#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqm n LEU 88 N 0.00 -1.03 0.00 3.14 7.94 -1.26 -4.86 117.00 120.93 1iqm n LEU 88 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1iqm n LEU 88 Cb 0.00 -0.52 0.00 0.00 0.53 0.00 0.00 43.42 43.43 1iqm n LEU 88 CO 0.00 0.00 0.37 0.00 -1.11 0.00 0.00 177.39 176.65 1iqm h SER 90 N 0.00 0.00 0.00 0.00 0.02 -1.92 -2.58 113.55 109.08 1iqm h SER 90 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1iqm h SER 90 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1iqm h SER 90 CO 0.00 0.84 0.00 -0.11 -1.14 0.00 0.00 176.83 176.42 1iqm n LEU 91 N -3.08 0.00 -2.79 5.07 -0.00 0.14 -4.33 117.00 112.01 1iqm n LEU 91 Ca -0.10 0.87 -0.10 0.00 -0.00 0.00 0.00 56.01 56.68 1iqm n LEU 91 Cb 0.94 -0.37 0.06 0.00 -0.00 0.00 0.00 43.42 44.06 1iqm n LEU 91 CO 0.44 -0.37 0.19 -0.67 -0.00 0.00 0.00 177.39 176.98 1iqm n ASP 92 N -2.19 -0.75 -1.79 1.96 2.03 -1.26 -4.92 116.55 109.64 1iqm n ASP 92 Ca 0.00 -2.94 -0.20 0.00 0.52 0.00 0.00 54.79 52.18 1iqm n ASP 92 Cb 0.00 0.60 -0.06 0.00 -0.72 0.00 0.00 41.12 40.94 1iqm n ASP 92 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1iqm n ASN 93 N -0.07 -5.46 -1.16 1.67 5.15 -0.97 -1.57 115.26 112.84 1iqm n ASN 93 Ca 0.07 0.29 -0.15 0.00 -0.60 0.00 0.00 54.58 54.19 1iqm n ASN 93 Cb 0.77 -4.62 -0.06 0.00 -0.53 0.00 0.00 39.78 35.34 1iqm n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1iqm n GLY 94 N -0.74 1.52 2.42 8.20 0.00 -1.24 -2.05 105.19 113.30 1iqm n GLY 94 Ca -0.21 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.55 1iqm n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iqm n ASP 95 N -0.68 -4.41 -4.67 1.61 2.03 -0.61 -5.01 116.55 104.81 1iqm n ASP 95 Ca -0.15 0.12 -0.29 0.00 0.52 0.00 0.00 54.79 54.99 1iqm n ASP 95 Cb 0.53 -2.35 0.13 0.00 -0.72 0.00 0.00 41.12 38.71 1iqm n ASP 95 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iqm n ASP 97 N -3.64 0.70 0.00 0.00 10.43 -1.00 -4.96 116.55 118.08 1iqm n ASP 97 Ca 0.09 0.22 0.00 0.00 2.57 0.00 0.00 54.79 57.67 1iqm n ASP 97 Cb 0.60 0.25 0.00 0.00 1.84 0.00 0.00 41.12 43.81 1iqm n ASP 97 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1iqm n GLN 98 N -2.98 0.00 -1.80 -1.24 6.02 -1.26 -4.99 117.38 111.13 1iqm n GLN 98 Ca -0.26 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.32 1iqm n GLN 98 Cb 1.09 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 32.34 1iqm n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1iqm s PHE 99 N 2.15 2.63 -0.07 1.08 0.08 -1.03 -4.90 117.98 117.91 1iqm s PHE 99 Ca 0.00 1.08 0.00 0.00 0.12 0.00 0.00 56.93 58.14 1iqm s PHE 99 Cb 0.00 -4.03 0.02 0.00 -0.57 0.00 0.00 43.02 38.44 1iqm s PHE 99 CO 0.00 -3.11 -0.06 0.00 -0.10 0.00 0.00 175.22 171.94 1iqm s HIS 101 N 1.28 1.81 -0.62 0.00 3.76 0.11 -4.96 115.29 116.67 1iqm s HIS 101 Ca -0.04 -0.35 0.15 0.00 -0.15 0.00 0.00 55.06 