#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p4q h SER 2 N 0.00 -0.25 0.00 1.61 0.87 -2.12 -3.48 113.55 110.19 1p4q h SER 2 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1p4q h SER 2 Cb 0.00 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1p4q h SER 2 CO 0.00 -0.06 0.00 0.61 -0.53 0.00 0.00 176.83 176.85 1p4q n GLY 3 N 0.36 -0.13 2.71 5.77 0.00 -1.26 -5.11 105.19 107.53 1p4q n GLY 3 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 1p4q n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1p4q n SER 4 N -2.19 -7.33 -3.23 1.61 7.64 -1.26 -5.04 113.62 103.82 1p4q n SER 4 Ca 0.00 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1p4q n SER 4 Cb 0.00 -4.94 0.00 0.00 -1.01 0.00 0.00 64.21 58.26 1p4q n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p4q n GLY 5 N -0.35 -0.35 2.66 0.23 0.00 -1.26 -4.91 105.19 101.20 1p4q n GLY 5 Ca 0.10 -1.41 -0.03 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 -4.16 -4.71 1.61 2.88 -1.26 -5.00 113.62 102.98 1p4q n SER 6 Ca 0.00 1.41 -0.35 0.00 -1.33 0.00 0.00 58.87 58.59 1p4q n SER 6 Cb 0.00 -5.34 -0.09 0.00 -0.75 0.00 0.00 64.21 58.03 1p4q n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1p4q s GLY 7 N -1.16 1.93 -0.45 0.46 0.00 -1.26 -5.05 107.32 101.79 1p4q s GLY 7 Ca -0.15 -0.75 0.05 0.00 0.00 0.00 0.00 44.72 43.87 1p4q s GLY 7 CO 0.80 -0.35 0.51 -0.45 0.00 0.00 0.00 173.10 173.62 1p4q s SER 8 N -0.56 0.11 0.00 1.64 0.15 -1.26 -4.93 113.70 108.85 1p4q s SER 8 Ca 0.10 -2.29 0.00 0.00 0.70 0.00 0.00 55.95 54.47 1p4q s SER 8 Cb -0.12 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1p4q s SER 8 CO 0.02 -0.13 0.00 -0.46 1.20 0.00 0.00 173.24 173.87 1p4q n ASN 9 N 3.08 0.00 0.00 5.45 6.94 -1.26 -5.12 115.26 124.35 1p4q n ASN 9 Ca 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.78 1p4q n ASN 9 Cb 0.51 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 1p4q n ASN 9 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 1p4q n VAL 10 N 0.00 0.00 0.00 3.53 3.14 -1.26 -4.99 118.33 118.75 1p4q n VAL 10 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1p4q n VAL 10 Cb 0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 33.84 32.77 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 -2.38 1.55 3.06 -1.26 -4.98 119.36 115.34 1p4q n ILE 11 Ca 0.00 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.14 1p4q n ILE 11 Cb 0.00 -0.43 0.04 0.00 0.54 0.00 0.00 39.64 39.79 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 3.16 -0.24 9.51 8.00 -1.26 -4.80 116.55 130.92 1p4q n ASP 12 Ca 0.00 -2.93 0.07 0.00 0.71 0.00 0.00 54.79 52.64 1p4q n ASP 12 Cb 0.00 -0.41 0.33 0.00 -0.02 0.00 0.00 41.12 41.02 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 -0.63 0.12 0.29 -3.53 -2.24 -1.26 -3.89 114.28 103.15 1p4q n THR 13 Ca 0.25 -0.16 0.10 0.00 -2.27 0.00 0.00 64.05 61.97 1p4q n THR 13 Cb 0.89 0.02 0.47 0.00 -2.10 0.00 0.00 70.33 69.61 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 -0.24 0.52 0.00 3.42 2.03 -1.26 -2.50 116.55 118.51 1p4q n ASP 14 Ca 0.11 0.67 0.00 0.00 0.52 0.00 0.00 54.79 56.09 1p4q n ASP 14 Cb 0.15 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 39.79 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 -2.12 0.00 -2.35 -0.67 1.16 -1.25 -5.06 117.46 107.17 1p4q n PHE 15 Ca 0.01 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.22 1p4q n PHE 15 Cb 0.14 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 37.99 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 -0.59 3.30 -0.20 1.97 2.07 -1.04 -5.03 121.20 121.69 1p4q s ILE 16 Ca 0.00 0.99 -0.07 0.00 -1.41 0.00 0.00 60.65 60.16 1p4q s ILE 16 Cb 0.00 -3.51 -0.04 0.00 0.13 0.00 0.00 42.46 39.04 1p4q s ILE 16 CO 0.00 0.00 0.07 -0.62 -1.91 0.00 0.00 174.94 172.48 1p4q s ASP 17 N -1.40 5.56 0.16 4.50 -1.08 -1.26 -4.97 116.67 118.18 1p4q s ASP 17 Ca 0.61 0.03 0.16 0.00 -0.52 0.00 0.00 52.55 52.84 1p4q s ASP 17 Cb -0.27 -1.96 0.75 0.00 -1.46 0.00 0.00 42.92 39.98 1p4q s ASP 17 CO 0.33 0.13 1.50 -1.84 0.52 0.00 0.00 175.17 175.82 1p4q n GLU 18 N 3.80 0.10 -0.04 4.34 0.28 -1.26 -2.07 120.64 125.79 1p4q n GLU 18 Ca -0.16 0.44 -0.10 0.00 -0.16 0.00 0.00 57.16 57.18 1p4q n GLU 18 Cb 0.52 -1.73 -0.14 0.00 1.43 0.00 0.00 31.44 31.52 1p4q n GLU 18 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1p4q n GLU 19 N -1.92 0.66 0.05 3.44 -0.58 -1.26 -3.67 120.64 117.37 1p4q n GLU 19 Ca 0.01 0.22 -0.11 0.00 -0.42 0.00 0.00 57.16 56.86 1p4q n GLU 19 Cb 0.13 -1.72 -0.08 0.00 -0.57 0.00 0.00 31.44 29.20 1p4q n GLU 19 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1p4q h VAL 20 N 0.01 0.85 0.00 2.62 2.07 -1.83 -2.72 116.25 117.24 1p4q h VAL 20 Ca -0.37 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 1p4q h VAL 20 Cb 2.07 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 33.26 1p4q h VAL 20 CO 0.06 0.22 -0.02 0.17 0.02 0.00 0.00 177.57 178.02 1p4q h LEU 21 N -0.86 0.00 0.27 2.57 8.10 -1.69 -2.65 115.31 121.05 1p4q h LEU 21 Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.95 1p4q h LEU 21 Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.75 1p4q h LEU 21 CO 0.04 0.02 -0.13 -0.03 -4.11 0.00 0.00 178.44 174.23 1p4q h MET 22 N 0.00 -0.35 -0.69 0.17 4.05 -1.62 -0.86 114.93 115.62 1p4q h MET 22 Ca -0.00 0.02 0.14 0.00 -0.28 0.00 0.00 59.70 59.59 1p4q h MET 22 Cb 0.06 0.08 -0.10 0.00 -0.80 0.00 0.00 31.60 30.84 1p4q h MET 22 CO 0.00 0.00 0.17 1.03 0.23 0.00 0.00 176.91 178.34 1p4q h SER 23 N -0.86 0.03 0.88 1.39 0.87 -1.15 0.27 113.55 114.98 1p4q h SER 23 Ca -0.04 0.13 -0.08 0.00 -1.23 0.00 0.00 61.79 60.58 1p4q h SER 23 Cb 0.51 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 1p4q h SER 23 CO 0.06 -0.01 -0.37 0.17 -0.53 0.00 0.00 176.83 176.15 1p4q h LEU 24 N 0.28 0.00 -0.29 2.23 8.10 -1.55 -1.83 115.31 122.25 1p4q h LEU 24 Ca 0.38 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 58.31 1p4q h LEU 24 Cb 0.62 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.83 1p4q h LEU 24 CO -0.47 0.37 -0.07 0.58 -4.11 0.00 0.00 178.44 174.74 1p4q h VAL 25 N 0.00 1.28 -0.09 0.15 2.07 0.96 -0.44 116.25 120.18 1p4q h VAL 25 Ca -0.00 -1.11 -0.17 0.00 0.82 0.00 0.00 66.70 66.24 1p4q h VAL 25 Cb 0.91 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1p4q h VAL 25 CO 0.05 0.35 -0.67 0.40 0.02 0.00 0.00 177.57 177.72 1p4q h ILE 26 N 0.33 1.37 -0.40 4.57 5.03 -1.03 0.94 117.51 128.33 1p4q h ILE 26 Ca 0.07 -2.06 -0.12 0.00 -0.12 0.00 0.00 64.86 62.64 1p4q h ILE 26 Cb 0.56 2.04 -0.01 0.00 -3.03 0.00 0.00 36.82 36.37 1p4q h ILE 26 CO 0.03 0.62 -0.24 -0.33 -0.68 0.00 0.00 178.15 177.55 1p4q h GLU 27 N 0.28 0.81 0.16 2.37 5.08 -1.23 -3.27 114.58 118.78 1p4q h GLU 27 Ca -0.02 -0.34 -0.32 0.00 -1.00 0.00 0.00 59.36 57.68 1p4q h GLU 27 Cb 1.23 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.45 1p4q h GLU 27 CO 0.11 0.97 -1.61 1.98 -1.00 0.00 0.00 179.01 179.46 1p4q h MET 28 N 0.70 0.34 0.00 2.33 4.05 -1.06 -3.49 114.93 117.80 1p4q h MET 28 Ca 0.09 -0.59 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 1p4q h MET 28 Cb 0.77 0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.79 1p4q h MET 28 CO 0.06 1.28 0.00 0.41 0.23 0.00 0.00 176.91 178.89 1p4q n GLY 29 N 1.82 1.00 1.17 1.39 0.00 0.32 -5.03 105.19 105.86 1p4q n GLY 29 Ca -0.24 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 3.42 -0.98 0.99 4.77 0.30 -4.05 117.00 121.44 1p4q n LEU 30 Ca 0.00 -1.72 0.05 0.00 -0.03 0.00 0.00 56.01 54.32 1p4q n LEU 30 Cb 0.00 -0.44 0.13 0.00 -2.33 0.00 0.00 43.42 40.78 1p4q n LEU 30 CO 0.00 0.72 0.23 -0.90 -1.33 0.00 0.00 177.39 176.11 1p4q n ASP 31 N 1.03 1.41 -1.58 -1.43 5.75 -1.25 -4.77 116.55 115.70 1p4q n ASP 31 Ca 0.20 -3.09 -0.01 0.00 -0.01 0.00 0.00 54.79 51.88 1p4q n ASP 31 Cb 0.59 -0.43 0.02 0.00 -1.03 0.00 0.00 41.12 40.27 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 -0.43 0.26 -2.51 0.11 0.00 -1.26 -5.09 116.66 107.74 