#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvx s LYS 102 N 0.00 3.10 0.11 0.03 -0.14 -1.26 -4.83 119.74 116.75 2pvx s LYS 102 Ca 0.00 -0.73 0.08 0.00 -1.36 0.00 0.00 55.97 53.97 2pvx s LYS 102 Cb 0.00 -2.69 -0.04 0.00 -1.68 0.00 0.00 37.83 33.43 2pvx s LYS 102 CO 0.00 -0.10 -0.21 0.15 -0.76 0.00 0.00 175.35 174.43 2pvx s LYS 103 N -4.36 1.16 -0.01 1.68 1.02 -1.26 -1.14 119.74 116.82 2pvx s LYS 103 Ca 0.46 -1.19 0.02 0.00 0.02 0.00 0.00 55.97 55.27 2pvx s LYS 103 Cb -0.10 -1.43 0.00 0.00 -0.52 0.00 0.00 37.83 35.78 2pvx s LYS 103 CO 0.35 0.33 -0.05 -1.58 -0.92 0.00 0.00 175.35 173.47 2pvx s TRP 104 N -1.21 0.55 -0.12 3.18 0.52 -0.08 -0.83 118.94 120.95 2pvx s TRP 104 Ca 0.08 -0.11 -0.05 0.00 0.02 0.00 0.00 56.10 56.04 2pvx s TRP 104 Cb -0.10 -0.39 -0.04 0.00 -1.15 0.00 0.00 33.47 31.80 2pvx s TRP 104 CO 0.05 -0.04 0.05 0.54 0.02 0.00 0.00 176.95 177.56 2pvx s VAL 105 N 0.05 4.67 -0.14 4.03 0.11 0.28 -0.60 120.40 128.80 2pvx s VAL 105 Ca -0.00 -0.10 -0.29 0.00 -2.93 0.00 0.00 61.98 58.66 2pvx s VAL 105 Cb -0.04 -3.03 -0.02 0.00 -1.53 0.00 0.00 36.38 31.76 2pvx s VAL 105 CO -0.00 0.56 1.35 0.00 -3.33 0.00 0.00 175.10 173.68 2pvx n THR 107 N 5.39 0.02 -0.11 0.00 -2.24 -0.21 -0.35 114.28 116.78 2pvx n THR 107 Ca 0.15 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.71 2pvx n THR 107 Cb 0.44 -0.53 -0.10 0.00 -2.10 0.00 0.00 70.33 68.04 2pvx n THR 107 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2pvx n VAL 108 N -1.10 1.53 0.03 2.28 0.31 -1.26 -4.78 118.33 115.33 2pvx n VAL 108 Ca 0.20 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 2pvx n VAL 108 Cb 0.15 -2.05 -0.00 0.00 -0.91 0.00 0.00 33.84 31.03 2pvx n VAL 108 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pvx n GLY 110 N 0.90 1.14 3.64 0.00 0.00 0.53 -5.01 105.19 106.39 2pvx n GLY 110 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 2pvx n GLY 110 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2pvx n TYR 111 N -2.00 1.85 -3.56 1.61 9.36 -1.26 -4.56 117.16 118.60 2pvx n TYR 111 Ca 0.00 0.57 -0.40 0.00 3.32 0.00 0.00 57.90 61.39 2pvx n TYR 111 Cb 0.00 -2.37 -0.11 0.00 -0.63 0.00 0.00 39.34 36.23 2pvx n TYR 111 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2pvx s ILE 112 N -0.61 5.01 -0.26 2.97 -1.09 -1.26 -0.55 121.20 125.41 2pvx s ILE 112 Ca 0.63 -0.41 -0.29 0.00 -2.23 0.00 0.00 60.65 58.35 2pvx s ILE 112 Cb -0.67 -3.63 0.01 0.00 -1.58 0.00 0.00 42.46 36.60 2pvx s ILE 112 CO 0.56 -0.06 1.06 -0.47 -1.23 0.00 0.00 174.94 174.80 2pvx s TYR 113 N 1.67 3.26 -0.28 3.97 5.04 0.23 -4.92 117.35 126.33 2pvx s TYR 113 Ca 0.05 1.36 -0.06 0.00 -2.44 0.00 