#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m37 n LEU 88 N 0.00 0.00 0.30 -0.35 4.77 -1.26 -0.20 117.00 120.26 3m37 n LEU 88 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.16 3m37 n LEU 88 Cb 0.00 0.00 0.92 0.00 -2.33 0.00 0.00 43.42 42.01 3m37 n LEU 88 CO 0.00 0.00 1.07 0.00 -1.33 0.00 0.00 177.39 177.13 3m37 n SER 90 N -3.29 0.34 -4.31 0.00 7.64 0.72 -3.01 113.62 111.71 3m37 n SER 90 Ca -0.02 0.32 -0.46 0.00 1.01 0.00 0.00 58.87 59.72 3m37 n SER 90 Cb 0.18 -0.33 -0.04 0.00 -1.01 0.00 0.00 64.21 63.00 3m37 n SER 90 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3m37 s LEU 91 N -3.43 6.31 -1.37 -3.43 0.20 -0.46 -4.58 118.68 111.92 3m37 s LEU 91 Ca 0.12 -1.98 -0.04 0.00 0.69 0.00 0.00 54.13 52.92 3m37 s LEU 91 Cb 0.17 -2.21 0.00 0.00 -0.43 0.00 0.00 46.19 43.72 3m37 s LEU 91 CO 0.60 -0.80 0.45 -0.67 -0.29 0.00 0.00 176.35 175.63 3m37 n ASP 92 N 4.98 -1.02 -2.20 3.68 2.03 -1.26 -0.98 116.55 121.79 3m37 n ASP 92 Ca -0.08 -1.04 -0.10 0.00 0.52 0.00 0.00 54.79 54.09 3m37 n ASP 92 Cb 0.42 -2.94 -0.01 0.00 -0.72 0.00 0.00 41.12 37.87 3m37 n ASP 92 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3m37 n ASN 93 N -2.91 -3.20 -1.45 1.67 5.15 -1.16 -0.62 115.26 112.74 3m37 n ASN 93 Ca -0.28 0.25 -0.18 0.00 -0.60 0.00 0.00 54.58 53.77 3m37 n ASN 93 Cb 0.67 -2.82 -0.08 0.00 -0.53 0.00 0.00 39.78 37.03 3m37 n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3m37 n GLY 94 N -0.62 1.69 2.40 8.20 0.00 -0.15 -1.57 105.19 115.14 3m37 n GLY 94 Ca -0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 3m37 n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3m37 n ASP 95 N -1.01 -4.37 -4.81 1.61 4.64 0.21 -4.99 116.55 107.83 3m37 n ASP 95 Ca -0.19 0.12 -0.35 0.00 -1.38 0.00 0.00 54.79 52.99 3m37 n ASP 95 Cb 0.61 -2.30 -0.07 0.00 -1.04 0.00 0.00 41.12 38.33 3m37 n ASP 95 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3m37 h ASP 97 N 2.64 0.82 0.00 0.00 5.19 -1.59 -3.47 116.42 120.01 3m37 h ASP 97 Ca -0.48 -0.55 0.00 0.00 -0.62 0.00 0.00 57.03 55.38 3m37 h ASP 97 Cb 1.19 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.46 3m37 h ASP 97 CO 0.64 1.22 0.00 0.00 -3.12 0.00 0.00 179.24 177.98 3m37 n GLN 98 N -4.13 0.00 -1.98 3.56 6.02 -1.26 -5.01 117.38 114.58 3m37 n GLN 98 Ca -0.05 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.53 3m37 n GLN 98 Cb 0.59 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.83 3m37 n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3m37 s PHE 99 N 2.19 2.87 -0.07 1.08 0.08 -0.72 -4.89 117.98 118.52 3m37 s PHE 99 Ca 0.00 1.24 0.01 0.00 0.12 0.00 0.00 56.93 58.30 3m37 s PHE 99 Cb 0.00 -3.84 0.02 0.00 -0.57 0.00 0.00 43.02 38.63 3m37 s PHE 99 CO 0.00 -2.45 -0.09 0.00 -0.10 0.00 0.00 175.22 172.58 3m37 s HIS 101 N 0.93 1.66 -0.23 0.00 3.76 0.21 -4.98 115.29 116.64 3m37 s HIS 101 Ca -0.10 -0.62 0.01 0.00 -0.15 0.00 0.00 55.06 54.19 3m37 s HIS 101 Cb -0.15 -0.80 0.04 0.00 1.11 