#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 -0.39 0.00 1.61 1.04 -1.26 -5.04 113.70 109.66 1p4q s SER 2 Ca 0.00 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1p4q s SER 2 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1p4q s SER 2 CO 0.00 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.81 1p4q n GLY 3 N 2.99 -0.09 3.48 7.32 0.00 -1.26 -5.18 105.19 112.45 1p4q n GLY 3 Ca 0.10 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 3.21 0.00 1.61 3.41 -1.26 -4.97 113.62 115.62 1p4q n SER 4 Ca 0.00 -3.05 0.00 0.00 -0.26 0.00 0.00 58.87 55.56 1p4q n SER 4 Cb 0.00 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 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 -0.86 -3.42 3.69 5.00 0.00 -1.26 -4.94 105.19 103.40 1p4q n GLY 5 Ca -0.17 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.28 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 -0.26 7.19 0.00 1.61 0.01 -1.26 -4.37 113.70 116.62 1p4q s SER 6 Ca 0.00 1.66 0.00 0.00 1.31 0.00 0.00 55.95 58.92 1p4q s SER 6 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1p4q s SER 6 CO 0.00 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.79 1p4q n GLY 7 N 3.16 -0.25 2.83 3.44 0.00 -1.26 -5.09 105.19 108.02 1p4q n GLY 7 Ca 0.09 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 1p4q n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p4q s SER 8 N -1.16 -0.67 -1.11 1.61 0.01 -1.26 -4.97 113.70 106.15 1p4q s SER 8 Ca 0.00 -1.65 -0.04 0.00 1.31 0.00 0.00 55.95 55.57 1p4q s SER 8 Cb 0.00 1.39 -0.04 0.00 0.21 0.00 0.00 66.02 67.58 1p4q s SER 8 CO 0.00 -0.13 0.94 0.59 0.41 0.00 0.00 173.24 175.05 1p4q n ASN 9 N 3.52 -4.83 0.00 2.44 3.02 -1.26 -5.00 115.26 113.15 1p4q n ASN 9 Ca 0.17 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 1p4q n ASN 9 Cb 0.53 -5.11 0.00 0.00 -0.61 0.00 0.00 39.78 34.59 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 -3.60 0.00 -0.90 2.41 3.14 -1.26 -4.99 118.33 113.13 1p4q n VAL 10 Ca -0.16 0.16 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1p4q n VAL 10 Cb 0.64 -0.49 0.00 0.00 -1.06 0.00 0.00 33.84 32.93 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 -2.18 1.55 3.06 -1.26 -5.03 119.36 115.50 1p4q n ILE 11 Ca 0.00 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 60.08 1p4q n ILE 11 Cb 0.00 -1.71 0.04 0.00 0.54 0.00 0.00 39.64 38.51 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 -0.96 4.01 -0.41 9.51 8.00 -1.26 -4.77 116.55 130.68 1p4q n ASP 12 Ca 0.00 -3.36 0.03 0.00 0.71 0.00 0.00 54.79 52.17 1p4q n ASP 12 Cb 0.00 -0.38 0.09 0.00 -0.02 0.00 0.00 41.12 40.81 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 -0.69 0.30 0.89 -3.53 -2.24 -1.26 -3.88 114.28 103.88 1p4q n THR 13 Ca 0.34 -0.27 0.10 0.00 -2.27 0.00 0.00 64.05 61.95 1p4q n THR 13 Cb 0.92 0.09 0.50 0.00 -2.10 0.00 0.00 70.33 69.74 1p4q n THR 13 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1p4q n ASP 14 N 0.09 0.00 0.00 3.42 9.92 -1.26 -2.75 116.55 125.97 1p4q n ASP 14 Ca 0.07 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 1p4q n ASP 14 Cb 0.19 -0.36 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 1p4q n ASP 14 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1p4q n PHE 15 N -1.36 0.00 -2.38 1.24 1.16 -1.25 -5.05 117.46 109.83 1p4q n PHE 15 Ca 0.08 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.31 