#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vwm s LYS 87 N 0.00 4.16 0.05 -0.14 2.20 -1.02 -5.00 119.74 119.99 2vwm s LYS 87 Ca 0.00 0.95 0.05 0.00 -0.36 0.00 0.00 55.97 56.61 2vwm s LYS 87 Cb 0.00 -2.35 -0.02 0.00 -1.51 0.00 0.00 37.83 33.95 2vwm s LYS 87 CO 0.00 0.08 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.41 2vwm s LEU 88 N -2.98 2.19 0.00 5.43 1.43 -1.26 -4.48 118.68 119.01 2vwm s LEU 88 Ca 0.57 -0.49 0.19 0.00 -1.03 0.00 0.00 54.13 53.37 2vwm s LEU 88 Cb -0.10 -0.64 0.90 0.00 0.03 0.00 0.00 46.19 46.38 2vwm s LEU 88 CO 0.16 0.03 1.59 0.00 0.23 0.00 0.00 176.35 178.36 2vwm n SER 90 N -1.36 2.00 -4.08 0.00 3.41 -1.26 -2.93 113.62 109.41 2vwm n SER 90 Ca 0.07 -1.68 -0.32 0.00 -0.26 0.00 0.00 58.87 56.69 2vwm n SER 90 Cb 0.17 -0.03 -0.15 0.00 -0.26 0.00 0.00 64.21 63.94 2vwm n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2vwm s LEU 91 N -1.91 3.28 -0.97 1.04 1.43 -1.17 -4.71 118.68 115.68 2vwm s LEU 91 Ca 0.35 -1.30 -0.02 0.00 -1.03 0.00 0.00 54.13 52.12 2vwm s LEU 91 Cb 0.20 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.90 2vwm s LEU 91 CO 0.32 -0.17 0.11 0.47 0.23 0.00 0.00 176.35 177.31 2vwm n ASP 92 N 4.45 -3.49 -2.77 2.29 8.00 -1.26 -1.69 116.55 122.09 2vwm n ASP 92 Ca -0.15 0.11 -0.21 0.00 0.71 0.00 0.00 54.79 55.25 2vwm n ASP 92 Cb 0.43 -2.97 0.01 0.00 -0.02 0.00 0.00 41.12 38.58 2vwm n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2vwm n ASN 93 N -1.87 -5.55 -1.64 -2.24 5.15 -1.15 -0.79 115.26 107.16 2vwm n ASN 93 Ca -0.10 -0.14 -0.19 0.00 -0.60 0.00 0.00 54.58 53.55 2vwm n ASN 93 Cb 0.58 -4.56 -0.07 0.00 -0.53 0.00 0.00 39.78 35.20 2vwm n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2vwm n GLY 94 N -1.22 1.35 2.91 8.20 0.00 -0.68 -0.86 105.19 114.89 2vwm n GLY 94 Ca -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2vwm n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vwm n ASP 95 N -1.24 -4.06 -4.78 1.61 8.00 0.02 -4.99 116.55 111.11 2vwm n ASP 95 Ca -0.20 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 54.95 2vwm n ASP 95 Cb 0.64 -2.44 -0.02 0.00 -0.02 0.00 0.00 41.12 39.28 2vwm n ASP 95 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vwm h ASP 97 N 1.66 0.45 0.00 0.00 5.19 -1.45 -3.47 116.42 118.80 2vwm h ASP 97 Ca -0.49 -0.32 0.00 0.00 -0.62 0.00 0.00 57.03 55.59 2vwm h ASP 97 Cb 1.24 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.62 2vwm h ASP 97 CO 0.59 1.09 0.00 0.00 -3.12 0.00 0.00 179.24 177.79 2vwm n GLN 98 N -3.78 0.00 -2.31 3.56 6.02 -1.26 -4.99 117.38 114.62 2vwm n GLN 98 Ca -0.05 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.56 2vwm n GLN 98 Cb 0.76 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.99 2vwm n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2vwm s PHE 99 N 2.26 3.07 -0.03 1.08 0.08 -0.64 -4.89 117.98 118.91 2vwm s PHE 99 Ca 0.00 1.56 0.01 0.00 0.12 0.00 0.00 56.93 58.62 2vwm s PHE 99 Cb 0.00 -3.38 0.01 0.00 -0.57 0.00 0.00 43.02 39.09 2vwm s PHE 99 CO 0.00 -1.28 -0.05 0.00 -0.10 0.00 0.00 175.22 173.79 2vwm s HIS 101 N 0.60 0.80 -0.15 0.00 3.76 -0.23 -4.97 115.29 115.11 2vwm s HIS 101 Ca -0.08 -0.51 -0.19 0.00 -0.15 0.00 0.00 55.06 54.13 2vwm s HIS 101 Cb -0.11 -0.47 -0.04 0.00 1.11 0.00 0.00 32.58 33.08 2vwm s HIS 101 CO -0.00 -0.05 0.54 -1.21 -0.85 0.00 0.00 174.74 173.17 2vwm s GLU 102 N -1.72 4.28 -0.05 1.40 2.02 -1.26 -0.36 118.70 123.01 2vwm s GLU 102 Ca -0.07 0.52 -0.01 0.00 0.02 0.00 0.00 54.97 55.42 2vwm s GLU 102 Cb -0.09 -3.50 0.03 0.00 0.10 0.00 0.00 34.13 30.66 2vwm s GLU 102 CO 0.01 -0.02 0.02 -2.00 0.02 0.00 0.00 175.26 173.29 2vwm s GLU 103 N 1.18 0.32 -1.14 1.61 2.12 0.73 -4.90 118.70 118.61 2vwm s GLU 103 Ca 0.27 0.20 -0.27 0.00 0.36 0.00 0.00 54.97 55.53 2vwm s GLU 103 Cb -0.16 -0.74 0.03 0.00 0.26 0.00 0.00 34.13 33.53 2vwm s GLU 103 CO 0.11 -0.29 0.69 1.04 -0.54 0.00 0.00 175.26 176.27 2vwm n GLN 104 N 5.06 -0.59 -1.26 4.30 1.13 -1.26 0.52 117.38 125.28 2vwm n GLN 104 Ca -0.08 0.25 -0.11 0.00 -1.94 0.00 0.00 57.00 55.12 2vwm n GLN 104 Cb 0.50 -2.78 -0.05 0.00 0.11 0.00 0.00 30.24 28.02 2vwm n GLN 104 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2vwm n ASN 105 N -2.29 -4.80 -4.06 1.08 5.03 -1.26 -4.73 115.26 104.22 2vwm n ASN 105 Ca -0.14 0.27 -0.14 0.00 0.87 0.00 0.00 54.58 55.45 2vwm n ASN 105 Cb 0.58 -3.75 -0.10 0.00 -1.02 0.00 0.00 39.78 35.49 2vwm n ASN 105 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2vwm s SER 106 N -2.19 0.47 0.05 6.41 0.15 0.19 1.01 113.70 119.78 2vwm s SER 106 Ca 0.00 -1.45 -0.13 0.00 0.70 0.00 0.00 55.95 55.07 2vwm s SER 106 Cb 0.00 0.40 -0.06 0.00 -1.71 0.00 0.00 66.02 64.65 2vwm s SER 106 CO 0.00 -0.87 0.43 -0.69 1.20 0.00 0.00 173.24 173.31 2vwm s VAL 107 N -4.02 5.02 -0.08 4.45 1.01 -1.26 0.26 120.40 125.78 2vwm s VAL 107 Ca 0.39 0.71 0.01 0.00 0.00 0.00 0.00 61.98 63.09 2vwm s VAL 107 Cb 0.06 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.76 2vwm s VAL 107 CO 0.15 0.42 -0.10 -0.69 0.00 0.00 0.00 175.10 174.88 2vwm s VAL 108 N -1.26 1.06 0.24 2.92 1.01 0.52 -4.85 120.40 120.04 2vwm s VAL 108 Ca 0.29 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 2vwm s VAL 108 Cb -0.15 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 2vwm s VAL 108 CO 0.16 0.35 0.45 0.00 0.00 0.00 0.00 175.10 176.07 2vwm s SER 110 N -3.24 0.70 0.05 0.00 1.04 -0.60 -4.99 113.70 106.66 2vwm s SER 110 Ca 0.40 -1.43 -0.01 0.00 0.48 0.00 0.00 55.95 55.39 2vwm s SER 110 Cb -0.11 0.75 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 2vwm s SER 110 CO 0.30 -1.48 -0.02 0.00 0.98 0.00 0.00 173.24 173.01 2vwm s ALA 112 N -3.85 1.28 0.37 0.00 0.00 -1.26 -4.92 121.76 113.38 2vwm s ALA 112 Ca 0.06 -0.32 -0.28 0.00 0.00 0.00 0.00 51.96 51.42 2vwm s ALA 112 Cb 0.07 -3.12 -0.10 0.00 0.00 0.00 0.00 23.12 19.98 2vwm s ALA 112 CO -0.10 -2.59 1.41 0.50 0.00 0.00 0.00 