#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 5.30 -0.00 1.61 0.15 -1.26 -5.08 113.70 114.42 1p4q s SER 2 Ca 0.00 -0.98 -0.08 0.00 0.70 0.00 0.00 55.95 55.59 1p4q s SER 2 Cb 0.00 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 1p4q s SER 2 CO 0.00 -0.29 0.15 -0.83 1.20 0.00 0.00 173.24 173.47 1p4q s GLY 3 N 1.45 0.03 -0.04 9.45 0.00 -1.26 -5.13 107.32 111.82 1p4q s GLY 3 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 44.72 44.34 1p4q s GLY 3 CO 0.03 -0.22 1.45 -1.35 0.00 0.00 0.00 173.10 173.01 1p4q s SER 4 N -1.34 6.81 0.17 1.64 1.04 -1.26 -5.01 113.70 115.75 1p4q s SER 4 Ca -0.14 2.09 0.05 0.00 0.48 0.00 0.00 55.95 58.42 1p4q s SER 4 Cb -0.07 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 1p4q s SER 4 CO 0.02 -0.79 0.15 -0.83 0.98 0.00 0.00 173.24 172.77 1p4q s GLY 5 N 2.31 1.70 0.19 7.32 0.00 -1.26 -5.11 107.32 112.47 1p4q s GLY 5 Ca 0.65 -1.21 -0.22 0.00 0.00 0.00 0.00 44.72 43.94 1p4q s GLY 5 CO 0.25 -1.22 1.04 -1.35 0.00 0.00 0.00 173.10 171.83 1p4q s SER 6 N -3.14 0.02 0.00 1.64 1.04 -1.26 -5.07 113.70 106.93 1p4q s SER 6 Ca 0.31 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1p4q s SER 6 Cb -0.10 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1p4q s SER 6 CO 0.24 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.06 1p4q n GLY 7 N -0.73 0.67 2.97 7.32 0.00 -1.26 -5.08 105.19 109.08 1p4q n GLY 7 Ca -0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.58 1p4q n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p4q s SER 8 N -2.54 -1.34 -0.34 1.61 0.15 -1.26 -5.04 113.70 104.94 1p4q s SER 8 Ca 0.00 -1.08 -0.08 0.00 0.70 0.00 0.00 55.95 55.48 1p4q s SER 8 Cb 0.00 1.74 0.01 0.00 -1.71 0.00 0.00 66.02 66.06 1p4q s SER 8 CO 0.00 -0.10 0.31 0.59 1.20 0.00 0.00 173.24 175.24 1p4q n ASN 9 N 3.69 -7.29 0.00 5.45 3.02 -1.26 -5.04 115.26 113.83 1p4q n ASN 9 Ca 0.13 0.80 0.00 0.00 -0.03 0.00 0.00 54.58 55.48 1p4q n ASN 9 Cb 0.58 -4.87 0.00 0.00 -0.61 0.00 0.00 39.78 34.88 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 0.06 0.00 0.00 2.41 3.14 -1.26 -5.00 118.33 117.68 1p4q n VAL 10 Ca 0.06 0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 1p4q n VAL 10 Cb 0.24 -0.13 0.00 0.00 -1.06 0.00 0.00 33.84 32.89 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 -2.32 1.55 3.06 -1.26 -5.01 119.36 115.38 1p4q n ILE 11 Ca 0.00 0.00 -0.09 0.00 -2.50 0.00 0.00 62.75 60.16 1p4q n ILE 11 Cb 0.00 -1.26 0.05 0.00 0.54 0.00 0.00 39.64 38.98 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 2.96 -0.50 9.51 9.92 -1.26 -4.78 116.55 132.40 1p4q n ASP 12 Ca 0.00 -2.97 0.07 0.00 -0.53 0.00 0.00 54.79 