1p4q n PHE 15 Cb 0.19 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.04 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 -0.73 3.39 -0.13 1.97 2.07 -1.11 -5.03 121.20 121.63 1p4q s ILE 16 Ca 0.00 0.95 -0.05 0.00 -1.41 0.00 0.00 60.65 60.14 1p4q s ILE 16 Cb 0.00 -3.43 -0.04 0.00 0.13 0.00 0.00 42.46 39.12 1p4q s ILE 16 CO 0.00 -0.11 0.06 -0.62 -1.91 0.00 0.00 174.94 172.37 1p4q s ASP 17 N -1.66 5.69 0.58 4.50 -1.08 -1.26 -4.98 116.67 118.46 1p4q s ASP 17 Ca 0.66 0.21 0.36 0.00 -0.52 0.00 0.00 52.55 53.26 1p4q s ASP 17 Cb -0.23 -1.82 1.95 0.00 -1.46 0.00 0.00 42.92 41.36 1p4q s ASP 17 CO 0.28 0.31 2.09 1.05 0.52 0.00 0.00 175.17 179.42 1p4q h GLU 18 N 5.67 0.00 0.00 4.34 9.09 -1.98 0.12 114.58 131.82 1p4q h GLU 18 Ca -0.47 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 58.66 1p4q h GLU 18 Cb 1.19 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.24 1p4q h GLU 18 CO 0.61 0.00 -1.66 0.93 0.05 0.00 0.00 179.01 178.94 1p4q h GLU 19 N 0.00 0.00 -0.09 1.06 5.08 -1.99 -3.27 114.58 115.37 1p4q h GLU 19 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1p4q h GLU 19 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1p4q h GLU 19 CO 0.00 0.51 -0.04 0.28 -1.00 0.00 0.00 179.01 178.76 1p4q h VAL 20 N 0.00 1.32 0.26 3.13 2.07 -1.39 0.34 116.25 121.97 1p4q h VAL 20 Ca -0.27 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 1p4q h VAL 20 Cb 1.98 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 33.55 1p4q h VAL 20 CO 0.08 0.29 -0.41 -0.07 0.02 0.00 0.00 177.57 177.47 1p4q h LEU 21 N -0.18 -1.19 -0.17 2.57 3.38 -1.58 0.12 115.31 118.25 1p4q h LEU 21 Ca 0.02 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1p4q h LEU 21 Cb 0.47 0.42 -0.06 0.00 0.09 0.00 0.00 40.66 41.58 1p4q h LEU 21 CO 0.01 -0.50 -0.23 -0.03 0.09 0.00 0.00 178.44 177.78 1p4q h MET 22 N -0.71 -0.27 -0.31 1.13 4.05 -1.61 0.71 114.93 117.91 1p4q h MET 22 Ca -0.03 0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.48 1p4q h MET 22 Cb 0.66 0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 31.45 1p4q h MET 22 CO -0.13 -0.18 -0.18 1.03 0.23 0.00 0.00 176.91 177.68 1p4q h SER 23 N -0.28 -0.59 0.49 1.39 0.87 -0.69 0.15 113.55 114.89 1p4q h SER 23 Ca 0.11 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 1p4q h SER 23 Cb 0.45 0.31 -0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1p4q h SER 23 CO -0.33 -0.21 -0.06 -0.07 -0.53 0.00 0.00 176.83 175.63 1p4q h LEU 24 N -0.14 0.00 -0.37 2.23 3.38 -0.28 0.18 115.31 120.31 1p4q h LEU 24 Ca 0.16 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.96 1p4q h LEU 24 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1p4q h LEU 24 CO -0.40 0.06 -0.81 0.58 0.09 0.00 0.00 178.44 177.96 1p4q h VAL 25 N 0.00 1.58 0.04 1.22 2.07 0.17 -2.43 116.25 118.89 1p4q h VAL 25 Ca -0.00 -2.79 -0.34 0.00 0.82 0.00 0.00 66.70 64.38 1p4q h VAL 25 Cb 0.32 2.51 -0.05 0.00 -1.52 0.00 0.00 31.29 32.55 1p4q h VAL 25 CO 0.01 0.80 -2.05 -0.38 0.02 0.00 0.00 177.57 175.96 1p4q n ILE 26 N -3.56 1.60 -0.13 4.57 -0.00 -0.57 0.17 119.36 121.44 1p4q n ILE 26 Ca -0.01 -0.73 -0.10 0.00 -0.00 0.00 0.00 62.75 61.92 1p4q n ILE 26 Cb 0.78 -1.20 0.04 0.00 -0.00 0.00 0.00 39.64 39.26 1p4q n ILE 26 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.55 176.47 1p4q h GLU 27 N 0.02 0.90 0.15 