175.76 174.98 2vwm s ARG 113 N -5.02 4.12 0.00 0.00 3.52 -1.26 -2.42 118.95 117.89 2vwm s ARG 113 Ca 0.64 2.40 0.00 0.00 -0.13 0.00 0.00 55.73 58.65 2vwm s ARG 113 Cb -0.18 -2.94 0.00 0.00 -1.56 0.00 0.00 34.95 30.27 2vwm s ARG 113 CO 0.57 -0.46 0.00 0.41 -0.81 0.00 0.00 175.30 175.01 2vwm n GLY 114 N 0.59 0.74 3.03 8.12 0.00 -1.26 -4.59 105.19 111.82 2vwm n GLY 114 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 2vwm n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2vwm s TYR 115 N -2.16 0.67 -0.07 1.61 1.51 -1.02 -1.49 117.35 116.40 2vwm s TYR 115 Ca 0.00 -0.29 0.03 0.00 -1.01 0.00 0.00 57.07 55.80 2vwm s TYR 115 Cb 0.00 -0.41 -0.02 0.00 -0.11 0.00 0.00 41.96 41.42 2vwm s TYR 115 CO 0.00 -0.03 -0.14 0.99 -1.11 0.00 0.00 175.55 175.25 2vwm s THR 116 N -0.73 3.02 0.23 -0.71 2.01 0.54 -4.75 115.64 115.26 2vwm s THR 116 Ca -0.03 -0.72 -0.31 0.00 0.31 0.00 0.00 61.69 60.94 2vwm s THR 116 Cb -0.06 -2.20 -0.10 0.00 0.01 0.00 0.00 72.50 70.15 2vwm s THR 116 CO 0.00 0.58 1.52 -0.22 -0.69 0.00 0.00 174.62 175.81 2vwm s LEU 117 N -0.47 4.37 0.85 4.42 2.96 -1.26 -0.47 118.68 129.08 2vwm s LEU 117 Ca 0.06 2.70 -0.11 0.00 -0.22 0.00 0.00 54.13 56.56 2vwm s LEU 117 Cb -0.12 -3.61 0.10 0.00 0.50 0.00 0.00 46.19 43.06 2vwm s LEU 117 CO 0.02 -0.79 1.09 0.00 -1.32 0.00 0.00 176.35 175.35 2vwm s ALA 118 N 0.44 1.85 0.44 5.97 0.00 0.40 -4.87 121.76 125.98 2vwm s ALA 118 Ca 0.64 0.01 0.10 0.00 0.00 0.00 0.00 51.96 52.71 2vwm s ALA 118 Cb -0.44 -3.20 0.97 0.00 0.00 0.00 0.00 23.12 20.45 2vwm s ALA 118 CO 0.39 -2.09 2.08 -0.44 0.00 0.00 0.00 175.76 175.70 2vwm h ASP 119 N -1.36 0.35 0.30 0.00 3.32 -1.94 0.81 116.42 117.91 2vwm h ASP 119 Ca -0.47 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2vwm h ASP 119 Cb 1.27 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2vwm h ASP 119 CO 0.54 0.25 0.00 -0.46 -1.72 0.00 0.00 179.24 177.86 2vwm n ASN 120 N -4.49 0.00 -0.01 6.45 0.23 -1.26 -4.85 115.26 111.33 2vwm n ASN 120 Ca 0.02 0.19 -0.00 0.00 -0.53 0.00 0.00 54.58 54.25 2vwm n ASN 120 Cb 0.08 -0.34 -0.00 0.00 -2.08 0.00 0.00 39.78 37.44 2vwm n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2vwm n GLY 121 N -0.13 0.39 0.28 4.83 0.00 0.28 -4.82 105.19 106.01 2vwm n GLY 121 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 2vwm n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2vwm n LYS 122 N -2.07 0.03 -2.77 1.61 5.02 -1.26 -4.18 118.16 114.53 2vwm n LYS 122 Ca -0.00 0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 2vwm n LYS 122 Cb 0.12 -0.89 -0.04 0.00 -0.02 0.00 0.00 35.03 34.20 2vwm n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2vwm s ALA 123 N -2.02 3.23 -0.23 7.82 0.00 -1.26 -1.16 121.76 128.14 2vwm s ALA 123 Ca -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.92 2vwm s ALA 123 Cb 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.25 2vwm s ALA 123 CO 0.02 -0.00 -0.06 0.00 0.00 0.00 0.00 