#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqf n LEU 88 N 0.00 -6.49 -1.05 3.14 7.94 -1.26 -4.51 117.00 114.78 1iqf n LEU 88 Ca 0.00 -0.23 0.00 0.00 -1.11 0.00 0.00 56.01 54.67 1iqf n LEU 88 Cb 0.00 -3.28 0.00 0.00 0.53 0.00 0.00 43.42 40.67 1iqf n LEU 88 CO 0.00 -0.82 0.34 0.00 -1.11 0.00 0.00 177.39 175.80 1iqf n SER 90 N 0.75 0.29 0.05 0.00 3.41 -1.26 -4.11 113.62 112.74 1iqf n SER 90 Ca 0.00 -1.12 -0.12 0.00 -0.26 0.00 0.00 58.87 57.37 1iqf n SER 90 Cb 0.32 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.18 1iqf n SER 90 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1iqf h LEU 91 N 0.00 -0.15 -5.00 1.04 7.12 -1.66 -3.41 115.31 113.25 1iqf h LEU 91 Ca 0.00 -0.39 -0.22 0.00 0.13 0.00 0.00 57.88 57.40 1iqf h LEU 91 Cb 0.78 0.04 -0.15 0.00 -0.53 0.00 0.00 40.66 40.80 1iqf h LEU 91 CO 0.00 0.36 -0.35 -0.67 -0.13 0.00 0.00 178.44 177.66 1iqf n ASP 92 N -4.93 -1.98 -2.39 1.25 2.03 -1.26 -4.91 116.55 104.36 1iqf n ASP 92 Ca -0.08 -2.72 -0.19 0.00 0.52 0.00 0.00 54.79 52.32 1iqf n ASP 92 Cb 0.27 1.24 0.02 0.00 -0.72 0.00 0.00 41.12 41.92 1iqf n ASP 92 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1iqf n ASN 93 N -0.35 -5.41 -1.92 1.67 5.15 -1.26 -1.28 115.26 111.87 1iqf n ASN 93 Ca -0.02 -0.15 -0.15 0.00 -0.60 0.00 0.00 54.58 53.66 1iqf n ASN 93 Cb 0.81 -4.34 -0.04 0.00 -0.53 0.00 0.00 39.78 35.68 1iqf n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1iqf n GLY 94 N -1.26 0.52 2.57 8.20 0.00 -1.26 -0.25 105.19 113.71 1iqf n GLY 94 Ca -0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 1iqf n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iqf n ASP 95 N -1.28 -5.48 -4.78 1.61 2.03 -0.40 -4.95 116.55 103.30 1iqf n ASP 95 Ca -0.17 0.45 -0.27 0.00 0.52 0.00 0.00 54.79 55.32 1iqf n ASP 95 Cb 0.57 -4.73 0.09 0.00 -0.72 0.00 0.00 41.12 36.33 1iqf n ASP 95 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iqf n ASP 97 N -3.13 0.16 0.00 0.00 10.43 -1.19 -4.93 116.55 117.89 1iqf n ASP 97 Ca 0.10 0.07 0.00 0.00 2.57 0.00 0.00 54.79 57.53 1iqf n ASP 97 Cb 0.60 1.08 0.00 0.00 1.84 0.00 0.00 41.12 44.64 1iqf n ASP 97 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1iqf n GLN 98 N -2.66 0.00 -1.45 -1.24 6.02 -1.26 -5.03 117.38 111.76 1iqf n GLN 98 Ca -0.22 0.00 -0.57 0.00 -0.01 0.00 0.00 57.00 56.20 1iqf n GLN 98 Cb 0.97 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 32.15 1iqf n GLN 98 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1iqf n PHE 99 N 0.00 1.02 -4.58 1.08 3.72 -1.20 -4.87 117.46 112.62 1iqf n PHE 99 Ca 0.00 0.99 -0.34 0.00 -0.05 0.00 0.00 57.45 58.05 1iqf n PHE 99 Cb 0.00 -1.93 -0.11 0.00 -0.94 0.00 0.00 39.48 36.50 1iqf n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1iqf s HIS 101 N -0.75 0.34 0.02 0.00 3.76 -1.15 -4.98 115.29 112.52 1iqf s HIS 101 Ca 0.11 -0.29 0.03 0.00 -0.15 0.00 0.00 