0.00 57.07 55.98 2pvx s TYR 113 Cb -0.18 -3.43 0.00 0.00 0.35 0.00 0.00 41.96 38.70 2pvx s TYR 113 CO 0.09 -0.60 0.05 0.34 -1.34 0.00 0.00 175.55 174.09 2pvx s ASP 114 N 1.38 4.97 0.34 4.32 -1.08 -1.26 -0.90 116.67 124.45 2pvx s ASP 114 Ca 0.45 -0.62 0.03 0.00 -0.52 0.00 0.00 52.55 51.88 2pvx s ASP 114 Cb -0.14 -1.85 0.63 0.00 -1.46 0.00 0.00 42.92 40.10 2pvx s ASP 114 CO 0.10 -0.15 1.97 -0.33 0.52 0.00 0.00 175.17 177.28 2pvx h GLU 115 N 8.20 0.86 -0.38 4.34 5.08 -1.38 0.52 114.58 131.83 2pvx h GLU 115 Ca -0.33 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 57.93 2pvx h GLU 115 Cb 1.13 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 2pvx h GLU 115 CO 0.60 0.57 0.04 -0.44 -1.00 0.00 0.00 179.01 178.78 2pvx h ASP 116 N 0.88 0.54 1.03 1.42 3.32 -1.87 0.18 116.42 121.92 2pvx h ASP 116 Ca 0.29 -0.09 -0.20 0.00 0.02 0.00 0.00 57.03 57.05 2pvx h ASP 116 Cb 0.06 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 2pvx h ASP 116 CO -0.08 0.58 -0.98 0.00 -1.72 0.00 0.00 179.24 177.04 2pvx h ALA 117 N 1.49 0.41 -1.00 3.45 0.00 -1.48 -2.74 119.26 119.38 2pvx h ALA 117 Ca 0.12 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2pvx h ALA 117 Cb 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2pvx h ALA 117 CO 0.01 1.20 0.00 0.41 0.00 0.00 0.00 179.25 180.86 2pvx n GLY 118 N 1.35 1.03 2.51 0.00 0.00 0.01 -3.90 105.19 106.19 2pvx n GLY 118 Ca -0.01 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 2pvx n GLY 118 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pvx n ASP 119 N -3.00 -1.25 0.22 1.61 2.03 -0.41 -4.67 116.55 111.08 2pvx n ASP 119 Ca 0.00 -3.26 0.07 0.00 0.52 0.00 0.00 54.79 52.12 2pvx n ASP 119 Cb 0.00 0.82 0.49 0.00 -0.72 0.00 0.00 41.12 41.71 2pvx n ASP 119 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2pvx h PRO 120 N 3.42 0.00 0.00 -0.67 0.11 -1.51 -0.97 132.00 132.39 2pvx h PRO 120 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2pvx h PRO 120 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2pvx h PRO 120 CO 0.33 0.27 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 2pvx n ASP 121 N -3.86 0.00 -0.44 -2.05 5.68 -1.26 -1.83 116.55 112.79 2pvx n ASP 121 Ca -0.02 -0.19 0.07 0.00 -0.50 0.00 0.00 54.79 54.16 2pvx n ASP 121 Cb 0.35 -0.24 0.18 0.00 -1.14 0.00 0.00 41.12 40.28 2pvx n ASP 121 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2pvx n ASN 122 N -1.24 2.03 0.00 -1.12 3.02 -0.48 -4.98 115.26 112.48 2pvx n ASN 122 Ca 0.13 -3.58 0.00 0.00 -0.03 0.00 0.00 54.58 51.10 2pvx n ASN 122 Cb 0.19 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 2pvx n ASN 122 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pvx