0.46 0.00 -0.25 -0.67 -1.11 0.00 0.00 177.39 175.82 1iqi n ASP 92 N -0.34 0.66 -4.26 1.96 2.03 -1.26 -4.90 116.55 110.44 1iqi n ASP 92 Ca 0.00 -2.81 -0.35 0.00 0.52 0.00 0.00 54.79 52.15 1iqi n ASP 92 Cb 0.00 -0.64 -0.05 0.00 -0.72 0.00 0.00 41.12 39.71 1iqi n ASP 92 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1iqi n ASN 93 N 1.23 -1.49 0.00 1.67 5.15 -1.22 0.26 115.26 120.86 1iqi n ASN 93 Ca 0.22 -1.12 0.00 0.00 -0.60 0.00 0.00 54.58 53.08 1iqi n ASN 93 Cb 0.53 -2.32 0.00 0.00 -0.53 0.00 0.00 39.78 37.46 1iqi n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1iqi n GLY 94 N -1.68 0.00 2.29 8.20 0.00 -1.25 0.28 105.19 113.04 1iqi n GLY 94 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1iqi n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iqi n ASP 95 N -0.41 -4.18 -3.61 1.61 2.03 0.72 -4.99 116.55 107.71 1iqi n ASP 95 Ca 0.00 0.23 -0.26 0.00 0.52 0.00 0.00 54.79 55.28 1iqi n ASP 95 Cb 0.36 -2.72 0.19 0.00 -0.72 0.00 0.00 41.12 38.24 1iqi n ASP 95 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iqi n ASP 97 N -4.02 0.98 0.00 0.00 10.43 -0.33 -4.93 116.55 118.68 1iqi n ASP 97 Ca 0.14 -0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.50 1iqi n ASP 97 Cb 0.51 0.88 0.00 0.00 1.84 0.00 0.00 41.12 44.35 1iqi n ASP 97 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1iqi n GLN 98 N -2.62 0.00 -1.63 -1.24 6.02 -1.26 -4.97 117.38 111.69 1iqi n GLN 98 Ca -0.27 0.00 -0.45 0.00 -0.01 0.00 0.00 57.00 56.27 1iqi n GLN 98 Cb 1.03 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.27 1iqi n GLN 98 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1iqi n PHE 99 N 0.00 1.68 -4.47 1.08 3.72 -0.32 -4.83 117.46 114.31 1iqi n PHE 99 Ca 0.00 0.60 -0.22 0.00 -0.05 0.00 0.00 57.45 57.78 1iqi n PHE 99 Cb 0.00 -2.34 -0.16 0.00 -0.94 0.00 0.00 39.48 36.04 1iqi n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1iqi s HIS 101 N 0.44 1.22 -0.03 0.00 3.76 0.26 -4.97 115.29 115.97 1iqi s HIS 101 Ca -0.08 -0.50 -0.04 0.00 -0.15 0.00 0.00 55.06 54.29 1iqi s HIS 101 Cb -0.12 -1.01 -0.15 0.00 1.11 0.00 0.00 32.58 32.41 1iqi s HIS 101 CO 0.02 -0.36 2.98 0.39 -0.85 0.00 0.00 174.74 176.92 1iqi n GLU 102 N 4.46 1.68 -1.59 1.40 1.02 -1.26 0.40 120.64 126.74 1iqi n GLU 102 Ca -0.17 -0.75 -0.47 0.00 -0.02 0.00 0.00 57.16 55.75 1iqi n GLU 102 Cb 0.51 -1.66 -0.03 0.00 -0.02 0.00 0.00 31.44 30.24 1iqi n GLU 102 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1iqi n GLU 103 N 2.01 1.31 0.00 3.49 2.13 -1.11 -4.59 120.64 123.88 1iqi n GLU 103 Ca 0.28 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.57 1iqi n GLU 103 Cb 0.75 -1.94 0.00 0.00 0.27 0.00 0.00 31.44 30.52 1iqi n