#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p4q s SER 2 N 0.00 -0.13 -0.01 1.61 0.01 -1.26 -5.17 113.70 108.76 1p4q s SER 2 Ca 0.00 -0.81 0.07 0.00 1.31 0.00 0.00 55.95 56.52 1p4q s SER 2 Cb 0.00 0.74 -0.03 0.00 0.21 0.00 0.00 66.02 66.94 1p4q s SER 2 CO 0.00 -1.41 -0.21 -0.83 0.41 0.00 0.00 173.24 171.20 1p4q s GLY 3 N -3.02 1.44 0.02 3.44 0.00 -1.26 -5.05 107.32 102.89 1p4q s GLY 3 Ca 0.14 -1.12 -0.26 0.00 0.00 0.00 0.00 44.72 43.48 1p4q s GLY 3 CO 0.08 -0.95 1.29 1.48 0.00 0.00 0.00 173.10 175.00 1p4q h SER 4 N 5.12 -0.45 0.00 1.64 4.64 -2.03 -3.42 113.55 119.05 1p4q h SER 4 Ca -0.46 -0.11 -0.12 0.00 -0.47 0.00 0.00 61.79 60.63 1p4q h SER 4 Cb 1.14 0.12 -0.18 0.00 -0.31 0.00 0.00 62.40 63.17 1p4q h SER 4 CO 0.48 -0.12 -0.47 0.61 -0.87 0.00 0.00 176.83 176.46 1p4q n GLY 5 N -0.54 0.69 2.65 -0.77 0.00 -1.26 -5.00 105.19 100.96 1p4q n GLY 5 Ca -0.10 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 1p4q n GLY 5 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1p4q n SER 6 N 0.13 5.22 0.00 1.61 2.88 -1.26 -4.70 113.62 117.50 1p4q n SER 6 Ca -0.14 -2.66 0.00 0.00 -1.33 0.00 0.00 58.87 54.73 1p4q n SER 6 Cb 0.80 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 1p4q n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p4q n GLY 7 N 3.97 0.94 2.92 0.46 0.00 -1.26 -5.04 105.19 107.19 1p4q n GLY 7 Ca 0.58 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 45.67 1p4q n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1p4q n SER 8 N 0.00 -6.92 -2.99 1.61 2.88 -1.26 -4.28 113.62 102.66 1p4q n SER 8 Ca 0.00 -0.19 -0.03 0.00 -1.33 0.00 0.00 58.87 57.32 1p4q n SER 8 Cb 0.00 -4.80 0.00 0.00 -0.75 0.00 0.00 64.21 58.67 1p4q n SER 8 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1p4q n ASN 9 N -1.99 -7.85 0.00 -3.46 5.03 -1.26 -5.02 115.26 100.71 1p4q n ASN 9 Ca -0.01 0.13 0.00 0.00 0.87 0.00 0.00 54.58 55.57 1p4q n ASN 9 Cb 0.52 -5.34 0.00 0.00 -1.02 0.00 0.00 39.78 33.95 1p4q n ASN 9 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 1p4q n VAL 10 N -1.28 0.00 0.00 2.41 3.14 -1.26 -4.97 118.33 116.36 1p4q n VAL 10 Ca 0.04 0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 1p4q n VAL 10 Cb 0.49 -0.20 0.00 0.00 -1.06 0.00 0.00 33.84 33.07 1p4q n VAL 10 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1p4q n ILE 11 N 0.00 0.00 -2.53 1.55 3.06 -1.26 -5.00 119.36 115.19 1p4q n ILE 11 Ca 0.00 0.00 -0.08 0.00 -2.50 0.00 0.00 62.75 60.17 1p4q n ILE 11 Cb 0.00 -0.52 0.04 0.00 0.54 0.00 0.00 39.64 39.70 1p4q n ILE 11 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1p4q n ASP 12 N 0.00 2.76 -0.18 9.51 8.00 -1.26 -4.82 116.55 130.57 1p4q n ASP 12 Ca 0.00 -2.66 0.07 0.00 0.71 0.00 0.00 54.79 52.91 