0.38 4.81 -0.76 -3.29 114.58 116.79 1p4q h GLU 27 Ca -0.43 -0.38 -0.33 0.00 -0.13 0.00 0.00 59.36 58.10 1p4q h GLU 27 Cb 2.05 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.39 1p4q h GLU 27 CO 0.05 1.03 -1.69 1.98 -0.73 0.00 0.00 179.01 179.64 1p4q h MET 28 N 0.78 0.31 0.00 1.92 4.05 -1.62 -3.49 114.93 116.88 1p4q h MET 28 Ca 0.10 -0.53 0.00 0.00 -0.28 0.00 0.00 59.70 58.99 1p4q h MET 28 Cb 0.78 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.78 1p4q h MET 28 CO 0.06 1.25 0.00 0.41 0.23 0.00 0.00 176.91 178.87 1p4q n GLY 29 N 1.85 0.99 0.06 1.39 0.00 -1.12 -5.04 105.19 103.32 1p4q n GLY 29 Ca -0.27 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 0.65 -2.14 0.99 4.77 0.44 -4.09 117.00 117.61 1p4q n LEU 30 Ca 0.00 0.12 -0.26 0.00 -0.03 0.00 0.00 56.01 55.84 1p4q n LEU 30 Cb 0.00 -0.11 0.11 0.00 -2.33 0.00 0.00 43.42 41.09 1p4q n LEU 30 CO 0.00 -0.03 1.30 -0.90 -1.33 0.00 0.00 177.39 176.43 1p4q n ASP 31 N -2.16 5.70 -2.66 -1.43 5.75 -0.70 -4.52 116.55 116.53 1p4q n ASP 31 Ca 0.02 -3.50 -0.04 0.00 -0.01 0.00 0.00 54.79 51.26 1p4q n ASP 31 Cb 0.47 -0.91 0.06 0.00 -1.03 0.00 0.00 41.12 39.71 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 -0.73 0.06 -4.07 0.11 3.00 -1.26 -5.07 116.66 108.70 1p4q n ARG 32 Ca 0.53 -0.61 -0.36 0.00 -0.00 0.00 0.00 57.85 57.41 1p4q n ARG 32 Cb 1.03 0.04 -0.07 0.00 0.00 0.00 0.00 32.46 33.46 1p4q n ARG 32 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1p4q s ILE 33 N 0.38 5.06 -0.25 5.15 -4.36 -1.26 -5.01 121.20 120.90 1p4q s ILE 33 Ca 0.25 0.03 -0.02 0.00 -0.26 0.00 0.00 60.65 60.64 1p4q s ILE 33 Cb 0.18 -3.18 -0.17 0.00 1.25 0.00 0.00 42.46 40.55 1p4q s ILE 33 CO -0.08 0.61 -0.20 0.29 0.24 0.00 0.00 174.94 175.79 1p4q n LYS 34 N 2.02 0.64 -3.80 0.37 5.02 -1.26 -4.92 118.16 116.24 1p4q n LYS 34 Ca -0.19 0.19 -0.26 0.00 -2.02 0.00 0.00 58.31 56.02 1p4q n LYS 34 Cb 0.54 -1.53 -0.17 0.00 -0.02 0.00 0.00 35.03 33.85 1p4q n LYS 34 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1p4q s GLU 35 N -2.52 0.90 -0.35 1.97 8.01 -1.26 -5.11 118.70 120.34 1p4q s GLU 35 Ca -0.35 -0.27 -0.29 0.00 0.01 0.00 0.00 54.97 54.08 1p4q s GLU 35 Cb 0.10 -1.69 0.00 0.00 -4.31 0.00 0.00 34.13 28.24 1p4q s GLU 35 CO 0.59 -0.46 1.38 -1.17 0.01 0.00 0.00 175.26 175.62 1p4q s LEU 36 N 1.83 3.73 0.81 1.80 2.96 -1.26 -5.01 118.68 123.53 1p4q s LEU 36 Ca 0.02 1.05 -0.12 0.00 -0.22 0.00 0.00 54.13 54.86 1p4q s LEU 36 Cb -0.15 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.08 1p4q s LEU 36 CO -0.07 -1.27 1.10 -2.16 -1.32 0.00 0.00 176.35 172.63 1p4q s PRO 37 N 4.60 1.98 0.16 0.98 0.04 -1.26 -5.05 135.00 136.45 1p4q s PRO 37 Ca 0.60 0.60 -0.10 0.00 0.04 0.00 0.00 61.00 62.14 1p4q s PRO 37 Cb -0.16 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 1p4q s PRO 37 CO 0.28 -1.69 0.48 -1.21 0.04 0.00 0.00 177.00 174.91 1p4q s GLU 38 N -5.17 3.79 -0.40 4.56 2.02 -1.26 -5.07 118.70 117.17 1p4q s GLU 38 Ca 0.61 0.23 0.03 0.00 0.02 0.00 0.00 54.97 55.86 1p4q s GLU 38 Cb -0.14 -2.82 0.11 0.00 0.10 0.00 0.00 34.13 31.38 1p4q s GLU 38 CO 0.54 0.43 0.13 -1.17 0.02 0.00 0.00 175.26 175.21 1p4q s LEU 39 N -2.42 4.68 0.08 1.80 1.98 -1.26 -5.09 118.68 118.46 1p4q s LEU 39 Ca 0.41 -2.41 0.04 0.00 -2.89 0.00 0.00 54.13 49.28 1p4q s LEU 39 Cb -0.13 -1.65 -0.03 0.00 0.66 0.00 0.00 46.19 45.04 1p4q s