55.06 54.76 1iqf s HIS 101 Cb -0.11 -0.22 -0.04 0.00 1.11 0.00 0.00 32.58 33.32 1iqf s HIS 101 CO 0.02 -0.08 -0.02 -1.21 -0.85 0.00 0.00 174.74 172.60 1iqf s GLU 102 N -0.83 2.68 -0.49 1.40 2.02 -1.26 0.75 118.70 122.97 1iqf s GLU 102 Ca -0.07 -0.68 0.07 0.00 0.02 0.00 0.00 54.97 54.31 1iqf s GLU 102 Cb -0.06 -2.60 0.26 0.00 0.10 0.00 0.00 34.13 31.83 1iqf s GLU 102 CO -0.00 0.60 0.64 -1.91 0.02 0.00 0.00 175.26 174.61 1iqf n GLU 103 N 1.26 1.52 0.00 1.61 2.13 0.84 -4.93 120.64 123.07 1iqf n GLU 103 Ca -0.14 -3.84 0.00 0.00 0.66 0.00 0.00 57.16 53.84 1iqf n GLU 103 Cb 0.52 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.56 1iqf n GLU 103 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iqf n GLN 104 N 1.03 0.00 0.00 5.31 10.64 -1.26 -3.15 117.38 129.95 1iqf n GLN 104 Ca 0.25 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.42 1iqf n GLN 104 Cb 0.49 -0.95 0.00 0.00 -0.86 0.00 0.00 30.24 28.92 1iqf n GLN 104 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 1iqf n ASN 105 N 0.00 2.40 -3.25 2.61 6.94 -1.26 -5.00 115.26 117.70 1iqf n ASN 105 Ca 0.00 -0.02 -0.12 0.00 -0.02 0.00 0.00 54.58 54.42 1iqf n ASN 105 Cb 0.00 0.51 -0.02 0.00 -2.36 0.00 0.00 39.78 37.91 1iqf n ASN 105 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1iqf s SER 106 N -0.99 0.53 0.58 0.53 0.01 -1.19 -0.70 113.70 112.47 1iqf s SER 106 Ca 0.00 -1.31 -0.11 0.00 1.31 0.00 0.00 55.95 55.83 1iqf s SER 106 Cb 0.00 0.71 -0.05 0.00 0.21 0.00 0.00 66.02 66.89 1iqf s SER 106 CO 0.00 -1.39 0.99 0.68 0.41 0.00 0.00 173.24 173.92 1iqf s VAL 107 N -2.97 4.70 -0.36 3.43 -7.23 -1.26 -0.11 120.40 116.61 1iqf s VAL 107 Ca 0.25 0.86 0.04 0.00 -1.81 0.00 0.00 61.98 61.32 1iqf s VAL 107 Cb -0.02 -3.84 0.16 0.00 0.56 0.00 0.00 36.38 33.25 1iqf s VAL 107 CO 0.16 -1.01 0.44 -0.69 -0.31 0.00 0.00 175.10 173.70 1iqf s VAL 108 N -3.00 -0.57 0.76 1.32 1.01 0.23 -4.83 120.40 115.31 1iqf s VAL 108 Ca 0.55 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 1iqf s VAL 108 Cb -0.11 -0.62 0.05 0.00 0.00 0.00 0.00 36.38 35.70 1iqf s VAL 108 CO 0.48 -0.36 1.08 0.00 0.00 0.00 0.00 175.10 176.30 1iqf s SER 110 N -3.62 -0.24 0.20 0.00 1.04 -1.18 -4.98 113.70 104.93 1iqf s SER 110 Ca 0.60 -0.43 0.05 0.00 0.48 0.00 0.00 55.95 56.65 1iqf s SER 110 Cb -0.16 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 1iqf s SER 110 CO 0.55 -1.04 -0.06 0.00 0.98 0.00 0.00 173.24 173.67 1iqf n ALA 112 N -0.35 -1.13 -1.93 0.00 0.00 -1.26 -4.84 120.51 110.99 1iqf n ALA 112 Ca -0.07 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.39 1iqf n ALA 112 Cb 0.62 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.92 1iqf n ALA 112 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1iqf s ARG 113 N -4.42 4.19 0.00 0.00 3.00 -1.26 -2.54 118.95 117.92 1iqf s ARG 113 Ca 0.65 2.31 0.00 0.00 0.00 0.00 0.00 55.73 