GLU 103 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iqi n GLN 104 N 1.49 0.00 0.08 5.31 0.00 -1.26 -2.18 117.38 120.82 1iqi n GLN 104 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 57.00 57.09 1iqi n GLN 104 Cb 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.44 1iqi n GLN 104 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.06 174.11 1iqi h ASN 105 N 0.00 0.00 -4.88 2.61 -1.07 -2.00 -3.48 115.58 106.76 1iqi h ASN 105 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 56.30 56.09 1iqi h ASN 105 Cb 0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.24 1iqi h ASN 105 CO 0.00 0.82 -0.11 -0.24 0.07 0.00 0.00 177.43 177.98 1iqi n SER 106 N -3.28 1.66 -4.87 6.14 2.88 -0.93 -2.31 113.62 112.92 1iqi n SER 106 Ca -0.00 -1.91 -0.37 0.00 -1.33 0.00 0.00 58.87 55.25 1iqi n SER 106 Cb 0.88 -0.08 -0.06 0.00 -0.75 0.00 0.00 64.21 64.20 1iqi n SER 106 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1iqi s VAL 107 N -1.23 5.32 -0.16 2.46 0.11 -1.26 -2.74 120.40 122.91 1iqi s VAL 107 Ca 0.20 0.41 -0.03 0.00 -2.93 0.00 0.00 61.98 59.64 1iqi s VAL 107 Cb -0.02 -3.53 0.05 0.00 -1.53 0.00 0.00 36.38 31.36 1iqi s VAL 107 CO 0.13 0.57 0.03 -0.69 -3.33 0.00 0.00 175.10 171.81 1iqi s VAL 108 N -1.08 0.40 0.42 2.04 1.01 0.16 -4.92 120.40 118.43 1iqi s VAL 108 Ca 0.20 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 1iqi s VAL 108 Cb -0.14 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 1iqi s VAL 108 CO 0.09 -0.09 0.75 0.00 0.00 0.00 0.00 175.10 175.85 1iqi s SER 110 N -3.45 -0.39 0.43 0.00 1.04 -0.36 -4.96 113.70 106.01 1iqi s SER 110 Ca 0.49 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.59 1iqi s SER 110 Cb -0.10 0.66 -0.00 0.00 0.10 0.00 0.00 66.02 66.68 1iqi s SER 110 CO 0.35 -1.17 0.04 0.00 0.98 0.00 0.00 173.24 173.44 1iqi n ALA 112 N -1.47 -0.97 -2.56 0.00 0.00 -1.26 -4.88 120.51 109.38 1iqi n ALA 112 Ca -0.18 -1.67 -0.42 0.00 0.00 0.00 0.00 53.44 51.17 1iqi n ALA 112 Cb 0.57 0.03 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 1iqi n ALA 112 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1iqi s ARG 113 N -5.48 4.46 0.00 0.00 3.00 -1.26 -2.81 118.95 116.87 1iqi s ARG 113 Ca 0.68 1.59 0.00 0.00 0.00 0.00 0.00 55.73 57.99 1iqi s ARG 113 Cb -0.02 -3.44 0.00 0.00 0.00 0.00 0.00 34.95 31.48 1iqi s ARG 113 CO 0.47 -0.22 0.00 0.41 0.00 0.00 0.00 175.30 175.96 1iqi n GLY 114 N 3.11 1.38 3.83 -3.53 0.00 -1.26 -4.64 105.19 104.09 1iqi n GLY 114 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1iqi n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iqi s TYR 115 N -2.03 2.29 -0.08 1.61 1.51 -1.12 -2.43 117.35 117.09 1iqi s TYR 115 Ca 0.00 -0.65 -0.11 0.00 -1.01 0.00 0.00 57.07 55.30 1iqi s TYR 115 Cb 0.00 -2.00 0.03 0.00 -0.11 0.00 0.00 41.96 39.88 1iqi s TYR 115 CO 0.00 -0.12 0.28 0.95 -1.11 0.00 0.00 175.55 175.56 1iqi s THR 116 N -2.63 0.02 0.07 -0.71 -4.23 -0.76 -4.90 115.64 102.49 1iqi s THR 116 Ca 0.40 -0.13 -0.30 0.00 -1.18 0.00 0.00 61.69 60.48 1iqi s THR 116 Cb -0.00 -0.44 -0.05 0.00 1.34 0.00 0.00 72.50 73.35 1iqi s THR 116 CO 0.23 -0.07 1.01 -0.22 -0.54 0.00 0.00 174.62 175.03 1iqi s LEU 117 N -0.20 4.43 1.10 4.79 2.96 -1.26 -0.95 118.68 129.56 1iqi s LEU 117 Ca -0.03 1.80 -0.13 0.00 -0.22 0.00 0.00 54.13 55.55 1iqi s LEU 117 Cb -0.03 -3.58 0.25 0.00 0.50 0.00 0.00 46.19 43.33 1iqi s LEU 117 CO 0.01 -0.20 1.05 0.00 -1.32 0.00 0.00 176.35 175.89 1iqi s ALA 118 N 0.49 0.06 0.66 5.97 0.00 0.14 -4.82 121.76 124.26 1iqi s ALA 118 Ca 0.50 -0.19 0.37 0.00 0.00 0.00 0.00 51.96 52.65 1iqi s ALA 118 Cb -0.24 -3.21 2.05 0.00 0.00 0.00 0.00 23.12 21.72 1iqi s ALA 118 CO 0.30 -3.48 2.18 -0.44 0.00 0.00 0.00 175.76 174.31 1iqi h ASP 119 N -2.36 0.00 -0.42 0.00 3.45 -1.95 0.34 116.42 115.48 1iqi h ASP 119 Ca -0.59 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.87 1iqi h ASP 119 Cb 1.33 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.10 1iqi h ASP 119 CO 0.53 0.00 0.00 -0.46 -1.57 0.00 0.00 179.24 177.74 1iqi n ASN 120 N -3.11 2.41 -1.86 6.45 0.23 -1.26 -4.93 115.26 113.19 1iqi n ASN 120 Ca -0.02 -1.96 -0.17 0.00 -0.53 0.00 0.00 54.58 51.89 1iqi n ASN 120 Cb 0.21 -0.28 -0.05 0.00 -2.08 0.00 0.00 39.78 37.59 1iqi n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1iqi n GLY 121 N 1.23 0.81 0.66 4.83 0.00 0.11 -4.73 105.19 108.10 1iqi n GLY 121 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1iqi n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iqi n LYS 122 N -2.45 0.00 -2.94 1.61 5.02 -1.26 -4.24 118.16 113.91 1iqi n LYS 122 Ca -0.19 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.78 1iqi n LYS 122 Cb 0.60 -0.47 -0.07 0.00 -0.02 0.00 0.00 35.03 35.07 1iqi n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iqi s ALA 123 N -1.60 3.15 -0.17 7.82 0.00 -1.26 -1.18 121.76 128.51 1iqi s ALA 123 Ca 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.22 1iqi s ALA 123 Cb 0.00 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 1iqi s ALA 123 CO 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 175.76 175.86 1iqi s ILE 125 N 0.85 3.28 0.98 0.00 1.01 -0.12 -4.91 121.20 122.30 1iqi s ILE 125 Ca -0.03 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 59.71 1iqi s ILE 125 Cb -0.15 -2.36 0.18 0.00 0.01 0.00 0.00 42.46 40.14 1iqi s ILE 125 CO 0.00 0.48 1.09 -2.84 0.00 0.00 0.00 174.94 173.68 