1p4q n ASP 12 Cb 0.00 -0.43 0.35 0.00 -0.02 0.00 0.00 41.12 41.03 1p4q n ASP 12 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1p4q n THR 13 N -0.62 0.09 0.29 -3.53 -2.24 -1.26 -3.87 114.28 103.13 1p4q n THR 13 Ca 0.20 -0.12 0.11 0.00 -2.27 0.00 0.00 64.05 61.98 1p4q n THR 13 Cb 0.87 -0.04 0.51 0.00 -2.10 0.00 0.00 70.33 69.57 1p4q n THR 13 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1p4q n ASP 14 N -0.37 0.58 0.00 3.42 2.03 -1.26 -2.59 116.55 118.36 1p4q n ASP 14 Ca 0.11 0.70 0.00 0.00 0.52 0.00 0.00 54.79 56.12 1p4q n ASP 14 Cb 0.13 -0.80 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 1p4q n ASP 14 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1p4q n PHE 15 N -2.20 0.00 -2.35 -0.67 1.16 -1.25 -5.06 117.46 107.09 1p4q n PHE 15 Ca 0.01 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.21 1p4q n PHE 15 Cb 0.14 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 37.98 1p4q n PHE 15 CO 0.00 0.00 0.00 -1.50 -1.87 0.00 0.00 176.76 173.39 1p4q s ILE 16 N -0.64 3.28 -0.17 1.97 2.07 -1.07 -5.03 121.20 121.60 1p4q s ILE 16 Ca 0.00 1.06 -0.07 0.00 -1.41 0.00 0.00 60.65 60.23 1p4q s ILE 16 Cb 0.00 -3.59 -0.04 0.00 0.13 0.00 0.00 42.46 38.96 1p4q s ILE 16 CO 0.00 0.08 0.06 -0.62 -1.91 0.00 0.00 174.94 172.55 1p4q s ASP 17 N -1.21 5.64 0.28 4.50 -1.08 -1.26 -4.97 116.67 118.56 1p4q s ASP 17 Ca 0.57 0.10 0.22 0.00 -0.52 0.00 0.00 52.55 52.92 1p4q s ASP 17 Cb -0.29 -1.94 1.05 0.00 -1.46 0.00 0.00 42.92 40.28 1p4q s ASP 17 CO 0.36 0.20 1.67 -0.62 0.52 0.00 0.00 175.17 177.30 1p4q n GLU 18 N 3.38 0.16 0.01 4.34 1.02 -1.26 -1.75 120.64 126.54 1p4q n GLU 18 Ca -0.17 0.53 -0.01 0.00 -0.02 0.00 0.00 57.16 57.49 1p4q n GLU 18 Cb 0.52 -1.90 -0.10 0.00 -0.02 0.00 0.00 31.44 29.95 1p4q n GLU 18 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1p4q n GLU 19 N -2.22 0.63 0.07 3.49 0.28 -1.26 -3.49 120.64 118.13 1p4q n GLU 19 Ca 0.00 0.18 -0.09 0.00 -0.16 0.00 0.00 57.16 57.09 1p4q n GLU 19 Cb 0.13 -1.76 -0.06 0.00 1.43 0.00 0.00 31.44 31.18 1p4q n GLU 19 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1p4q h VAL 20 N 0.00 0.57 0.00 3.84 2.07 -1.76 -2.92 116.25 118.05 1p4q h VAL 20 Ca -0.20 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 1p4q h VAL 20 Cb 1.63 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1p4q h VAL 20 CO 0.04 0.16 -0.08 0.17 0.02 0.00 0.00 177.57 177.87 1p4q h LEU 21 N -0.96 0.00 0.17 2.57 8.10 -1.71 -2.54 115.31 120.94 1p4q h LEU 21 Ca -0.03 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.95 1p4q h LEU 21 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.68 1p4q h LEU 21 CO 0.04 0.08 -0.08 -0.03 -4.11 0.00 0.00 178.44 174.35 1p4q h MET 22 N 0.00 -0.22 -0.74 0.17 4.05 -1.61 0.15 114.93 116.72 1p4q h MET 22 Ca -0.00 0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.50 1p4q h MET 22 Cb 0.16 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.96 1p4q h MET 22 CO 0.01 -0.04 0.49 0.77 0.23 0.00 0.00 176.91 178.36 1p4q h SER 23 N -0.36 0.67 0.89 1.39 0.02 -1.26 0.58 113.55 115.48 1p4q h SER 23 Ca -0.02 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.83 1p4q h SER 23 Cb 0.28 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1p4q h SER 23 CO 0.04 0.43 -0.49 -0.07 -1.14 0.00 0.00 176.83 175.59 1p4q h LEU 24 N 0.76 0.00 -0.27 5.07 3.38 -1.12 -2.13 115.31 121.00 1p4q h LEU 24 Ca 0.32 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.21 1p4q h LEU 24 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1p4q h LEU 24 CO -0.11 0.49 -0.15 0.58 0.09 0.00 0.00 178.44 179.34 1p4q h VAL 25 N 0.00 1.30 -0.12 1.22 2.07 0.16 -1.01 116.25 119.87 1p4q h VAL 25 Ca -0.00 -1.25 -0.18 0.00 0.82 0.00 0.00 66.70 66.08 1p4q h VAL 25 Cb 1.07 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1p4q h VAL 25 CO 0.06 0.39 -0.66 0.40 0.02 0.00 0.00 177.57 177.79 1p4q h ILE 26 N 0.30 1.35 -0.36 4.57 5.03 -1.35 0.99 117.51 128.04 1p4q h ILE 26 Ca 0.06 -1.99 -0.13 0.00 -0.12 0.00 0.00 64.86 62.67 1p4q h ILE 26 Cb 0.67 1.97 -0.01 0.00 -3.03 0.00 0.00 36.82 36.42 1p4q h ILE 26 CO 0.04 0.61 -0.30 -0.08 -0.68 0.00 0.00 178.15 177.74 1p4q h GLU 27 N 0.35 0.79 0.16 2.37 4.81 -1.34 -3.28 114.58 118.44 1p4q h GLU 27 Ca -0.02 -0.36 -0.33 0.00 -0.13 0.00 0.00 59.36 58.52 1p4q h GLU 27 Cb 1.23 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1p4q h GLU 27 CO 0.12 0.98 -1.66 1.98 -0.73 0.00 0.00 179.01 179.70 1p4q h MET 28 N 0.67 0.34 0.00 1.92 4.05 -1.18 -3.49 114.93 117.24 1p4q h MET 28 Ca 0.08 -0.59 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 1p4q h MET 28 Cb 0.84 0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.85 1p4q h MET 28 CO 0.07 1.28 0.00 0.41 0.23 0.00 0.00 176.91 178.90 1p4q n GLY 29 N 1.84 1.00 0.97 1.39 0.00 0.57 -5.02 105.19 105.93 1p4q n GLY 29 Ca -0.25 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.83 1p4q n GLY 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1p4q n LEU 30 N 0.00 2.80 -0.59 0.99 4.77 0.31 -3.90 117.00 121.37 1p4q n LEU 30 Ca 0.00 -1.40 0.06 0.00 -0.03 0.00 0.00 56.01 54.64 1p4q n LEU 30 Cb 0.00 -0.38 0.13 0.00 -2.33 0.00 0.00 43.42 40.84 1p4q n LEU 30 CO 0.00 0.58 0.35 -0.90 -1.33 0.00 0.00 177.39 176.10 1p4q n ASP 31 N 0.74 1.54 -2.66 -1.43 5.75 -1.25 -4.82 116.55 114.42 1p4q n ASP 31 Ca 0.16 -3.06 -0.03 0.00 -0.01 0.00 0.00 54.79 51.85 1p4q n ASP 31 Cb 0.49 -0.41 0.07 0.00 -1.03 0.00 0.00 41.12 40.24 1p4q n ASP 31 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1p4q