58.69 1iqf s ARG 113 Cb -0.23 -3.71 0.00 0.00 0.00 0.00 0.00 34.95 31.01 1iqf s ARG 113 CO 0.59 -0.76 0.00 0.41 0.00 0.00 0.00 175.30 175.54 1iqf n GLY 114 N 4.04 1.46 3.93 -3.53 0.00 -1.26 -4.81 105.19 105.02 1iqf n GLY 114 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1iqf n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iqf s TYR 115 N -0.91 1.74 -0.01 1.61 1.51 -1.05 -2.43 117.35 117.81 1iqf s TYR 115 Ca 0.00 -0.76 0.00 0.00 -1.01 0.00 0.00 57.07 55.30 1iqf s TYR 115 Cb 0.00 -2.02 0.02 0.00 -0.11 0.00 0.00 41.96 39.85 1iqf s TYR 115 CO 0.00 -0.57 0.02 0.95 -1.11 0.00 0.00 175.55 174.84 1iqf s THR 116 N -2.70 -0.02 0.16 -0.71 -4.23 -0.06 -4.88 115.64 103.19 1iqf s THR 116 Ca 0.42 0.13 -0.31 0.00 -1.18 0.00 0.00 61.69 60.75 1iqf s THR 116 Cb -0.03 -0.07 -0.09 0.00 1.34 0.00 0.00 72.50 73.65 1iqf s THR 116 CO 0.26 0.06 1.42 -0.22 -0.54 0.00 0.00 174.62 175.60 1iqf s LEU 117 N 0.67 4.38 1.16 4.79 2.96 -1.26 -1.00 118.68 130.38 1iqf s LEU 117 Ca -0.06 2.45 -0.17 0.00 -0.22 0.00 0.00 54.13 56.14 1iqf s LEU 117 Cb -0.08 -3.60 0.19 0.00 0.50 0.00 0.00 46.19 43.20 1iqf s LEU 117 CO -0.02 -0.68 0.38 0.00 -1.32 0.00 0.00 176.35 174.72 1iqf n ALA 118 N 3.49 -3.80 1.57 5.97 0.00 0.12 -4.83 120.51 123.03 1iqf n ALA 118 Ca 0.10 -1.29 0.02 0.00 0.00 0.00 0.00 53.44 52.27 1iqf n ALA 118 Cb 0.41 -1.69 0.06 0.00 0.00 0.00 0.00 19.45 18.23 1iqf n ALA 118 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iqf n ASP 119 N -3.00 0.72 -0.44 0.00 9.92 -1.26 -2.90 116.55 119.60 1iqf n ASP 119 Ca 0.01 -2.00 0.09 0.00 -0.53 0.00 0.00 54.79 52.36 1iqf n ASP 119 Cb 0.59 -0.09 0.19 0.00 -0.64 0.00 0.00 41.12 41.17 1iqf n ASP 119 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1iqf n ASN 120 N -0.11 3.01 0.00 -2.24 6.94 -1.26 -4.98 115.26 116.63 1iqf n ASN 120 Ca 0.04 -2.98 0.00 0.00 -0.02 0.00 0.00 54.58 51.62 1iqf n ASN 120 Cb 0.11 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.08 1iqf n ASN 120 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1iqf n GLY 121 N -0.94 0.00 0.81 4.83 0.00 -1.14 -4.70 105.19 104.05 1iqf n GLY 121 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 1iqf n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iqf n LYS 122 N -2.00 0.08 -0.82 1.61 5.02 -1.26 -4.07 118.16 116.72 1iqf n LYS 122 Ca 0.00 0.03 -0.31 0.00 -2.02 0.00 0.00 58.31 56.01 1iqf n LYS 122 Cb 0.00 -0.50 0.15 0.00 -0.02 0.00 0.00 35.03 34.66 1iqf n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iqf s ALA 123 N -2.21 1.61 -0.07 7.82 0.00 -1.26 -3.20 121.76 124.45 1iqf s ALA 123 Ca -0.04 0.59 0.03 0.00 0.00 0.00 0.00 51.96 52.54 1iqf s ALA 123 Cb 0.01 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1iqf s ALA 123 CO 0.06 -2.59 -0.17 0.00 0.00 0.00 0.00 175.76 173.07 1iqf s ILE 125 N 0.38 1.78 0.88 0.00 -0.00 -0.17 -4.91 121.20 119.16 1iqf s ILE 125 