0.00 0.00 32.58 32.78 3m37 s HIS 101 CO 0.01 0.30 -0.12 -1.21 -0.85 0.00 0.00 174.74 172.87 3m37 s GLU 102 N -3.67 2.67 -0.08 1.40 2.02 -1.26 -0.44 118.70 119.35 3m37 s GLU 102 Ca 0.22 -1.06 0.03 0.00 0.02 0.00 0.00 54.97 54.18 3m37 s GLU 102 Cb 0.00 -2.83 0.01 0.00 0.10 0.00 0.00 34.13 31.41 3m37 s GLU 102 CO 0.06 -0.41 -0.16 -1.21 0.02 0.00 0.00 175.26 173.57 3m37 s GLU 103 N 1.24 2.10 -1.73 1.61 2.02 0.35 -4.67 118.70 119.62 3m37 s GLU 103 Ca -0.02 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.42 3m37 s GLU 103 Cb -0.17 -1.67 0.00 0.00 0.10 0.00 0.00 34.13 32.39 3m37 s GLU 103 CO -0.07 0.07 0.00 1.04 0.02 0.00 0.00 175.26 176.32 3m37 n GLN 104 N 3.72 -1.73 -2.71 1.61 1.13 -1.26 -0.79 117.38 117.36 3m37 n GLN 104 Ca -0.22 0.98 -0.17 0.00 -1.94 0.00 0.00 57.00 55.66 3m37 n GLN 104 Cb 0.52 -5.64 0.02 0.00 0.11 0.00 0.00 30.24 25.25 3m37 n GLN 104 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3m37 n ASN 105 N -1.99 -4.92 -4.08 1.08 5.15 -1.26 -5.01 115.26 104.23 3m37 n ASN 105 Ca -0.24 -0.17 -0.11 0.00 -0.60 0.00 0.00 54.58 53.46 3m37 n ASN 105 Cb 0.68 -3.84 -0.11 0.00 -0.53 0.00 0.00 39.78 35.98 3m37 n ASN 105 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3m37 s SER 106 N -2.67 0.78 0.14 1.20 0.01 0.03 -5.09 113.70 108.10 3m37 s SER 106 Ca 0.18 -0.72 -0.30 0.00 1.31 0.00 0.00 55.95 56.42 3m37 s SER 106 Cb -0.08 0.08 -0.07 0.00 0.21 0.00 0.00 66.02 66.16 3m37 s SER 106 CO 0.22 -0.34 1.14 -0.69 0.41 0.00 0.00 173.24 173.98 3m37 s VAL 107 N -2.29 3.89 -0.13 3.43 1.01 -1.26 -0.50 120.40 124.56 3m37 s VAL 107 Ca -0.03 1.54 -0.02 0.00 0.00 0.00 0.00 61.98 63.47 3m37 s VAL 107 Cb -0.04 -3.98 0.04 0.00 0.00 0.00 0.00 36.38 32.40 3m37 s VAL 107 CO -0.02 0.22 0.01 -0.69 0.00 0.00 0.00 175.10 174.61 3m37 s VAL 108 N 0.17 0.54 0.25 2.92 1.01 0.42 -4.90 120.40 120.81 3m37 s VAL 108 Ca 0.52 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.19 3m37 s VAL 108 Cb -0.30 -0.83 -0.06 0.00 0.00 0.00 0.00 36.38 35.19 3m37 s VAL 108 CO 0.33 0.07 0.53 0.00 0.00 0.00 0.00 175.10 176.04 3m37 s SER 110 N -2.72 -0.06 0.26 0.00 1.04 -0.50 -4.94 113.70 106.79 3m37 s SER 110 Ca 0.45 -0.91 0.05 0.00 0.48 0.00 0.00 55.95 56.02 3m37 s SER 110 Cb -0.11 0.54 -0.06 0.00 0.10 0.00 0.00 66.02 66.49 3m37 s SER 110 CO 0.25 -1.06 -0.02 0.00 0.98 0.00 0.00 173.24 173.40 3m37 s ALA 112 N -3.23 2.14 0.37 0.00 0.00 -1.26 -4.91 121.76 114.87 3m37 s ALA 112 Ca 0.30 -0.13 -0.28 0.00 0.00 0.00 0.00 51.96 51.85 3m37 s ALA 112 Cb 0.05 -3.14 -0.11 0.00 0.00 0.00 0.00 23.12 19.93 3m37 s ALA 112 CO 0.11 -1.81 1.47 1.03 0.00 0.00 0.00 175.76 176.55 3m37 s ARG 113 N -5.09 4.14 0.00 0.00 0.52 -1.26 -2.15 118.95 115.12 3m37 s ARG 113 Ca 0.61 2.52 0.00 0.00 -0.52 0.00 0.00 55.73 58.35 3m37 s ARG 113 Cb -0.15 -2.98 0.00 0.00 0.52 0.00 0.00 34.95 32.33 3m37 s ARG 113 CO 0.55 -0.49 0.00 0.41 0.02 0.00 0.00 175.30 175.79 3m37 n GLY 114 N 0.58 0.45 3.27 -3.53 0.00 -1.26 -4.73 105.19 99.97 3m37 n GLY 114 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 3m37 n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m37 s TYR 115 N -2.07 1.68 -0.01 1.61 2.02 -0.91 -1.69 117.35 117.98 3m37 s TYR 115 Ca 0.00 -0.43 0.08 0.00 -0.37 0.00 0.00 57.07 56.35 3m37 s TYR 115 Cb 0.00 -0.92 -0.02 0.00 -0.40 0.00 0.00 41.96 40.62 3m37 s TYR 115 CO 0.00 0.18 -0.26 0.99 -1.57 0.00 0.00 175.55 174.89 3m37 s THR 116 N -1.26 2.06 0.04 -0.71 2.01 0.37 -4.79 115.64 113.36 3m37 s THR 116 Ca 0.06 -1.14 -0.30 0.00 0.31 0.00 0.00 61.69 60.61 3m37 s THR 116 Cb -0.10 -1.72 -0.06 0.00 0.01 0.00 0.00 72.50 70.64 3m37 s THR 116 CO 0.04 0.55 1.38 -0.22 -0.69 0.00 0.00 174.62 175.68 3m37 s LEU 117 N -0.69 4.34 0.97 4.42 2.96 -1.26 0.01 118.68 129.42 3m37 s LEU 117 Ca 0.10 2.16 -0.12 0.00 -0.22 0.00 0.00 54.13 56.05 3m37 s LEU 117 Cb -0.10 -3.57 0.17 0.00 0.50 0.00 0.00 46.19 43.19 3m37 s LEU 117 CO -0.01 -0.68 1.09 0.00 -1.32 0.00 0.00 176.35 175.43 3m37 s ALA 118 N 1.93 1.03 0.46 5.97 0.00 0.69 -4.85 121.76 127.00 3m37 s ALA 118 Ca 0.63 0.00 0.20 0.00 0.00 0.00 0.00 51.96 52.79 3m37 s ALA 118 Cb -0.33 -3.24 1.19 0.00 0.00 0.00 0.00 23.12 20.74 3m37 s ALA 118 CO 0.28 -2.79 1.93 -0.44 0.00 0.00 0.00 175.76 174.74 3m37 h ASP 119 N -1.87 0.25 0.00 0.00 3.45 -1.94 0.72 116.42 117.04 3m37 h ASP 119 Ca -0.52 0.02 0.00 0.00 0.43 0.00 0.00 57.03 56.96 3m37 h ASP 119 Cb 1.30 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 40.03 3m37 h ASP 119 CO 0.52 0.13 0.00 -0.46 -1.57 0.00 0.00 179.24 177.85 3m37 n ASN 120 N -4.44 0.00 -1.07 6.45 0.23 -1.26 -4.87 115.26 110.30 3m37 n ASN 120 Ca 0.14 -0.87 -0.14 0.00 -0.53 0.00 0.00 54.58 53.18 3m37 n ASN 120 Cb 0.61 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.25 3m37 n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3m37 n GLY 121 N 0.64 1.44 1.27 4.83 0.00 0.25 -4.81 105.19 108.80 3m37 n GLY 121 Ca 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3m37 n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m37 n LYS 122 N -2.40 0.00 -2.14 1.61 5.02 -1.26 -4.12 118.16 114.87 3m37 n LYS 122 Ca -0.14 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.83 3m37 n LYS 122 Cb 0.48 -0.34 -0.01 0.00 -0.02 0.00 0.00 35.03 35.15 3m37 n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m37 s ALA 123 N -1.94 2.92 -0.17 7.82 0.00 -1.26 -1.49 121.76 127.62 3m37 s ALA 123 Ca 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 51.96 52.17 3m37 s ALA 123 Cb 0.00 -3.16 -0.00 0.00 0.00 0.00 0.00 23.12 19.95 3m37 s ALA 123 CO 0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 175.76 175.06 3m37 s ILE 125 N 0.98 4.47 0.61 0.00 1.01 0.10 -4.87 121.20 123.51 3m37 s ILE 125 Ca -0.02 -0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.33 3m37 s ILE 125 Cb -0.15 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 3m37 s ILE 125 CO -0.02 0.36 1.19 -2.16 0.00 0.00 0.00 174.94 174.32 3m37 s PRO 