n ARG 32 N -0.77 0.11 -3.47 0.11 0.63 -1.25 -5.12 116.66 106.90 1p4q n ARG 32 Ca 0.13 -0.64 -0.38 0.00 -0.92 0.00 0.00 57.85 56.04 1p4q n ARG 32 Cb 0.76 -0.07 -0.06 0.00 0.45 0.00 0.00 32.46 33.53 1p4q n ARG 32 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1p4q s ILE 33 N 0.03 5.04 -0.10 5.15 1.01 -1.26 -5.02 121.20 126.05 1p4q s ILE 33 Ca 0.15 0.86 -0.08 0.00 0.00 0.00 0.00 60.65 61.58 1p4q s ILE 33 Cb 0.22 -3.73 -0.07 0.00 0.01 0.00 0.00 42.46 38.90 1p4q s ILE 33 CO -0.15 0.55 0.27 0.50 0.00 0.00 0.00 174.94 176.11 1p4q h LYS 34 N 4.97 -0.08 -4.02 2.79 3.64 -2.01 -3.45 116.57 118.40 1p4q h LYS 34 Ca -0.50 0.01 -0.51 0.00 -1.27 0.00 0.00 60.65 58.38 1p4q h LYS 34 Cb 1.21 0.02 -0.38 0.00 -0.41 0.00 0.00 32.23 32.67 1p4q h LYS 34 CO 0.63 0.15 -0.79 -1.21 -2.27 0.00 0.00 179.45 175.96 1p4q s GLU 35 N -2.01 1.20 -0.13 1.90 2.02 -1.26 -5.11 118.70 115.30 1p4q s GLU 35 Ca -0.05 -0.23 -0.29 0.00 0.02 0.00 0.00 54.97 54.42 1p4q s GLU 35 Cb -0.00 -1.55 -0.02 0.00 0.10 0.00 0.00 34.13 32.65 1p4q s GLU 35 CO 0.18 -0.34 1.24 -1.17 0.02 0.00 0.00 175.26 175.19 1p4q s LEU 36 N 1.77 4.21 0.90 1.80 2.96 -1.26 -5.02 118.68 124.05 1p4q s LEU 36 Ca 0.04 1.73 -0.12 0.00 -0.22 0.00 0.00 54.13 55.56 1p4q s LEU 36 Cb -0.13 -3.54 0.13 0.00 0.50 0.00 0.00 46.19 43.14 1p4q s LEU 36 CO -0.07 -0.70 1.09 -2.16 -1.32 0.00 0.00 176.35 173.19 1p4q s PRO 37 N 3.06 1.20 0.31 0.98 0.04 -1.26 -5.02 135.00 134.32 1p4q s PRO 37 Ca 0.55 0.82 -0.24 0.00 0.04 0.00 0.00 61.00 62.16 1p4q s PRO 37 Cb -0.23 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 1p4q s PRO 37 CO 0.17 -2.28 0.89 -1.21 0.04 0.00 0.00 177.00 174.61 1p4q s GLU 38 N -4.93 4.47 -0.42 4.56 8.01 -1.26 -5.04 118.70 124.09 1p4q s GLU 38 Ca 0.64 1.20 0.04 0.00 0.01 0.00 0.00 54.97 56.85 1p4q s GLU 38 Cb -0.18 -2.75 0.11 0.00 -4.31 0.00 0.00 34.13 27.00 1p4q s GLU 38 CO 0.57 0.27 0.14 -0.51 0.01 0.00 0.00 175.26 175.75 1p4q s LEU 39 N -2.16 4.63 0.03 1.80 2.01 -1.26 -5.08 118.68 118.65 1p4q s LEU 39 Ca 0.50 -2.49 0.04 0.00 0.01 0.00 0.00 54.13 52.18 1p4q s LEU 39 Cb -0.17 -1.65 -0.02 0.00 0.01 0.00 0.00 46.19 44.36 1p4q s LEU 39 CO 0.22 -0.33 -0.12 0.26 1.01 0.00 0.00 176.35 177.39 1p4q s TRP 40 N 0.44 1.03 0.14 0.29 0.23 -1.26 -5.04 118.94 114.77 1p4q s TRP 40 Ca 0.13 -0.35 -0.06 0.00 -2.03 0.00 0.00 56.10 53.80 1p4q s TRP 40 Cb -0.22 -0.61 0.22 0.00 0.03 0.00 0.00 33.47 32.89 1p4q s TRP 40 CO -0.05 0.01 0.84 1.47 0.96 0.00 0.00 176.95 180.18 1p4q n LEU 41 N 1.94 -0.24 0.00 2.99 -0.00 -1.26 -4.62 117.00 115.81 1p4q n LEU 41 Ca -0.18 0.93 0.00 0.00 -0.00 0.00 0.00 56.01 56.76 1p4q n LEU 41 Cb 0.55 -0.26 0.00 0.00 -0.00 0.00 0.00 43.42 43.71 1p4q n LEU 41 CO 0.23 -0.88 0.00 