n GLY 123 N -1.22 0.72 3.33 7.41 0.00 -0.76 -5.01 105.19 109.65 2pvx n GLY 123 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2pvx n GLY 123 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pvx s ILE 124 N -2.53 3.73 0.54 -0.61 -1.09 -0.55 -4.94 121.20 115.75 2pvx s ILE 124 Ca 0.00 -0.66 -0.22 0.00 -2.23 0.00 0.00 60.65 57.55 2pvx s ILE 124 Cb 0.00 -2.86 -0.05 0.00 -1.58 0.00 0.00 42.46 37.97 2pvx s ILE 124 CO 0.00 0.18 1.31 -0.44 -1.23 0.00 0.00 174.94 174.76 2pvx s SER 125 N 1.48 5.39 0.37 3.58 0.01 -1.26 -1.29 113.70 121.98 2pvx s SER 125 Ca 0.03 2.65 -0.26 0.00 1.31 0.00 0.00 55.95 59.67 2pvx s SER 125 Cb -0.16 -2.63 -0.12 0.00 0.21 0.00 0.00 66.02 63.32 2pvx s SER 125 CO 0.01 -1.48 1.14 -2.65 0.41 0.00 0.00 173.24 170.67 2pvx n PRO 126 N -1.01 1.68 -0.32 12.44 -0.02 -1.25 -2.60 135.00 143.92 2pvx n PRO 126 Ca 0.10 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2pvx n PRO 126 Cb 0.46 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2pvx n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pvx n GLY 127 N 1.00 0.78 3.62 -1.23 0.00 0.62 -4.85 105.19 105.13 2pvx n GLY 127 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2pvx n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pvx s THR 128 N -2.22 4.65 0.56 2.61 2.01 -1.07 -4.91 115.64 117.27 2pvx s THR 128 Ca 0.00 1.32 -0.21 0.00 0.31 0.00 0.00 61.69 63.10 2pvx s THR 128 Cb 0.00 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2pvx s THR 128 CO 0.00 -0.40 1.36 -0.54 -0.69 0.00 0.00 174.62 174.34 2pvx s LYS 129 N 3.30 3.08 0.29 4.92 1.02 -1.26 -4.58 119.74 126.50 2pvx s LYS 129 Ca 0.37 2.23 0.02 0.00 0.02 0.00 0.00 55.97 58.61 2pvx s LYS 129 Cb -0.13 -2.22 0.57 0.00 -0.52 0.00 0.00 37.83 35.54 2pvx s LYS 129 CO 0.15 -1.24 1.84 0.35 -0.92 0.00 0.00 175.35 175.54 2pvx h PHE 130 N 1.37 1.12 0.00 3.18 3.57 -1.95 0.52 116.94 124.74 2pvx h PHE 130 Ca -0.51 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.00 2pvx h PHE 130 Cb 1.30 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 2pvx h PHE 130 CO 0.45 0.45 -0.10 1.05 -2.23 0.00 0.00 178.31 177.93 2pvx h GLU 131 N 0.98 0.00 -0.07 1.11 9.09 -2.02 -1.07 114.58 122.59 2pvx h GLU 131 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.90 2pvx h GLU 131 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.59 2pvx h GLU 131 CO -0.25 0.10 0.00 0.39 0.05 0.00 0.00 179.01 179.30 2pvx n GLU 132 N -4.24 1.68 -2.04 1.06 -0.58 0.16 -4.87 120.64 111.80 2pvx n GLU 132 Ca -0.03 -1.00 -0.39 0.00 -0.42 0.00 0.00 57.16 55.32 2pvx n GLU 132 Cb 0.18 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 