1iqi s PRO 126 N -1.08 0.54 0.00 2.79 0.02 -1.26 -1.83 135.00 134.17 1iqi s PRO 126 Ca 0.14 0.60 0.00 0.00 0.02 0.00 0.00 61.00 61.76 1iqi s PRO 126 Cb -0.11 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.67 1iqi s PRO 126 CO 0.04 -2.68 0.00 0.25 -0.33 0.00 0.00 177.00 174.28 1iqi n THR 127 N -4.15 0.00 -4.39 0.99 -2.24 -1.02 -4.81 114.28 98.67 1iqi n THR 127 Ca 0.05 -0.06 -0.19 0.00 -2.27 0.00 0.00 64.05 61.58 1iqi n THR 127 Cb 0.57 0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 69.12 1iqi n THR 127 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1iqi s GLY 128 N -0.96 1.75 0.36 3.38 0.00 -1.26 -5.04 107.32 105.55 1iqi s GLY 128 Ca 0.00 -1.87 0.27 0.00 0.00 0.00 0.00 44.72 43.12 1iqi s GLY 128 CO 0.00 -1.76 1.81 -2.55 0.00 0.00 0.00 173.10 170.61 1iqi h PRO 129 N 2.34 0.00 -2.65 2.90 0.11 -1.99 -3.36 132.00 129.35 1iqi h PRO 129 Ca -0.39 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.11 1iqi h PRO 129 Cb 1.23 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.94 1iqi h PRO 129 CO 0.66 0.00 -0.79 0.66 -0.21 0.00 0.00 178.00 178.32 1iqi n TYR 130 N -2.50 1.07 -2.65 0.65 4.01 -1.26 -5.11 117.16 111.37 1iqi n TYR 130 Ca 0.01 -3.78 -0.40 0.00 -0.16 0.00 0.00 57.90 53.57 1iqi n TYR 130 Cb 0.21 -0.18 -0.05 0.00 -0.31 0.00 0.00 39.34 39.01 1iqi n TYR 130 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1iqi s PRO 131 N -0.76 4.74 0.66 -0.72 0.02 -1.26 -5.02 135.00 132.65 1iqi s PRO 131 Ca 0.30 1.58 -0.18 0.00 0.02 0.00 0.00 61.00 62.72 1iqi s PRO 131 Cb 0.02 -3.19 -0.01 0.00 0.02 0.00 0.00 34.50 31.34 1iqi s PRO 131 CO -0.18 0.38 1.25 0.00 -0.33 0.00 0.00 177.00 178.12 1iqi n GLY 133 N 0.95 2.68 3.76 0.00 0.00 -1.26 -5.00 105.19 106.32 1iqi n GLY 133 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1iqi n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqi s LYS 134 N 0.00 4.19 0.10 1.61 -0.14 -1.15 -5.05 119.74 119.30 1iqi s LYS 134 Ca 0.00 0.38 -0.30 0.00 -1.36 0.00 0.00 55.97 54.69 1iqi s LYS 134 Cb 0.00 -3.36 -0.06 0.00 -1.68 0.00 0.00 37.83 32.73 1iqi s LYS 134 CO 0.00 0.35 1.20 -0.65 -0.76 0.00 0.00 175.35 175.50 1iqi s GLN 135 N 0.01 4.45 -0.40 1.68 -0.21 -1.26 -4.93 119.66 118.99 1iqi s GLN 135 Ca 0.24 1.81 -0.29 0.00 0.02 0.00 0.00 55.36 57.14 1iqi s GLN 135 Cb -0.15 -3.31 0.01 0.00 1.00 0.00 0.00 33.01 30.55 1iqi s GLN 135 CO 0.10 -0.21 1.43 0.95 -2.12 0.00 0.00 175.29 175.45 1iqi s THR 136 N 0.73 3.88 -1.56 -0.19 -4.23 -1.26 -5.15 115.64 107.85 1iqi s THR 136 Ca 0.57 0.90 0.12 0.00 -1.18 0.00 0.00 61.69 62.11 1iqi s THR 136 Cb -0.31 -4.17 0.10 0.00 1.34 0.00 0.00 72.50 69.46 1iqi s THR 136 CO 0.31 -0.73 0.90 0.00 -0.54 0.00 0.00 174.62 174.56