0.61 -0.00 0.00 0.00 177.39 177.35 1p4q n GLY 42 N -1.32 1.45 3.22 1.47 0.00 -1.26 -4.64 105.19 104.11 1p4q n GLY 42 Ca 0.08 0.55 -0.31 0.00 0.00 0.00 0.00 46.02 46.34 1p4q n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1p4q n GLN 43 N 0.00 -1.71 -0.19 1.61 1.13 -1.26 -4.94 117.38 112.02 1p4q n GLN 43 Ca 0.00 -0.49 0.05 0.00 -1.94 0.00 0.00 57.00 54.63 1p4q n GLN 43 Cb 0.00 -1.64 0.15 0.00 0.11 0.00 0.00 30.24 28.86 1p4q n GLN 43 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1p4q n ASN 44 N -1.46 2.92 -0.05 1.08 3.02 -1.26 -4.50 115.26 115.01 1p4q n ASN 44 Ca 0.01 -2.25 0.14 0.00 -0.03 0.00 0.00 54.58 52.44 1p4q n ASN 44 Cb 0.60 -0.26 0.52 0.00 -0.61 0.00 0.00 39.78 40.02 1p4q n ASN 44 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1p4q n GLU 45 N 0.03 0.28 -1.04 3.52 4.71 -1.26 -3.66 120.64 123.21 1p4q n GLU 45 Ca 0.12 -0.09 0.04 0.00 -0.01 0.00 0.00 57.16 57.22 1p4q n GLU 45 Cb 0.50 -1.50 0.08 0.00 -1.01 0.00 0.00 31.44 29.51 1p4q n GLU 45 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1p4q n PHE 46 N -1.28 0.00 0.05 -0.32 3.72 -1.26 -4.84 117.46 113.53 1p4q n PHE 46 Ca 0.10 -0.74 0.03 0.00 -0.05 0.00 0.00 57.45 56.78 1p4q n PHE 46 Cb 0.31 -0.17 0.18 0.00 -0.94 0.00 0.00 39.48 38.87 1p4q n PHE 46 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1p4q n ASP 47 N -0.13 0.17 0.00 4.37 2.03 -1.24 -1.88 116.55 119.87 1p4q n ASP 47 Ca 0.09 0.56 0.03 0.00 0.52 0.00 0.00 54.79 55.99 1p4q n ASP 47 Cb 0.94 -0.58 0.13 0.00 -0.72 0.00 0.00 41.12 40.88 1p4q n ASP 47 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1p4q n PHE 48 N -1.72 0.00 1.96 -0.67 -0.00 -1.26 -2.04 117.46 113.73 1p4q n PHE 48 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.48 1p4q n PHE 48 Cb 0.04 -0.44 0.20 0.00 -0.00 0.00 0.00 39.48 39.27 1p4q n PHE 48 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1p4q n MET 49 N -1.44 0.98 -0.01 -4.13 2.81 -0.79 -3.79 117.12 110.75 1p4q n MET 49 Ca 0.02 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.89 1p4q n MET 49 Cb 0.06 -1.11 -0.01 0.00 -0.71 0.00 0.00 33.22 31.46 1p4q n MET 49 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1p4q n THR 50 N -0.61 0.11 -1.10 2.03 -2.24 -0.86 -5.00 114.28 106.61 1p4q n THR 50 Ca 0.05 -0.03 -0.03 0.00 -2.27 0.00 0.00 64.05 61.77 1p4q n THR 50 Cb 0.02 -1.40 -0.01 0.00 -2.10 0.00 0.00 70.33 66.84 1p4q n THR 50 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1p4q n ASP 51 N -3.02 -5.23 0.00 3.42 2.03 -1.25 -5.22 116.55 107.28 1p4q n ASP 51 Ca -0.04 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1p4q n ASP 51 Cb 0.53 -3.03 0.00 0.00 -0.72 0.00 0.00 41.12 37.90 1p4q n ASP 51 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61