LEU 39 CO 0.21 -0.35 -0.12 0.26 -1.89 0.00 0.00 176.35 174.46 1p4q s TRP 40 N 0.55 1.10 -0.77 5.38 0.23 -1.26 -5.04 118.94 119.12 1p4q s TRP 40 Ca 0.13 -0.53 -0.26 0.00 -2.03 0.00 0.00 56.10 53.41 1p4q s TRP 40 Cb -0.21 -0.61 -0.22 0.00 0.03 0.00 0.00 33.47 32.45 1p4q s TRP 40 CO -0.05 0.03 1.90 1.28 0.96 0.00 0.00 176.95 181.06 1p4q n LEU 41 N 1.05 2.18 0.00 2.99 4.77 -1.26 -4.73 117.00 122.00 1p4q n LEU 41 Ca -0.20 -2.48 0.00 0.00 -0.03 0.00 0.00 56.01 53.31 1p4q n LEU 41 Cb 0.55 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1p4q n LEU 41 CO 0.23 -2.19 0.00 0.61 -1.33 0.00 0.00 177.39 174.72 1p4q n GLY 42 N 5.46 1.07 3.32 -0.72 0.00 -1.26 -4.93 105.19 108.12 1p4q n GLY 42 Ca 0.45 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 1p4q n GLY 42 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1p4q n GLN 43 N -0.04 -2.44 -0.77 1.61 7.27 -1.26 -4.95 117.38 116.80 1p4q n GLN 43 Ca 0.00 -0.70 0.00 0.00 0.07 0.00 0.00 57.00 56.37 1p4q n GLN 43 Cb 0.00 -1.88 0.19 0.00 2.41 0.00 0.00 30.24 30.97 1p4q n GLN 43 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1p4q n ASN 44 N -3.39 2.21 0.00 1.69 0.23 -1.26 -4.59 115.26 110.16 1p4q n ASN 44 Ca 0.03 -3.86 0.11 0.00 -0.53 0.00 0.00 54.58 50.32 1p4q n ASN 44 Cb 0.57 -0.56 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 1p4q n ASN 44 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1p4q n GLU 45 N -1.10 0.03 -1.05 -3.83 4.71 -1.26 -4.25 120.64 113.89 1p4q n GLU 45 Ca 0.26 -0.01 0.04 0.00 -0.01 0.00 0.00 57.16 57.45 1p4q n GLU 45 Cb 0.84 -1.51 0.08 0.00 -1.01 0.00 0.00 31.44 29.84 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 -1.55 0.00 0.27 -0.32 3.01 -1.26 -4.83 117.46 112.78 1p4q n PHE 46 Ca 0.04 -0.75 0.17 0.00 1.01 0.00 0.00 57.45 57.92 1p4q n PHE 46 Cb 0.34 -0.17 0.90 0.00 -0.01 0.00 0.00 39.48 40.55 1p4q n PHE 46 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 1p4q h ASP 47 N 0.83 0.00 0.20 4.37 3.58 -1.84 -0.57 116.42 122.99 1p4q h ASP 47 Ca -0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1p4q h ASP 47 Cb 1.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.59 1p4q h ASP 47 CO 0.05 0.00 0.00 0.49 -2.88 0.00 0.00 179.24 176.90 1p4q n PHE 48 N -2.72 0.00 1.52 0.28 3.01 -1.26 -1.99 117.46 116.30 1p4q n PHE 48 Ca -0.02 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.45 1p4q n PHE 48 Cb 0.13 -0.47 0.05 0.00 -0.01 0.00 0.00 39.48 39.18 1p4q n PHE 48 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1p4q n MET 49 N -1.47 1.29 0.00 -1.08 0.00 -0.22 -2.97 117.12 112.67 1p4q n MET 49 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 57.70 57.33 1p4q n MET 49 Cb 0.07 -1.16 0.00 0.00 0.00 0.00 0.00 33.22 32.12 1p4q n MET 49 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1p4q n THR 50 N -0.15 0.00 -0.49 3.17 -2.24 -0.84 -4.64 114.28 109.09 1p4q n THR 50 Ca 0.04 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.91 1p4q n THR 50 Cb 0.14 -0.02 0.30 0.00 -2.10 0.00 0.00 70.33 68.65 1p4q n THR 50 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1p4q n ASP 51 N -0.28 4.12 0.00 3.42 8.00 -1.26 -5.22 116.55 125.33 1p4q n ASP 51 Ca 0.00 -2.27 0.00 0.00 0.71 0.00 0.00 54.79 53.23 1p4q n ASP 51 Cb 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 1p4q n ASP 51 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30