1p4q n ARG 32 Ca 0.13 -0.27 -0.42 0.00 -0.00 0.00 0.00 57.85 57.29 1p4q n ARG 32 Cb 0.89 0.17 -0.03 0.00 0.00 0.00 0.00 32.46 33.48 1p4q n ARG 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1p4q s ILE 33 N 0.02 4.26 -0.02 5.15 1.01 -1.26 -4.97 121.20 125.40 1p4q s ILE 33 Ca 0.02 1.64 -0.17 0.00 0.00 0.00 0.00 60.65 62.13 1p4q s ILE 33 Cb 0.09 -4.05 -0.09 0.00 0.01 0.00 0.00 42.46 38.41 1p4q s ILE 33 CO -0.02 0.14 0.75 0.50 0.00 0.00 0.00 174.94 176.31 1p4q h LYS 34 N 6.71 -0.60 -5.20 2.79 1.63 -2.01 -3.44 116.57 116.46 1p4q h LYS 34 Ca -0.42 0.04 -0.67 0.00 -0.85 0.00 0.00 60.65 58.75 1p4q h LYS 34 Cb 1.22 0.14 -0.33 0.00 -0.60 0.00 0.00 32.23 32.65 1p4q h LYS 34 CO 0.79 -0.40 -0.86 -2.00 -3.45 0.00 0.00 179.45 173.53 1p4q s GLU 35 N -3.60 3.06 -0.44 1.90 2.56 -1.26 -5.09 118.70 115.83 1p4q s GLU 35 Ca -0.09 -0.84 -0.29 0.00 0.00 0.00 0.00 54.97 53.76 1p4q s GLU 35 Cb 0.01 -2.47 0.01 0.00 2.00 0.00 0.00 34.13 33.68 1p4q s GLU 35 CO 0.27 -0.01 1.43 -1.17 -0.56 0.00 0.00 175.26 175.23 1p4q s LEU 36 N 0.82 3.54 1.07 2.70 2.96 -1.26 -5.00 118.68 123.50 1p4q s LEU 36 Ca -0.07 0.73 -0.12 0.00 -0.22 0.00 0.00 54.13 54.45 1p4q s LEU 36 Cb -0.15 -3.43 0.21 0.00 0.50 0.00 0.00 46.19 43.31 1p4q s LEU 36 CO -0.02 -1.52 0.92 -0.81 -1.32 0.00 0.00 176.35 173.60 1p4q n PRO 37 N 8.22 -1.54 -3.65 0.98 -0.04 -1.26 -5.00 135.00 132.72 1p4q n PRO 37 Ca 0.16 -0.41 -0.37 0.00 -0.04 0.00 0.00 63.50 62.85 1p4q n PRO 37 Cb 0.48 -2.17 -0.06 0.00 -0.04 0.00 0.00 33.50 31.71 1p4q n PRO 37 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1p4q s GLU 38 N -4.33 3.72 -0.42 0.54 8.01 -1.26 -5.07 118.70 119.90 1p4q s GLU 38 Ca 0.66 0.17 0.03 0.00 0.01 0.00 0.00 54.97 55.84 1p4q s GLU 38 Cb -0.23 -3.17 0.11 0.00 -4.31 0.00 0.00 34.13 26.54 1p4q s GLU 38 CO 0.63 0.70 0.15 -0.51 0.01 0.00 0.00 175.26 176.23 1p4q s LEU 39 N -1.25 4.64 -0.06 1.80 2.01 -1.26 -5.07 118.68 119.48 1p4q s LEU 39 Ca 0.23 -2.49 0.01 0.00 0.01 0.00 0.00 54.13 51.89 1p4q s LEU 39 Cb -0.15 -1.65 0.02 0.00 0.01 0.00 0.00 46.19 44.42 1p4q s LEU 39 CO 0.12 -0.33 -0.08 0.26 1.01 0.00 0.00 176.35 177.33 1p4q s TRP 40 N 0.44 1.07 -0.70 0.29 0.23 -1.26 -5.05 118.94 113.96 1p4q s TRP 40 Ca 0.13 -0.36 -0.13 0.00 -2.03 0.00 0.00 56.10 53.71 1p4q s TRP 40 Cb -0.22 -0.86 -0.20 0.00 0.03 0.00 0.00 33.47 32.22 1p4q s TRP 40 CO -0.05 -0.25 1.68 1.47 0.96 0.00 0.00 176.95 180.77 1p4q n LEU 41 N 4.03 -0.51 -0.11 2.99 -0.00 -1.26 -4.71 117.00 117.44 1p4q n LEU 41 Ca -0.23 -0.17 -0.19 0.00 -0.00 0.00 0.00 56.01 55.42 1p4q n LEU 41 Cb 0.51 -0.49 -0.06 0.00 -0.00 0.00 0.00 43.42 43.38 1p4q n LEU 41 CO 0.23 -0.80 -1.04 0.61 -0.00 0.00 0.00 177.39 176.39 1p4q n GLY 42 N 4.18 -0.47 3.86 1.47 0.00 -1.26 -5.00 105.19 107.97 1p4q n GLY 42 Ca 0.47 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 1p4q n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p4q s GLN 43 N -2.66 3.82 -0.00 1.61 -0.21 -1.26 -4.99 119.66 115.96 1p4q s GLN 43 Ca -0.32 0.66 0.20 0.00 0.02 0.00 0.00 55.36 55.92 1p4q s GLN 43 Cb 0.09 -2.27 -0.23 0.00 1.00 0.00 0.00 33.01 31.60 1p4q s GLN 43 CO 0.44 -0.16 0.78 0.09 -2.12 0.00 0.00 175.29 174.32 1p4q n ASN 44 N -1.53 0.84 0.00 5.90 5.03 -1.26 -4.22 115.26 120.02 1p4q n ASN 44 Ca 0.04 -0.82 0.15 0.00 0.87 0.00 0.00 54.58 54.82 1p4q n ASN 44 Cb 0.54 1.15 0.75 0.00 -1.02 0.00 0.00 39.78 41.20 1p4q n ASN 44 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1p4q n GLU 45 N -1.59 0.43 -1.09 3.52 4.71 -1.26 -3.25 120.64 122.11 1p4q n GLU 45 Ca 0.03 0.01 -0.15 0.00 -0.01 0.00 0.00 57.16 57.03 1p4q n GLU 45 Cb 0.35 -1.50 0.17 0.00 -1.01 0.00 0.00 31.44 29.44 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 2.02 0.07 -0.32 3.72 -1.26 -4.66 117.46 115.75 1p4q n PHE 46 Ca 0.14 -1.90 0.04 0.00 -0.05 0.00 0.00 57.45 55.69 1p4q n PHE 46 Cb 0.23 -0.72 0.23 0.00 -0.94 0.00 0.00 39.48 38.29 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 -1.08 0.22 0.00 4.37 -0.08 -1.20 -1.85 116.55 116.94 1p4q n ASP 47 Ca 0.45 0.59 0.03 0.00 -1.51 0.00 0.00 54.79 54.35 1p4q n ASP 47 Cb 1.17 -0.62 0.12 0.00 2.34 0.00 0.00 41.12 44.13 1p4q n ASP 47 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1p4q n PHE 48 N -1.79 0.00 1.87 -0.67 3.01 -1.26 -1.99 117.46 116.62 1p4q n PHE 48 Ca -0.01 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.49 1p4q n PHE 48 Cb 0.03 -0.43 0.19 0.00 -0.01 0.00 0.00 39.48 39.26 1p4q n PHE 48 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1p4q n MET 49 N -1.43 0.93 -0.01 -1.08 2.81 -0.77 -3.63 117.12 113.94 1p4q n MET 49 Ca 0.02 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.90 1p4q n MET 49 Cb 0.06 -1.11 -0.00 0.00 -0.71 0.00 0.00 33.22 31.45 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 0.06 -1.12 2.03 -2.24 -0.84 -5.01 114.28 106.56 1p4q n THR 50 Ca 0.05 -0.02 -0.04 0.00 -2.27 0.00 0.00 64.05 61.77 1p4q n THR 50 Cb 0.02 -0.98 -0.02 0.00 -2.10 0.00 0.00 70.33 67.25 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 -2.77 -5.29 0.00 3.42 -0.08 -1.24 -5.22 116.55 105.37 1p4q n ASP 51 Ca -0.02 0.10 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 1p4q n ASP 51 Cb 0.52 -3.14 0.00 0.00 2.34 0.00 0.00 41.12 40.84 1p4q n ASP 51 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65