54.66 1iqm s HIS 101 Cb -0.14 -1.13 0.75 0.00 1.11 0.00 0.00 32.58 33.17 1iqm s HIS 101 CO -0.03 0.02 1.66 0.39 -0.85 0.00 0.00 174.74 175.93 1iqm n GLU 102 N 2.28 4.31 -1.00 1.40 1.02 -1.26 0.14 120.64 127.53 1iqm n GLU 102 Ca -0.16 -2.91 -0.35 0.00 -0.02 0.00 0.00 57.16 53.72 1iqm n GLU 102 Cb 0.53 -2.10 -0.03 0.00 -0.02 0.00 0.00 31.44 29.83 1iqm n GLU 102 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1iqm n GLU 103 N 0.79 0.00 0.00 3.49 1.02 -1.26 -4.34 120.64 120.34 1iqm n GLU 103 Ca 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 1iqm n GLU 103 Cb 1.04 -0.75 0.00 0.00 -0.02 0.00 0.00 31.44 31.72 1iqm n GLU 103 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1iqm n GLN 104 N 0.75 0.00 0.08 3.49 0.00 -1.26 -3.52 117.38 116.92 1iqm n GLN 104 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 57.00 57.12 1iqm n GLN 104 Cb 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.36 1iqm n GLN 104 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.06 174.11 1iqm h ASN 105 N 6.38 0.00 -3.52 2.61 -1.07 -2.02 -3.48 115.58 114.49 1iqm h ASN 105 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 56.32 1iqm h ASN 105 Cb 0.00 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.26 1iqm h ASN 105 CO 0.00 0.64 0.01 -1.54 0.07 0.00 0.00 177.43 176.62 1iqm n SER 106 N -3.11 0.16 -4.94 6.14 3.41 -1.23 -4.66 113.62 109.40 1iqm n SER 106 Ca -0.04 -1.13 -0.26 0.00 -0.26 0.00 0.00 58.87 57.18 1iqm n SER 106 Cb 0.83 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.67 1iqm n SER 106 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1iqm s VAL 107 N -0.14 5.21 -0.23 -3.33 1.01 -1.26 -4.03 120.40 117.62 1iqm s VAL 107 Ca 0.08 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 1iqm s VAL 107 Cb -0.00 -3.76 0.11 0.00 0.00 0.00 0.00 36.38 32.72 1iqm s VAL 107 CO 0.05 -0.23 0.25 -0.69 0.00 0.00 0.00 175.10 174.48 1iqm s VAL 108 N -1.93 -0.36 0.30 2.92 1.01 0.36 -4.92 120.40 117.78 1iqm s VAL 108 Ca 0.38 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 1iqm s VAL 108 Cb -0.11 -0.76 -0.06 0.00 0.00 0.00 0.00 36.38 35.45 1iqm s VAL 108 CO 0.30 -0.27 0.59 0.00 0.00 0.00 0.00 175.10 175.72 1iqm s SER 110 N -3.01 0.14 0.17 0.00 1.04 -0.87 -4.96 113.70 106.22 1iqm s SER 110 Ca 0.46 -1.06 0.02 0.00 0.48 0.00 0.00 55.95 55.85 1iqm s SER 110 Cb -0.11 0.69 -0.05 0.00 0.10 0.00 0.00 66.02 66.65 1iqm s SER 110 CO 0.28 -1.33 0.01 0.00 0.98 0.00 0.00 173.24 173.18 1iqm s ALA 112 N -3.67 1.30 0.39 0.00 0.00 -1.26 -4.87 121.76 113.64 1iqm s ALA 112 Ca 0.24 0.05 -0.28 0.00 0.00 0.00 0.00 51.96 51.98 1iqm s ALA 112 Cb 0.06 -3.25 -0.11 0.00 0.00 0.00 0.00 23.12 19.83 1iqm s ALA 112 CO 0.04 -2.59 1.49 0.54 0.00 0.00 0.00 175.76 175.25 1iqm n ARG 113 N -4.06 2.65 -0.07 0.00 3.00 -1.26 -2.19 116.66 114.74 1iqm n ARG 113 Ca 0.07 0.93 0.00 0.00 -0.01 0.00 0.00 57.85 58.84 1iqm