Ca -0.12 -0.92 -0.11 0.00 -0.00 0.00 0.00 60.65 59.50 1iqf s ILE 125 Cb -0.15 -1.51 0.13 0.00 -0.00 0.00 0.00 42.46 40.93 1iqf s ILE 125 CO 0.05 0.50 1.15 -2.84 -0.00 0.00 0.00 174.94 173.80 1iqf s PRO 126 N -0.11 1.23 -0.19 0.37 0.02 -1.26 -0.89 135.00 134.18 1iqf s PRO 126 Ca -0.03 1.56 -0.14 0.00 0.02 0.00 0.00 61.00 62.41 1iqf s PRO 126 Cb -0.12 -1.75 -0.07 0.00 0.02 0.00 0.00 34.50 32.57 1iqf s PRO 126 CO 0.03 -2.48 -0.31 0.25 -0.33 0.00 0.00 177.00 174.16 1iqf n THR 127 N -4.01 1.42 -2.53 0.99 -2.24 -1.02 -4.79 114.28 102.10 1iqf n THR 127 Ca 0.12 -0.03 -0.23 0.00 -2.27 0.00 0.00 64.05 61.64 1iqf n THR 127 Cb 0.52 -2.09 0.12 0.00 -2.10 0.00 0.00 70.33 66.78 1iqf n THR 127 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iqf n GLY 128 N 1.61 0.43 0.19 3.38 0.00 -1.26 -5.04 105.19 104.51 1iqf n GLY 128 Ca -0.27 -2.00 0.10 0.00 0.00 0.00 0.00 46.02 43.85 1iqf n GLY 128 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iqf h PRO 129 N 0.00 0.00 -3.03 1.61 0.13 -1.99 -3.40 132.00 125.32 1iqf h PRO 129 Ca -0.33 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.18 1iqf h PRO 129 Cb 1.19 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.91 1iqf h PRO 129 CO 0.34 0.11 -0.63 0.71 -0.23 0.00 0.00 178.00 178.30 1iqf s TYR 130 N -3.16 3.18 0.21 1.56 2.02 -1.26 -5.10 117.35 114.80 1iqf s TYR 130 Ca 0.05 -3.17 -0.18 0.00 -0.37 0.00 0.00 57.07 53.40 1iqf s TYR 130 Cb 0.06 -2.48 -0.08 0.00 -0.40 0.00 0.00 41.96 39.06 1iqf s TYR 130 CO 0.70 -0.61 0.69 -1.25 -1.57 0.00 0.00 175.55 173.51 1iqf s PRO 131 N -1.08 4.18 0.58 -1.71 0.04 -1.26 -5.04 135.00 130.71 1iqf s PRO 131 Ca 0.25 0.78 -0.19 0.00 0.04 0.00 0.00 61.00 61.88 1iqf s PRO 131 Cb -0.07 -2.88 -0.06 0.00 0.04 0.00 0.00 34.50 31.53 1iqf s PRO 131 CO -0.14 0.41 0.87 0.00 0.04 0.00 0.00 177.00 178.18 1iqf n GLY 133 N 1.39 2.83 3.54 0.00 0.00 -1.26 -5.01 105.19 106.68 1iqf n GLY 133 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1iqf n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqf s LYS 134 N -0.08 3.79 -0.11 1.61 -0.14 -1.08 -5.06 119.74 118.67 1iqf s LYS 134 Ca 0.00 -0.44 -0.29 0.00 -1.36 0.00 0.00 55.97 53.88 1iqf s LYS 134 Cb 0.00 -3.14 -0.05 0.00 -1.68 0.00 0.00 37.83 32.97 1iqf s LYS 134 CO 0.00 0.15 1.67 -0.65 -0.76 0.00 0.00 175.35 175.76 1iqf s GLN 135 N 0.67 4.01 -0.63 1.68 -0.21 -1.26 -4.88 119.66 119.04 1iqf s GLN 135 Ca 0.01 2.02 -0.26 0.00 0.02 0.00 0.00 55.36 57.16 1iqf s GLN 135 Cb -0.14 -4.02 -0.09 0.00 1.00 0.00 0.00 33.01 29.76 1iqf s GLN 135 CO 0.02 -1.04 2.36 0.95 -2.12 0.00 0.00 175.29 175.46 1iqf s THR 136 N 4.60 3.04 -2.16 -0.19 -4.23 -1.26 -5.17 115.64 110.27 1iqf s THR 136 Ca 0.74 -0.01 0.17 0.00 -1.18 0.00 0.00 61.69 61.42 1iqf s THR 136 Cb -0.31 -3.11 0.14 0.00 1.34 0.00 0.00 72.50 70.56 1iqf s THR 136 CO 0.30 -0.10 1.05 0.18 -0.54 0.00 0.00 174.62 175.50