#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p4q n SER 2 N 0.00 -6.46 -0.12 1.61 2.88 -1.26 -5.05 113.62 105.22 1p4q n SER 2 Ca 0.00 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 1p4q n SER 2 Cb 0.00 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.11 1p4q n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p4q n GLY 3 N -1.31 0.36 1.43 0.46 0.00 -1.26 -5.11 105.19 99.76 1p4q n GLY 3 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1p4q n GLY 3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p4q n SER 4 N 0.00 -0.06 -3.64 1.61 3.41 -1.26 -5.01 113.62 108.68 1p4q n SER 4 Ca 0.00 0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 58.21 1p4q n SER 4 Cb 0.00 0.41 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 1p4q n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p4q n GLY 5 N -1.50 4.69 3.60 5.00 0.00 -1.26 -4.85 105.19 110.87 1p4q n GLY 5 Ca 0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 46.02 44.14 1p4q n GLY 5 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p4q s SER 6 N 1.57 -0.13 -0.57 1.61 0.01 -1.26 -5.11 113.70 109.83 1p4q s SER 6 Ca 0.50 -0.03 -0.27 0.00 1.31 0.00 0.00 55.95 57.46 1p4q s SER 6 Cb 0.14 0.16 -0.00 0.00 0.21 0.00 0.00 66.02 66.53 1p4q s SER 6 CO -0.05 -0.26 1.60 -0.83 0.41 0.00 0.00 173.24 174.10 1p4q s GLY 7 N -2.36 0.64 -0.36 3.44 0.00 -1.26 -4.71 107.32 102.71 1p4q s GLY 7 Ca 0.10 -0.64 0.08 0.00 0.00 0.00 0.00 44.72 44.26 1p4q s GLY 7 CO -0.04 3.05 1.30 -1.26 0.00 0.00 0.00 173.10 176.15 1p4q n SER 8 N 10.73 -1.63 -2.62 1.64 2.88 -1.26 -5.06 113.62 118.30 1p4q n SER 8 Ca 0.15 -2.22 -0.04 0.00 -1.33 0.00 0.00 58.87 55.43 1p4q n SER 8 Cb 0.50 0.93 0.01 0.00 -0.75 0.00 0.00 64.21 64.89 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 -0.71 -7.19 0.00 -3.46 3.02 -1.26 -5.04 115.26 100.63 1p4q n ASN 9 Ca -0.10 0.78 0.00 0.00 -0.03 0.00 0.00 54.58 55.23 1p4q n ASN 9 Cb 0.80 -4.79 0.00 0.00 -0.61 0.00 0.00 39.78 35.18 1p4q n ASN 9 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1p4q n VAL 10 N 0.05 0.00 -0.33 2.41 3.14 -1.26 -5.01 118.33 117.33 1p4q n VAL 10 Ca 0.06 0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 1p4q n VAL 10 Cb 0.24 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.86 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 -2.22 1.55 3.06 -1.26 -5.03 119.36 115.46 1p4q n ILE 11 Ca 0.00 0.00 -0.14 0.00 -2.50 0.00 0.00 62.75 60.11 1p4q n ILE 11 Cb 0.00 -1.65 0.04 0.00 0.54 0.00 0.00 39.64 38.57 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 3.67 0.00 9.51 8.00 -1.26 -4.68 116.55 131.80 1p4q n ASP 12 Ca 0.00 -3.25 0.00 0.00 0.71 0.00 