175.76 175.72 2vwm s ILE 125 N 1.42 4.06 0.42 0.00 -1.09 0.38 -4.89 121.20 121.51 2vwm s ILE 125 Ca 0.04 -0.31 -0.26 0.00 -2.23 0.00 0.00 60.65 57.89 2vwm s ILE 125 Cb -0.15 -2.91 -0.09 0.00 -1.58 0.00 0.00 42.46 37.73 2vwm s ILE 125 CO -0.05 0.32 1.36 -2.84 -1.23 0.00 0.00 174.94 172.51 2vwm s PRO 126 N 1.57 3.90 0.00 2.79 0.02 -1.26 -0.34 135.00 141.68 2vwm s PRO 126 Ca 0.06 2.29 0.22 0.00 0.02 0.00 0.00 61.00 63.59 2vwm s PRO 126 Cb -0.15 -2.75 -0.09 0.00 0.02 0.00 0.00 34.50 31.52 2vwm s PRO 126 CO 0.02 -0.60 1.01 0.25 -0.33 0.00 0.00 177.00 177.35 2vwm n THR 127 N 0.07 0.00 -4.29 0.99 -2.24 -0.56 -4.84 114.28 103.41 2vwm n THR 127 Ca 0.04 -0.10 -0.19 0.00 -2.27 0.00 0.00 64.05 61.52 2vwm n THR 127 Cb 0.42 1.06 -0.08 0.00 -2.10 0.00 0.00 70.33 69.63 2vwm n THR 127 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2vwm s GLY 128 N -2.79 2.25 0.18 3.38 0.00 -1.26 -5.06 107.32 104.03 2vwm s GLY 128 Ca 0.13 -1.97 0.26 0.00 0.00 0.00 0.00 44.72 43.13 2vwm s GLY 128 CO 0.74 -1.49 1.77 -1.55 0.00 0.00 0.00 173.10 172.57 2vwm n PRO 129 N -0.60 0.24 -3.18 2.90 -0.04 -1.26 -4.09 135.00 128.97 2vwm n PRO 129 Ca 0.06 0.19 -0.25 0.00 -0.04 0.00 0.00 63.50 63.45 2vwm n PRO 129 Cb 0.63 -1.77 -0.06 0.00 -0.04 0.00 0.00 33.50 32.26 2vwm n PRO 129 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2vwm n TYR 130 N -2.18 2.89 -2.16 0.54 4.01 -1.26 -5.09 117.16 113.91 2vwm n TYR 130 Ca 0.06 -3.98 -0.35 0.00 -0.16 0.00 0.00 57.90 53.47 2vwm n TYR 130 Cb 0.42 -0.49 0.01 0.00 -0.31 0.00 0.00 39.34 38.97 2vwm n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2vwm s PRO 131 N -2.71 3.26 0.66 -0.72 0.04 -1.26 -4.95 135.00 129.32 2vwm s PRO 131 Ca 0.43 1.55 -0.17 0.00 0.04 0.00 0.00 61.00 62.84 2vwm s PRO 131 Cb 0.23 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.77 2vwm s PRO 131 CO -0.08 -0.91 1.23 0.00 0.04 0.00 0.00 177.00 177.28 2vwm n GLY 133 N 0.58 0.66 3.45 0.00 0.00 -1.26 -4.99 105.19 103.64 2vwm n GLY 133 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2vwm n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vwm s LYS 134 N -0.13 3.60 0.47 1.61 -0.14 -1.20 -5.09 119.74 118.86 2vwm s LYS 134 Ca 0.00 -0.54 -0.24 0.00 -1.36 0.00 0.00 55.97 53.83 2vwm s LYS 134 Cb 0.00 -2.97 -0.07 0.00 -1.68 0.00 0.00 37.83 33.11 2vwm s LYS 134 CO 0.00 0.11 1.32 -0.65 -0.76 0.00 0.00 175.35 175.38 2vwm s GLN 135 N 0.71 3.60 -1.21 1.68 -0.21 -1.26 -4.90 119.66 118.06 2vwm s GLN 135 Ca -0.02 2.17 -0.10 0.00 0.02 0.00 0.00 55.36 57.44 2vwm s GLN 135 Cb -0.14 -2.51 0.20 0.00 1.00 0.00 0.00 33.01 31.56 2vwm s GLN 135 CO 0.02 -0.81 1.61 0.25 -2.12 0.00 0.00 175.29 174.25 2vwm n THR 136 N -0.43 4.50 1.57 -0.19 -2.24 -1.26 -5.12 114.28 111.11 2vwm n THR 136 Ca 0.07 -4.83 0.14 0.00 -2.27 0.00 0.00 64.05 57.16 2vwm n THR 136 Cb 0.44 -2.37 0.58 0.00 -2.10 0.00 0.00 70.33 66.89 2vwm n THR 136 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68