2pvx n GLU 132 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2pvx s LEU 133 N -1.84 4.14 0.64 -4.62 1.43 -0.41 -4.94 118.68 113.09 2pvx s LEU 133 Ca 0.36 2.63 -0.18 0.00 -1.03 0.00 0.00 54.13 55.91 2pvx s LEU 133 Cb 0.20 -3.99 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 2pvx s LEU 133 CO 0.31 -0.95 1.06 -2.65 0.23 0.00 0.00 176.35 174.35 2pvx n PRO 134 N -0.09 0.88 -0.20 1.29 -0.02 -1.26 -4.85 135.00 130.75 2pvx n PRO 134 Ca 0.05 0.35 0.19 0.00 -2.02 0.00 0.00 63.50 62.07 2pvx n PRO 134 Cb 0.44 -2.28 0.54 0.00 -0.02 0.00 0.00 33.50 32.18 2pvx n PRO 134 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2pvx h ASP 135 N 0.36 0.34 -0.53 2.55 3.32 -1.95 -0.75 116.42 119.76 2pvx h ASP 135 Ca -0.49 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2pvx h ASP 135 Cb 1.35 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2pvx h ASP 135 CO 0.51 0.15 0.00 -0.90 -1.72 0.00 0.00 179.24 177.27 2pvx n ASP 136 N -4.47 4.26 -4.78 6.45 5.75 -1.26 -4.76 116.55 117.74 2pvx n ASP 136 Ca 0.17 -2.47 -0.36 0.00 -0.01 0.00 0.00 54.79 52.13 2pvx n ASP 136 Cb 0.67 -0.56 -0.01 0.00 -1.03 0.00 0.00 41.12 40.20 2pvx n ASP 136 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 2pvx s TRP 137 N -1.96 2.84 0.13 2.11 -0.00 -0.29 -5.03 118.94 116.74 2pvx s TRP 137 Ca 0.43 1.56 0.04 0.00 -0.00 0.00 0.00 56.10 58.12 2pvx s TRP 137 Cb 0.29 -3.26 -0.04 0.00 -0.00 0.00 0.00 33.47 30.46 2pvx s TRP 137 CO 0.19 -1.34 -0.09 0.14 -0.00 0.00 0.00 176.95 175.85 2pvx s VAL 138 N -1.74 1.02 0.05 5.86 -7.23 -1.26 -3.84 120.40 113.26 2pvx s VAL 138 Ca 0.68 -2.01 -0.35 0.00 -1.81 0.00 0.00 61.98 58.49 2pvx s VAL 138 Cb -0.24 -1.78 -0.15 0.00 0.56 0.00 0.00 36.38 34.78 2pvx s VAL 138 CO 0.28 -0.78 1.57 0.00 -0.31 0.00 0.00 175.10 175.86 2pvx n PRO 140 N 3.87 0.11 -0.13 0.00 -0.04 -1.26 -1.33 135.00 136.20 2pvx n PRO 140 Ca 0.19 0.37 -0.27 0.00 -0.04 0.00 0.00 63.50 63.75 2pvx n PRO 140 Cb 0.24 -1.71 -0.11 0.00 -0.04 0.00 0.00 33.50 31.89 2pvx n PRO 140 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2pvx n LEU 141 N -1.91 2.21 -0.00 1.53 4.77 -1.26 -4.79 117.00 117.55 2pvx n LEU 141 Ca 0.02 0.23 0.05 0.00 -0.03 0.00 0.00 56.01 56.28 2pvx n LEU 141 Cb 0.19 -0.86 -0.07 0.00 -2.33 0.00 0.00 43.42 40.35 2pvx n LEU 141 CO 0.16 0.65 -0.28 0.00 -1.33 0.00 0.00 177.39 176.59 2pvx n GLY 143 N 1.52 0.78 3.80 0.00 0.00 -0.44 -4.97 105.19 105.87 2pvx n GLY 143 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2pvx n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pvx s VAL 144 N -2.95 3.66 0.87 1.61 0.11 -1.26 -4.51 120.40 117.93 2pvx s VAL 144 Ca 0.00 0.54 -0.10 