126 N 1.31 2.91 -0.01 2.79 0.04 -1.26 -0.48 135.00 140.30 3m37 s PRO 126 Ca 0.05 1.75 0.18 0.00 0.04 0.00 0.00 61.00 63.03 3m37 s PRO 126 Cb -0.15 -1.93 -0.23 0.00 0.04 0.00 0.00 34.50 32.24 3m37 s PRO 126 CO 0.04 -1.24 0.65 0.25 0.04 0.00 0.00 177.00 176.74 3m37 n THR 127 N -1.76 0.00 -4.28 1.26 -2.24 -0.68 -4.84 114.28 101.73 3m37 n THR 127 Ca 0.13 -0.19 -0.18 0.00 -2.27 0.00 0.00 64.05 61.54 3m37 n THR 127 Cb 0.50 0.69 -0.09 0.00 -2.10 0.00 0.00 70.33 69.33 3m37 n THR 127 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3m37 s GLY 128 N -3.20 2.07 0.58 3.38 0.00 -1.26 -5.06 107.32 103.84 3m37 s GLY 128 Ca 0.02 -1.88 0.37 0.00 0.00 0.00 0.00 44.72 43.23 3m37 s GLY 128 CO 0.76 -1.49 2.09 -0.56 0.00 0.00 0.00 173.10 173.90 3m37 h PRO 129 N 2.26 0.00 -2.11 2.90 0.13 -2.00 -3.33 132.00 129.85 3m37 h PRO 129 Ca -0.30 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.27 3m37 h PRO 129 Cb 1.24 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.96 3m37 h PRO 129 CO 0.45 0.00 -0.88 0.66 -0.23 0.00 0.00 178.00 178.00 3m37 n TYR 130 N -3.07 1.84 -1.95 1.56 4.01 -1.26 -5.10 117.16 113.19 3m37 n TYR 130 Ca -0.00 -3.88 -0.36 0.00 -0.16 0.00 0.00 57.90 53.50 3m37 n TYR 130 Cb 0.24 -0.46 0.04 0.00 -0.31 0.00 0.00 39.34 38.85 3m37 n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3m37 s PRO 131 N -2.27 2.89 0.63 -0.72 0.04 -1.25 -4.95 135.00 129.36 3m37 s PRO 131 Ca 0.40 1.78 -0.18 0.00 0.04 0.00 0.00 61.00 63.04 3m37 s PRO 131 Cb 0.22 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.82 3m37 s PRO 131 CO -0.08 -1.26 1.28 0.00 0.04 0.00 0.00 177.00 176.98 3m37 n GLY 133 N 0.80 0.72 3.46 0.00 0.00 -1.26 -5.01 105.19 103.90 3m37 n GLY 133 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3m37 n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m37 s LYS 134 N -0.22 3.64 0.61 1.61 -0.14 -1.19 -5.08 119.74 118.97 3m37 s LYS 134 Ca 0.00 -0.51 -0.19 0.00 -1.36 0.00 0.00 55.97 53.91 3m37 s LYS 134 Cb 0.00 -3.09 -0.03 0.00 -1.68 0.00 0.00 37.83 33.04 3m37 s LYS 134 CO 0.00 0.03 1.25 -0.65 -0.76 0.00 0.00 175.35 175.22 3m37 s GLN 135 N 0.96 2.83 -1.07 1.68 -0.21 -1.26 -4.92 119.66 117.67 3m37 s GLN 135 Ca 0.02 1.94 -0.11 0.00 0.02 0.00 0.00 55.36 57.23 3m37 s GLN 135 Cb -0.14 -1.92 0.25 0.00 1.00 0.00 0.00 33.01 32.20 3m37 s GLN 135 CO 0.02 -1.35 1.08 0.95 -2.12 0.00 0.00 175.29 173.87 3m37 s THR 136 N -1.49 5.81 -0.82 -0.19 -4.23 -1.26 -4.93 115.64 108.52 3m37 s THR 136 Ca 0.79 -3.13 0.01 0.00 -1.18 0.00 0.00 61.69 58.18 3m37 s THR 136 Cb -0.34 -4.62 0.21 0.00 1.34 0.00 0.00 72.50 69.10 3m37 s THR 136 CO 0.36 -1.21 0.72 0.18 -0.54 0.00 0.00 174.62 174.13 3m37 n LEU 137 N 3.32 3.88 0.00 4.79 4.77 -1.26 -5.30 117.00 127.20 3m37 n LEU 137 Ca 0.23 -5.19 0.00 0.00 -0.03 0.00 0.00 56.01 51.02 3m37 n LEU 137 Cb 0.41 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 3m37 n LEU 137 CO 0.46 1.68 0.00 -1.84 -1.33 0.00 0.00 177.39 176.36