n ARG 113 Cb 0.54 -2.68 0.00 0.00 0.00 0.00 0.00 32.46 30.32 1iqm n ARG 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1iqm n GLY 114 N 0.45 0.53 3.31 -0.13 0.00 -1.26 -4.71 105.19 103.38 1iqm n GLY 114 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 1iqm n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iqm s TYR 115 N -2.14 1.60 -0.01 1.61 1.51 -0.93 -2.79 117.35 116.21 1iqm s TYR 115 Ca 0.00 -0.59 0.05 0.00 -1.01 0.00 0.00 57.07 55.51 1iqm s TYR 115 Cb 0.00 -0.77 -0.01 0.00 -0.11 0.00 0.00 41.96 41.07 1iqm s TYR 115 CO 0.00 0.28 -0.15 0.95 -1.11 0.00 0.00 175.55 175.52 1iqm s THR 116 N -2.84 1.19 0.21 -0.71 -4.23 0.13 -4.83 115.64 104.55 1iqm s THR 116 Ca 0.19 -0.67 -0.30 0.00 -1.18 0.00 0.00 61.69 59.73 1iqm s THR 116 Cb -0.01 -0.99 -0.09 0.00 1.34 0.00 0.00 72.50 72.74 1iqm s THR 116 CO 0.05 0.32 1.37 -0.22 -0.54 0.00 0.00 174.62 175.60 1iqm s LEU 117 N -0.40 4.40 0.00 4.79 2.96 -1.26 -0.51 118.68 128.65 1iqm s LEU 117 Ca 0.06 2.49 -0.20 0.00 -0.22 0.00 0.00 54.13 56.25 1iqm s LEU 117 Cb -0.06 -3.61 0.31 0.00 0.50 0.00 0.00 46.19 43.33 1iqm s LEU 117 CO -0.00 -0.61 0.90 0.00 -1.32 0.00 0.00 176.35 175.32 1iqm n ALA 118 N 2.70 -3.83 0.04 5.97 0.00 0.10 -4.86 120.51 120.64 1iqm n ALA 118 Ca 0.07 -1.44 -0.03 0.00 0.00 0.00 0.00 53.44 52.04 1iqm n ALA 118 Cb 0.42 -0.11 0.20 0.00 0.00 0.00 0.00 19.45 19.95 1iqm n ALA 118 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1iqm h ASP 119 N -2.97 0.41 0.00 0.00 5.19 -1.95 -2.33 116.42 114.77 1iqm h ASP 119 Ca -0.37 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 1iqm h ASP 119 Cb 1.17 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.56 1iqm h ASP 119 CO 0.23 0.73 0.00 -0.46 -3.12 0.00 0.00 179.24 176.62 1iqm n ASN 120 N -4.07 0.00 -0.65 6.45 0.23 -1.26 -4.87 115.26 111.10 1iqm n ASN 120 Ca -0.01 -1.20 -0.08 0.00 -0.53 0.00 0.00 54.58 52.76 1iqm n ASN 120 Cb 0.45 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.12 1iqm n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1iqm n GLY 121 N 0.78 0.83 0.97 4.83 0.00 -0.88 -4.75 105.19 106.97 1iqm n GLY 121 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 1iqm n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iqm n LYS 122 N -0.60 0.04 -2.18 1.61 5.02 -1.26 -4.18 118.16 116.61 1iqm n LYS 122 Ca -0.08 0.02 -0.35 0.00 -2.02 0.00 0.00 58.31 55.87 1iqm n LYS 122 Cb 0.55 -0.57 0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1iqm n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iqm s ALA 123 N -2.05 2.66 -0.11 7.82 0.00 -1.26 -2.37 121.76 126.44 1iqm s ALA 123 Ca -0.02 0.79 -0.02 0.00 0.00 0.00 0.00 51.96 52.71 1iqm s ALA 123 Cb 0.01 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1iqm s ALA 123 CO 0.03 -0.86 -0.04 0.00 0.00 0.00 0.00 175.76 174.89 1iqm s ILE 125 N -0.30 1.97 0.37 0.00 1.01 0.33 -4.91 121.20 119.67 1iqm