0.00 54.79 52.25 1p4q n ASP 12 Cb 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1p4q n ASP 12 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1p4q n THR 13 N -0.67 0.47 0.22 -3.53 5.66 -1.26 -4.60 114.28 110.56 1p4q n THR 13 Ca 0.31 -0.63 0.10 0.00 -3.05 0.00 0.00 64.05 60.78 1p4q n THR 13 Cb 0.91 0.85 0.47 0.00 -1.55 0.00 0.00 70.33 71.01 1p4q n THR 13 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 1p4q h ASP 14 N 0.00 0.00 0.15 1.09 3.04 -2.01 -2.96 116.42 115.73 1p4q h ASP 14 Ca 0.00 0.00 -0.11 0.00 -3.24 0.00 0.00 57.03 53.68 1p4q h ASP 14 Cb 0.40 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.67 1p4q h ASP 14 CO 0.00 0.24 -1.96 2.22 -2.04 0.00 0.00 179.24 177.70 1p4q n PHE 15 N -3.44 0.17 -1.83 4.15 1.16 -1.26 -4.97 117.46 111.44 1p4q n PHE 15 Ca -0.00 0.05 -0.33 0.00 -1.87 0.00 0.00 57.45 55.30 1p4q n PHE 15 Cb 0.42 -0.71 0.04 0.00 -1.61 0.00 0.00 39.48 37.61 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 -3.20 3.49 -0.10 1.97 2.07 -1.12 -5.02 121.20 119.29 1p4q s ILE 16 Ca -0.07 0.67 -0.16 0.00 -1.41 0.00 0.00 60.65 59.68 1p4q s ILE 16 Cb 0.11 -3.21 -0.05 0.00 0.13 0.00 0.00 42.46 39.45 1p4q s ILE 16 CO 0.87 -0.45 0.41 -0.62 -1.91 0.00 0.00 174.94 173.24 1p4q s ASP 17 N -2.76 6.65 0.54 4.50 2.15 -1.26 -4.95 116.67 121.54 1p4q s ASP 17 Ca 0.65 0.77 0.29 0.00 0.43 0.00 0.00 52.55 54.69 1p4q s ASP 17 Cb -0.18 -2.25 1.57 0.00 -0.30 0.00 0.00 42.92 41.75 1p4q s ASP 17 CO 0.41 0.12 1.86 1.05 -0.17 0.00 0.00 175.17 178.44 1p4q h GLU 18 N 6.14 0.00 0.02 4.34 4.11 -1.95 0.94 114.58 128.17 1p4q h GLU 18 Ca -0.44 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 58.70 1p4q h GLU 18 Cb 1.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1p4q h GLU 18 CO 0.72 0.00 -1.60 1.05 0.07 0.00 0.00 179.01 179.25 1p4q h GLU 19 N 0.00 0.05 0.60 1.06 4.11 -1.99 -3.18 114.58 115.23 1p4q h GLU 19 Ca 0.00 -0.08 -0.03 0.00 0.07 0.00 0.00 59.36 59.32 1p4q h GLU 19 Cb 0.38 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.66 1p4q h GLU 19 CO 0.00 0.70 -0.29 0.28 0.07 0.00 0.00 179.01 179.77 1p4q h VAL 20 N 0.01 0.39 0.00 -1.06 2.07 -1.21 -1.60 116.25 114.85 1p4q h VAL 20 Ca -0.25 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1p4q h VAL 20 Cb 1.98 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1p4q h VAL 20 CO 0.10 0.02 -0.14 0.17 0.02 0.00 0.00 177.57 177.73 1p4q h LEU 21 N -0.88 0.00 -0.01 2.57 8.10 -1.70 -2.58 115.31 120.81 1p4q h LEU 21 Ca -0.08 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.91 1p4q h LEU 21 Cb 0.64 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.86 1p4q h LEU 21 CO 0.13 0.14 0.00 -0.03 -4.11 0.00 0.00 178.44 174.58 1p4q h MET 22 N 0.00 0.01 -0.54 0.17 4.05 -1.44 0.35 114.93 117.53 1p4q h MET 22 Ca -0.00 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1p4q h MET 22 Cb 0.32 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.10 1p4q h MET 22 CO 0.02 0.16 0.35 0.77 0.23 0.00 0.00 176.91 178.44 1p4q h SER 23 N -0.14 0.63 0.63 1.39 0.02 -0.93 -0.62 113.55 114.52 1p4q h SER 23 Ca 0.00 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.83 1p4q h SER 23 Cb 0.15 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1p4q h SER 23 CO -0.00 0.46 -0.46 -0.07 -1.14 0.00 0.00 176.83 175.62 1p4q h LEU 24 N 0.74 0.00 -0.25 5.07 3.38 -1.12 -2.46 115.31 120.66 1p4q h LEU 24 Ca 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1p4q h LEU 24 Cb -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1p4q h LEU 24 CO -0.04 0.46 -0.02 0.58 0.09 0.00 0.00 178.44 179.52 1p4q h VAL 25 N 0.00 1.26 -0.35 1.22 2.07 0.66 -2.42 116.25 118.69 1p4q h VAL 25 Ca -0.00 -0.95 -0.11 0.00 0.82 0.00 0.00 66.70 66.46 1p4q h VAL 25 Cb 0.90 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1p4q h VAL 25 CO 0.06 0.30 -0.22 0.40 0.02 0.00 0.00 177.57 178.13 1p4q h ILE 26 N 0.23 1.27 -0.37 4.57 5.03 -1.40 0.91 117.51 127.74 1p4q h ILE 26 Ca 0.07 -1.31 0.01 0.00 -0.12 0.00 0.00 64.86 63.51 1p4q h ILE 26 Cb 0.45 1.24 -0.02 0.00 -3.03 0.00 0.00 36.82 35.46 1p4q h ILE 26 CO 0.02 0.43 0.23 -0.08 -0.68 0.00 0.00 178.15 178.07 1p4q h GLU 27 N 0.60 0.46 0.20 2.37 4.81 -1.32 -3.14 114.58 118.56 1p4q h GLU 27 Ca 0.09 -0.03 -0.31 0.00 -0.13 0.00 0.00 59.36 58.97 1p4q h GLU 27 Cb 0.70 -0.10 0.02 0.00 0.63 0.00 0.00 28.75 30.00 1p4q h GLU 27 CO 0.05 0.30 -1.47 1.98 -0.73 0.00 0.00 179.01 179.14 1p4q h MET 28 N 0.47 0.43 0.00 1.92 4.05 -1.35 -3.49 114.93 116.96 1p4q h MET 28 Ca 0.14 -0.73 0.00 0.00 -0.28 0.00 0.00 59.70 58.83 1p4q h MET 28 Cb -0.02 0.27 0.00 0.00 -0.80 0.00 0.00 31.60 31.05 1p4q h MET 28 CO -0.05 1.35 0.00 0.41 0.23 0.00 0.00 176.91 178.85 1p4q n GLY 29 N 1.76 0.97 1.25 1.39 0.00 0.15 -5.03 105.19 105.68 1p4q n GLY 29 Ca -0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 3.66 -0.58 0.99 4.77 0.27 -4.11 117.00 122.00 1p4q n LEU 30 Ca 0.00 -1.84 0.06 0.00 -0.03 0.00 0.00 56.01 54.21 1p4q n LEU 30 Cb 0.00 -0.47 0.17 0.00 -2.33 0.00 0.00 43.42 40.80 1p4q n LEU 30 CO 0.00 0.77 0.37 -0.90 -1.33 0.00 0.00 177.39 176.30 1p4q n ASP 31 N 1.14 1.72 -1.68 -1.43 5.75 -1.26 -4.73 116.55 116.07 1p4q n ASP 31 Ca 0.21 -3.53 -0.00 0.00 -0.01 0.00 0.00 54.79 51.45 1p4q n ASP 31 Cb 0.63 -0.48 0.00 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 -1.01 0.07 -2.40 0.11 0.63 -1.26 -5.09 116.66 107.71 1p4q n ARG 32 Ca 0.17 -0.12 -0.43 0.00 -0.92 0.00 0.00 57.85 56.55 1p4q n ARG 32 Cb 0.72 0.02 -0.02 0.00 0.45 0.00 0.00 32.46 33.63 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 0.01 4.14 0.13 5.15 1.01 -1.26 -4.91 121.20 125.47 1p4q s ILE 33 Ca 0.01 1.31 -0.17 0.00 0.00 0.00 0.00 60.65 61.80 1p4q s ILE 33 Cb 0.02 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 1p4q s ILE 33 CO -0.01 -0.38 1.70 0.50 0.00 0.00 0.00 174.94 176.76 1p4q h LYS 34 N 9.13 0.52 -3.88 2.79 3.64 -2.00 -3.42 116.57 123.35 1p4q h LYS 34 Ca -0.27 -0.08 -0.44 0.00 -1.27 0.00 0.00 60.65 58.60 1p4q h LYS 34 Cb 1.10 -0.09 -0.36 0.00 -0.41 0.00 0.00 32.23 32.47 1p4q h LYS 34 CO 1.01 0.47 -0.77 -1.83 -2.27 0.00 0.00 179.45 176.06 1p4q s GLU 35 N -5.70 0.80 -0.46 1.90 -1.05 -1.26 -5.11 118.70 107.82 1p4q s GLU 35 Ca -0.13 -0.01 -0.26 0.00 -0.15 0.00 0.00 54.97 54.41 1p4q s GLU 35 Cb 0.10 -1.00 0.03 0.00 -0.44 0.00 0.00 34.13 32.82 1p4q s GLU 35 CO 0.74 -0.22 0.98 -1.17 0.95 0.00 0.00 175.26 176.54 1p4q s LEU 36 N 1.56 3.91 0.86 1.83 2.96 -1.26 -5.03 118.68 123.50 1p4q s LEU 36 Ca -0.01 0.25 -0.11 0.00 -0.22 0.00 0.00 54.13 54.04 1p4q s LEU 36 Cb -0.13 -3.29 0.11 0.00 0.50 0.00 0.00 46.19 43.38 1p4q s LEU 36 CO -0.04 -1.08 1.10 -2.16 -1.32 0.00 0.00 176.35 172.85 1p4q s PRO 37 N 3.90 1.56 0.61 0.98 0.04 -1.26 -5.00 135.00 135.83 1p4q s PRO 37 Ca 0.40 1.10 -0.18 0.00 0.04 0.00 0.00 61.00 62.37 1p4q s PRO 37 Cb -0.10 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1p4q s PRO 37 CO 0.27 -2.11 1.15 -1.21 0.04 0.00 0.00 177.00 175.13 1p4q s GLU 38 N -4.85 2.99 -0.39 4.56 8.01 -1.26 -5.02 118.70 122.74 1p4q s GLU 38 Ca 0.63 1.61 0.04 0.00 0.01 0.00 0.00 54.97 57.26 1p4q s GLU 38 Cb -0.19 -1.96 0.11 0.00 -4.31 0.00 0.00 34.13 27.79 1p4q s GLU 38 CO 0.57 -1.14 0.11 -0.51 0.01 0.00 0.00 175.26 174.31 1p4q s LEU 39 N -4.29 4.57 0.16 1.80 2.01 -1.26 -5.09 118.68 116.58 1p4q s LEU 39 Ca 0.72 -2.40 0.03 0.00 0.01 0.00 0.00 54.13 52.49 1p4q s LEU 39 Cb -0.25 -1.61 -0.05 0.00 0.01 0.00 0.00 46.19 44.29 1p4q s LEU 39 CO 0.34 -0.34 -0.05 0.26 1.01 0.00 0.00 176.35 177.58 1p4q s TRP 40 N 0.56 1.23 0.04 0.29 0.23 -1.26 -5.06 118.94 114.97 1p4q s TRP 40 Ca 0.13 -0.90 -0.08 0.00 -2.03 0.00 0.00 56.10 53.22 1p4q s TRP 40 Cb -0.21 -0.68 -0.02 0.00 0.03 0.00 0.00 33.47 32.59 1p4q s TRP 40 CO -0.06 -0.07 0.84 1.28 0.96 0.00 0.00 176.95 179.90 1p4q n LEU 41 N -0.22 -0.28 0.00 2.99 7.99 -1.26 -4.86 117.00 121.35 1p4q n LEU 41 Ca -0.09 0.91 0.00 0.00 -0.01 0.00 0.00 56.01 56.82 1p4q n LEU 41 Cb 0.62 -0.28 0.00 0.00 -0.11 0.00 0.00 43.42 43.65 1p4q n LEU 41 CO 0.33 -0.60 