51.36 1p4q n ASP 12 Cb 0.00 -0.41 0.23 0.00 -0.64 0.00 0.00 41.12 40.30 1p4q n ASP 12 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1p4q n THR 13 N -0.60 0.31 0.38 -3.53 -2.24 -1.26 -3.98 114.28 103.36 1p4q n THR 13 Ca 0.24 -0.35 0.10 0.00 -2.27 0.00 0.00 64.05 61.77 1p4q n THR 13 Cb 0.89 0.21 0.42 0.00 -2.10 0.00 0.00 70.33 69.75 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 0.26 0.41 0.00 3.42 -0.08 -1.26 -2.90 116.55 116.41 1p4q n ASP 14 Ca 0.12 0.61 0.00 0.00 -1.51 0.00 0.00 54.79 54.01 1p4q n ASP 14 Cb 0.26 -0.70 0.00 0.00 2.34 0.00 0.00 41.12 43.02 1p4q n ASP 14 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1p4q n PHE 15 N -1.97 0.00 -2.34 -0.67 1.16 -1.26 -5.06 117.46 107.33 1p4q n PHE 15 Ca 0.02 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.23 1p4q n PHE 15 Cb 0.18 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.03 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 -1.13 3.28 -0.17 1.97 2.07 -1.14 -5.03 121.20 121.05 1p4q s ILE 16 Ca 0.00 0.96 -0.07 0.00 -1.41 0.00 0.00 60.65 60.13 1p4q s ILE 16 Cb 0.00 -3.48 -0.04 0.00 0.13 0.00 0.00 42.46 39.07 1p4q s ILE 16 CO 0.00 -0.02 0.06 -0.62 -1.91 0.00 0.00 174.94 172.45 1p4q s ASP 17 N -1.44 5.63 0.30 4.50 2.15 -1.26 -4.97 116.67 121.58 1p4q s ASP 17 Ca 0.62 0.11 0.23 0.00 0.43 0.00 0.00 52.55 53.95 1p4q s ASP 17 Cb -0.26 -1.92 1.10 0.00 -0.30 0.00 0.00 42.92 41.54 1p4q s ASP 17 CO 0.32 0.21 1.71 -0.62 -0.17 0.00 0.00 175.17 176.63 1p4q n GLU 18 N 3.26 0.18 -0.03 4.34 -0.58 -1.26 -2.05 120.64 124.51 1p4q n GLU 18 Ca -0.17 0.53 -0.11 0.00 -0.42 0.00 0.00 57.16 56.98 1p4q n GLU 18 Cb 0.53 -1.93 -0.14 0.00 -0.57 0.00 0.00 31.44 29.32 1p4q n GLU 18 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1p4q n GLU 19 N -2.29 0.66 0.14 3.49 1.02 -1.26 -3.48 120.64 118.91 1p4q n GLU 19 Ca 0.00 0.26 -0.11 0.00 -0.02 0.00 0.00 57.16 57.29 1p4q n GLU 19 Cb 0.15 -1.75 -0.07 0.00 -0.02 0.00 0.00 31.44 29.75 1p4q n GLU 19 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1p4q h VAL 20 N 0.01 0.57 0.00 2.62 2.07 -1.83 -2.72 116.25 116.98 1p4q h VAL 20 Ca -0.34 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 1p4q h VAL 20 Cb 2.04 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1p4q h VAL 20 CO 0.07 0.13 -0.05 0.17 0.02 0.00 0.00 177.57 177.91 1p4q h LEU 21 N -0.91 0.00 0.47 2.57 8.10 -1.67 -2.60 115.31 121.27 1p4q h LEU 21 Ca -0.04 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.93 1p4q h LEU 21 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.74 1p4q h LEU 21 CO 0.07 0.05 -0.23 -0.03 -4.11 0.00 0.00 178.44 174.19 1p4q h MET 22 N 0.00 -0.61 -0.70 0.17 4.05 -1.58 0.74 114.93 117.00 1p4q h MET 22 Ca -0.00 0.04 0.13 0.00 -0.28 0.00 0.00 59.70 59.59 1p4q h MET 22 Cb 0.11 0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 31.00 1p4q h MET 22 CO 0.01 -0.32 0.47 1.03 0.23 0.00 0.00 176.91 178.33 1p4q h SER 23 N -0.84 0.39 0.24 1.39 0.87 -1.15 0.11 113.55 114.56 1p4q h SER 23 Ca -0.06 0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.35 1p4q h SER 23 Cb 0.57 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1p4q h SER 23 CO 0.11 0.21 -0.65 -0.07 -0.53 0.00 0.00 176.83 175.90 1p4q h LEU 24 N 0.42 0.44 -1.08 2.23 3.38 -1.22 -2.52 115.31 116.96 1p4q h LEU 24 Ca 0.34 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1p4q h LEU 24 Cb 0.74 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 1p4q h LEU 24 CO -0.10 0.97 0.62 0.58 0.09 0.00 0.00 178.44 180.60 1p4q h VAL 25 N 0.28 1.24 -0.05 1.22 2.07 0.17 0.43 116.25 121.60 1p4q h VAL 25 Ca -0.01 -0.43 -0.22 0.00 0.82 0.00 0.00 66.70 66.85 1p4q h VAL 25 Cb 1.20 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1p4q h VAL 25 CO 0.11 0.23 -0.87 0.40 0.02 0.00 0.00 177.57 177.47 1p4q h ILE 26 N 1.26 1.36 -0.15 4.57 5.03 -1.38 1.01 117.51 129.20 1p4q h ILE 26 Ca 0.34 -2.25 -0.20 0.00 -0.12 0.00 0.00 64.86 62.63 1p4q h ILE 26 Cb -0.14 2.25 0.00 0.00 -3.03 0.00 0.00 36.82 35.91 1p4q h ILE 26 CO -0.08 0.68 -0.72 -0.08 -0.68 0.00 0.00 178.15 177.27 1p4q h GLU 27 N 0.32 0.67 0.15 2.37 4.57 -0.97 -3.30 114.58 118.38 1p4q h GLU 27 Ca -0.07 -0.52 -0.27 0.00 -1.18 0.00 0.00 59.36 57.32 1p4q h GLU 27 Cb 1.48 0.10 0.03 0.00 -0.16 0.00 0.00 28.75 30.20 1p4q h GLU 27 CO 0.16 1.14 -1.16 1.98 -1.18 0.00 0.00 179.01 179.95 1p4q h MET 28 N 0.47 0.52 0.00 1.92 4.05 -0.22 -3.48 114.93 118.19 1p4q h MET 28 Ca -0.03 -0.76 0.00 0.00 -0.28 0.00 0.00 59.70 58.63 1p4q h MET 28 Cb 1.33 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 32.39 1p4q h MET 28 CO 0.14 1.34 0.00 0.41 0.23 0.00 0.00 176.91 179.04 1p4q n GLY 29 N 1.49 0.98 1.46 1.39 0.00 -0.32 -5.03 105.19 105.16 1p4q n GLY 29 Ca -0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 4.29 -1.40 0.99 4.77 0.33 -4.25 117.00 121.73 1p4q n LEU 30 Ca 0.00 -2.16 -0.02 0.00 -0.03 0.00 0.00 56.01 53.80 1p4q n LEU 30 Cb 0.00 -0.53 0.10 0.00 -2.33 0.00 0.00 43.42 40.66 1p4q n LEU 30 CO 0.00 0.88 0.21 -0.90 -1.33 0.00 0.00 177.39 176.24 1p4q n ASP 31 N 1.36 2.29 -2.66 -1.43 5.75 -1.24 -4.84 116.55 115.78 1p4q n ASP 31 Ca 0.25 -3.23 -0.03 0.00 -0.01 0.00 0.00 54.79 51.77 1p4q n ASP 31 Cb 0.75 -0.43 0.10 0.00 -1.03 0.00 0.00 41.12 40.51 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 -0.61 0.09 -3.87 