0.00 -2.93 0.00 0.00 61.98 59.49 2pvx s VAL 144 Cb 0.00 -3.19 0.17 0.00 -1.53 0.00 0.00 36.38 31.83 2pvx s VAL 144 CO 0.00 -0.71 1.20 -0.83 -3.33 0.00 0.00 175.10 171.43 2pvx s GLY 145 N -3.66 1.77 0.48 6.54 0.00 -1.26 -0.30 107.32 110.88 2pvx s GLY 145 Ca 0.59 -1.36 0.13 0.00 0.00 0.00 0.00 44.72 44.08 2pvx s GLY 145 CO 0.55 -0.68 2.10 0.50 0.00 0.00 0.00 173.10 175.57 2pvx h LYS 146 N -1.21 0.21 0.00 2.90 1.57 -1.86 -1.97 116.57 116.21 2pvx h LYS 146 Ca -0.42 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2pvx h LYS 146 Cb 1.25 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2pvx h LYS 146 CO 0.40 0.14 0.00 -0.44 -0.57 0.00 0.00 179.45 178.98 2pvx h ASP 147 N 0.22 0.00 -0.51 0.86 3.32 -1.94 -2.09 116.42 116.27 2pvx h ASP 147 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2pvx h ASP 147 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2pvx h ASP 147 CO -0.02 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.50 2pvx n GLN 148 N -3.03 2.32 -3.82 3.56 1.13 -0.74 -4.89 117.38 111.90 2pvx n GLN 148 Ca -0.03 -1.89 -0.33 0.00 -1.94 0.00 0.00 57.00 52.80 2pvx n GLN 148 Cb 0.09 -1.45 -0.05 0.00 0.11 0.00 0.00 30.24 28.94 2pvx n GLN 148 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2pvx s PHE 149 N -1.37 3.55 -0.04 1.08 0.08 -0.79 -1.04 117.98 119.45 2pvx s PHE 149 Ca 0.35 0.46 0.05 0.00 0.12 0.00 0.00 56.93 57.91 2pvx s PHE 149 Cb 0.19 -1.91 -0.01 0.00 -0.57 0.00 0.00 43.02 40.72 2pvx s PHE 149 CO 0.23 0.60 -0.19 -1.21 -0.10 0.00 0.00 175.22 174.56 2pvx s GLU 150 N -1.99 1.85 0.27 0.44 0.41 -0.30 -4.93 118.70 114.45 2pvx s GLU 150 Ca 0.30 -0.66 -0.29 0.00 -0.41 0.00 0.00 54.97 53.90 2pvx s GLU 150 Cb -0.13 -1.63 -0.10 0.00 -1.78 0.00 0.00 34.13 30.50 2pvx s GLU 150 CO 0.19 0.29 1.26 0.21 -0.49 0.00 0.00 175.26 176.72 2pvx s LYS 151 N -0.07 4.44 0.44 1.61 2.20 -1.26 -0.56 119.74 126.53 2pvx s LYS 151 Ca -0.02 2.06 -0.24 0.00 -0.36 0.00 0.00 55.97 57.41 2pvx s LYS 151 Cb -0.11 -3.15 -0.08 0.00 -1.51 0.00 0.00 37.83 32.99 2pvx s LYS 151 CO 0.02 -0.11 1.19 -0.51 -0.36 0.00 0.00 175.35 175.57 2pvx s LEU 152 N -1.09 4.09 0.64 5.43 1.02 -0.01 -4.88 118.68 123.88 2pvx s LEU 152 Ca 0.51 2.37 -0.17 0.00 0.02 0.00 0.00 54.13 56.85 2pvx s LEU 152 Cb -0.37 -4.13 -0.01 0.00 0.02 0.00 0.00 46.19 41.70 2pvx s LEU 152 CO 0.45 -0.85 1.21 -1.61 0.02 0.00 0.00 176.35 175.56 2pvx s GLU 153 N -2.52 2.70 0.00 1.70 0.41 -1.26 -4.87 118.70 114.86 2pvx s GLU 153 Ca 0.61 1.79 0.20 0.00 -0.41 0.00 0.00 54.97 57.16 2pvx s GLU 153 Cb -0.31 -1.90 1.22 0.00 -1.78 0.00 0.00 34.13 31.36 2pvx s GLU 153 CO 0.38 -1.41 1.60 -0.25 -0.49 0.00 0.00 175.26 175.10