0.00 0.61 -1.51 0.00 0.00 177.39 176.22 1p4q n GLY 42 N -1.07 1.35 3.30 -0.72 0.00 -1.26 -4.93 105.19 101.87 1p4q n GLY 42 Ca 0.01 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 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 5.06 -1.66 0.05 1.61 1.13 -1.26 -4.93 117.38 117.38 1p4q n GLN 43 Ca 0.00 -0.46 0.11 0.00 -1.94 0.00 0.00 57.00 54.71 1p4q n GLN 43 Cb 0.00 -1.76 0.05 0.00 0.11 0.00 0.00 30.24 28.64 1p4q n GLN 43 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1p4q n ASN 44 N -2.04 0.66 0.00 1.08 6.94 -1.26 -3.86 115.26 116.78 1p4q n ASN 44 Ca 0.01 0.01 0.14 0.00 -0.02 0.00 0.00 54.58 54.72 1p4q n ASN 44 Cb 0.61 0.59 0.77 0.00 -2.36 0.00 0.00 39.78 39.40 1p4q n ASN 44 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1p4q n GLU 45 N -2.17 0.58 -0.55 -3.83 2.13 -1.26 -2.86 120.64 112.69 1p4q n GLU 45 Ca 0.02 0.01 0.08 0.00 0.66 0.00 0.00 57.16 57.93 1p4q n GLU 45 Cb 0.47 -1.50 0.29 0.00 0.27 0.00 0.00 31.44 30.97 1p4q n GLU 45 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1p4q n PHE 46 N -1.19 1.19 0.08 4.31 3.01 -1.25 -4.60 117.46 119.00 1p4q n PHE 46 Ca 0.16 -0.86 0.05 0.00 1.01 0.00 0.00 57.45 57.82 1p4q n PHE 46 Cb 0.18 -0.36 0.28 0.00 -0.01 0.00 0.00 39.48 39.57 1p4q n PHE 46 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1p4q n ASP 47 N -0.29 0.26 0.00 4.37 9.92 -1.14 -1.93 116.55 127.75 1p4q n ASP 47 Ca 0.23 0.62 0.03 0.00 -0.53 0.00 0.00 54.79 55.14 1p4q n ASP 47 Cb 0.96 -0.66 0.12 0.00 -0.64 0.00 0.00 41.12 40.91 1p4q n ASP 47 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1p4q n PHE 48 N -1.86 0.00 1.74 1.24 3.72 -1.26 -1.99 117.46 119.05 1p4q n PHE 48 Ca -0.01 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.41 1p4q n PHE 48 Cb 0.02 -0.49 0.04 0.00 -0.94 0.00 0.00 39.48 38.11 1p4q n PHE 48 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1p4q n MET 49 N -1.49 1.19 -0.02 -1.08 2.81 -0.81 -3.80 117.12 113.92 1p4q n MET 49 Ca 0.01 -0.29 -0.03 0.00 -1.81 0.00 0.00 57.70 55.59 1p4q n MET 49 Cb 0.06 -1.07 -0.01 0.00 -0.71 0.00 0.00 33.22 31.50 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 -0.26 0.19 -1.10 2.03 -2.24 -0.84 -5.00 114.28 107.05 1p4q n THR 50 Ca 0.03 -0.06 -0.03 0.00 -2.27 0.00 0.00 64.05 61.71 1p4q n THR 50 Cb 0.07 -1.09 -0.01 0.00 -2.10 0.00 0.00 70.33 67.20 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 -2.88 -5.36 0.00 3.42 2.03 -1.25 -5.22 116.55 107.29 1p4q n ASP 51 Ca -0.06 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1p4q n ASP 51 Cb 0.55 -3.16 0.00 0.00 -0.72 0.00 0.00 41.12 37.79 1p4q n ASP 51 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61