0.11 0.63 -1.26 -5.09 116.66 106.65 1p4q n ARG 32 Ca 0.21 -0.63 -0.35 0.00 -0.92 0.00 0.00 57.85 56.16 1p4q n ARG 32 Cb 0.87 -0.11 -0.10 0.00 0.45 0.00 0.00 32.46 33.57 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 0.04 4.88 -0.00 5.15 1.01 -1.26 -4.98 121.20 126.03 1p4q s ILE 33 Ca 0.22 0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.95 1p4q s ILE 33 Cb 0.27 -3.23 -0.24 0.00 0.01 0.00 0.00 42.46 39.27 1p4q s ILE 33 CO -0.16 0.41 0.81 0.11 0.00 0.00 0.00 174.94 176.11 1p4q h LYS 34 N 7.15 0.06 -3.26 2.79 1.57 -2.01 -3.44 116.57 119.43 1p4q h LYS 34 Ca -0.37 -0.10 -0.47 0.00 -1.87 0.00 0.00 60.65 57.83 1p4q h LYS 34 Cb 1.17 0.04 -0.40 0.00 0.08 0.00 0.00 32.23 33.11 1p4q h LYS 34 CO 0.67 0.76 -0.75 -1.83 -0.57 0.00 0.00 179.45 177.73 1p4q s GLU 35 N -2.62 0.27 -0.46 3.15 1.03 -1.26 -5.11 118.70 113.70 1p4q s GLU 35 Ca -0.05 -0.15 -0.28 0.00 0.03 0.00 0.00 54.97 54.51 1p4q s GLU 35 Cb 0.08 -1.79 0.03 0.00 -0.80 0.00 0.00 34.13 31.65 1p4q s GLU 35 CO 0.82 -0.62 1.10 -1.17 -1.33 0.00 0.00 175.26 174.06 1p4q s LEU 36 N 2.04 3.72 1.01 1.83 2.96 -1.26 -5.02 118.68 123.96 1p4q s LEU 36 Ca 0.01 0.49 -0.12 0.00 -0.22 0.00 0.00 54.13 54.29 1p4q s LEU 36 Cb -0.16 -3.50 0.19 0.00 0.50 0.00 0.00 46.19 43.23 1p4q s LEU 36 CO -0.08 -1.18 1.08 -2.16 -1.32 0.00 0.00 176.35 172.69 1p4q s PRO 37 N 4.26 0.33 0.07 0.98 0.04 -1.26 -5.02 135.00 134.41 1p4q s PRO 37 Ca 0.46 1.04 -0.09 0.00 0.04 0.00 0.00 61.00 62.45 1p4q s PRO 37 Cb -0.08 -1.69 -0.06 0.00 0.04 0.00 0.00 34.50 32.72 1p4q s PRO 37 CO 0.29 -2.94 0.39 -1.21 0.04 0.00 0.00 177.00 173.57 1p4q s GLU 38 N -4.67 3.74 -0.41 4.56 0.41 -1.26 -5.07 118.70 116.00 1p4q s GLU 38 Ca 0.66 0.14 0.04 0.00 -0.41 0.00 0.00 54.97 55.40 1p4q s GLU 38 Cb -0.22 -3.00 0.11 0.00 -1.78 0.00 0.00 34.13 29.24 1p4q s GLU 38 CO 0.60 0.57 0.13 -0.51 -0.49 0.00 0.00 175.26 175.56 1p4q s LEU 39 N -1.91 4.61 -0.04 1.80 2.01 -1.26 -5.08 118.68 118.82 1p4q s LEU 39 Ca 0.33 -2.48 0.02 0.00 0.01 0.00 0.00 54.13 52.01 1p4q s LEU 39 Cb -0.14 -1.64 0.01 0.00 0.01 0.00 0.00 46.19 44.43 1p4q s LEU 39 CO 0.18 -0.33 -0.09 0.26 1.01 0.00 0.00 176.35 177.38 1p4q s TRP 40 N 0.45 1.01 -0.82 0.29 0.23 -1.26 -5.05 118.94 113.79 1p4q s TRP 40 Ca 0.13 -0.29 -0.14 0.00 -2.03 0.00 0.00 56.10 53.77 1p4q s TRP 40 Cb -0.22 -0.75 -0.24 0.00 0.03 0.00 0.00 33.47 32.29 1p4q s TRP 40 CO -0.05 -0.15 1.94 1.28 0.96 0.00 0.00 176.95 180.93 1p4q n LEU 41 N 3.54 -0.65 0.03 2.99 4.77 -1.26 -4.61 117.00 121.82 1p4q n LEU 41 Ca -0.21 -0.22 -0.01 0.00 -0.03 0.00 0.00 56.01 55.55 1p4q n LEU 41 Cb 0.53 -0.56 -0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1p4q