s ILE 125 Ca 0.05 -0.94 -0.28 0.00 0.00 0.00 0.00 60.65 59.49 1iqm s ILE 125 Cb -0.13 -1.73 -0.10 0.00 0.01 0.00 0.00 42.46 40.51 1iqm s ILE 125 CO 0.02 0.53 1.41 -2.84 0.00 0.00 0.00 174.94 174.07 1iqm s PRO 126 N 0.70 4.12 -0.09 2.79 0.02 -1.26 -0.69 135.00 140.59 1iqm s PRO 126 Ca -0.10 2.41 0.13 0.00 0.02 0.00 0.00 61.00 63.45 1iqm s PRO 126 Cb -0.16 -2.94 0.32 0.00 0.02 0.00 0.00 34.50 31.74 1iqm s PRO 126 CO 0.01 -0.46 1.24 0.25 -0.33 0.00 0.00 177.00 177.71 1iqm n THR 127 N 0.45 1.67 -3.96 0.99 -2.24 -1.12 -4.89 114.28 105.19 1iqm n THR 127 Ca 0.01 -1.63 -0.09 0.00 -2.27 0.00 0.00 64.05 60.08 1iqm n THR 127 Cb 0.41 0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.64 1iqm n THR 127 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1iqm s GLY 128 N -1.80 0.39 0.40 3.38 0.00 -1.26 -5.06 107.32 103.37 1iqm s GLY 128 Ca 0.28 -0.74 0.19 0.00 0.00 0.00 0.00 44.72 44.45 1iqm s GLY 128 CO 0.07 -0.50 1.81 -2.55 0.00 0.00 0.00 173.10 171.93 1iqm h PRO 129 N 2.20 0.00 -2.52 2.90 0.11 -1.99 -3.37 132.00 129.33 1iqm h PRO 129 Ca -0.24 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.27 1iqm h PRO 129 Cb 1.25 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.97 1iqm h PRO 129 CO 0.33 0.33 -0.86 0.66 -0.21 0.00 0.00 178.00 178.24 1iqm n TYR 130 N -3.65 0.49 -2.65 0.65 4.01 -1.26 -5.11 117.16 109.64 1iqm n TYR 130 Ca -0.01 -3.65 -0.36 0.00 -0.16 0.00 0.00 57.90 53.72 1iqm n TYR 130 Cb 0.44 -0.08 -0.05 0.00 -0.31 0.00 0.00 39.34 39.34 1iqm n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1iqm s PRO 131 N -0.61 4.34 0.84 -0.72 0.04 -1.26 -5.01 135.00 132.62 1iqm s PRO 131 Ca 0.31 1.42 -0.13 0.00 0.04 0.00 0.00 61.00 62.64 1iqm s PRO 131 Cb 0.04 -2.62 0.05 0.00 0.04 0.00 0.00 34.50 32.00 1iqm s PRO 131 CO -0.17 0.03 0.81 0.00 0.04 0.00 0.00 177.00 177.71 1iqm n GLY 133 N 1.05 0.06 3.55 0.00 0.00 -1.26 -4.96 105.19 103.63 1iqm n GLY 133 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1iqm n GLY 133 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1iqm s LYS 134 N -1.53 3.81 0.12 1.61 2.47 -1.18 -5.07 119.74 119.96 1iqm s LYS 134 Ca 0.00 -0.44 -0.31 0.00 -1.56 0.00 0.00 55.97 53.67 1iqm s LYS 134 Cb 0.00 -3.09 -0.07 0.00 -1.46 0.00 0.00 37.83 33.20 1iqm s LYS 134 CO 0.00 0.21 1.28 -0.65 0.16 0.00 0.00 175.35 176.35 1iqm s GLN 135 N 0.51 4.40 -1.47 4.03 -0.21 -1.26 -4.91 119.66 120.74 1iqm s GLN 135 Ca 0.00 1.93 -0.13 0.00 0.02 0.00 0.00 55.36 57.18 1iqm s GLN 135 Cb -0.13 -3.27 0.03 0.00 1.00 0.00 0.00 33.01 30.63 1iqm s GLN 135 CO 0.02 -0.29 2.31 0.25 -2.12 0.00 0.00 175.29 175.46 1iqm n THR 136 N 3.54 3.62 1.67 -0.19 -2.24 -1.26 -5.16 114.28 114.26 1iqm n THR 136 Ca 0.09 -3.02 0.15 0.00 -2.27 0.00 0.00 64.05 58.99 1iqm n THR 136 Cb 0.44 -2.60 0.67 0.00 -2.10 0.00 0.00 70.33 66.74 1iqm n THR 136 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68