n LEU 41 CO 0.25 -0.95 -0.16 0.61 -1.33 0.00 0.00 177.39 175.81 1p4q n GLY 42 N 4.84 -0.06 3.40 -0.72 0.00 -1.26 -5.07 105.19 106.31 1p4q n GLY 42 Ca 0.55 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 46.26 1p4q n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p4q n GLN 43 N -3.43 -2.39 0.00 1.61 0.00 -1.26 -4.97 117.38 106.93 1p4q n GLN 43 Ca -0.01 -0.67 0.01 0.00 0.00 0.00 0.00 57.00 56.33 1p4q n GLN 43 Cb 0.14 -2.01 0.00 0.00 0.00 0.00 0.00 30.24 28.37 1p4q n GLN 43 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1p4q n ASN 44 N -4.05 0.71 -0.61 2.61 4.13 -1.26 -4.58 115.26 112.21 1p4q n ASN 44 Ca 0.02 -0.86 0.13 0.00 1.68 0.00 0.00 54.58 55.55 1p4q n ASN 44 Cb 0.57 0.45 0.25 0.00 -1.54 0.00 0.00 39.78 39.51 1p4q n ASN 44 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1p4q n GLU 45 N -0.40 1.68 -0.47 3.52 -0.58 -1.26 -4.08 120.64 119.05 1p4q n GLU 45 Ca 0.01 -1.23 0.06 0.00 -0.42 0.00 0.00 57.16 55.57 1p4q n GLU 45 Cb 0.05 -1.47 0.10 0.00 -0.57 0.00 0.00 31.44 29.54 1p4q n GLU 45 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1p4q n PHE 46 N 0.42 0.00 0.11 -0.32 3.72 -1.26 -4.79 117.46 115.34 1p4q n PHE 46 Ca 0.14 -0.72 0.07 0.00 -0.05 0.00 0.00 57.45 56.89 1p4q n PHE 46 Cb 0.46 -0.14 0.38 0.00 -0.94 0.00 0.00 39.48 39.24 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 -0.71 0.36 0.00 4.37 -0.08 -1.26 -1.84 116.55 117.39 1p4q n ASP 47 Ca 0.10 0.66 0.03 0.00 -1.51 0.00 0.00 54.79 54.08 1p4q n ASP 47 Cb 0.73 -0.71 0.14 0.00 2.34 0.00 0.00 41.12 43.62 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 -1.99 0.00 1.72 -0.67 3.01 -1.26 -2.10 117.46 116.17 1p4q n PHE 48 Ca -0.01 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.52 1p4q n PHE 48 Cb 0.03 -0.43 0.40 0.00 -0.01 0.00 0.00 39.48 39.47 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 0.86 -0.02 -1.08 2.81 -0.77 -3.89 117.12 113.60 1p4q n MET 49 Ca 0.02 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.87 1p4q n MET 49 Cb 0.07 -1.24 -0.01 0.00 -0.71 0.00 0.00 33.22 31.32 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 -0.74 1.18 -1.09 2.03 -2.24 -0.89 -4.99 114.28 107.54 1p4q n THR 50 Ca 0.10 0.27 -0.03 0.00 -2.27 0.00 0.00 64.05 62.12 1p4q n THR 50 Cb 0.05 -1.87 -0.01 0.00 -2.10 0.00 0.00 70.33 66.40 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 -3.77 -5.19 0.00 3.42 -0.08 -1.25 -5.23 116.55 104.44 1p4q n ASP 51 Ca -0.06 0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1p4q n ASP 51 Cb 0.22 -2.95 0.00 0.00 2.34 0.00 0.00 41.12 40.73 1p4q n ASP 51 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65