#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 -5.81 0.00 1.61 7.64 -1.26 -4.93 113.62 110.87 1p4q n SER 2 Ca 0.00 -0.36 0.00 0.00 1.01 0.00 0.00 58.87 59.52 1p4q n SER 2 Cb 0.00 -4.54 0.00 0.00 -1.01 0.00 0.00 64.21 58.66 1p4q n SER 2 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p4q n GLY 3 N -1.64 -0.05 2.74 0.23 0.00 -1.26 -5.10 105.19 100.11 1p4q n GLY 3 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.15 -7.76 -2.44 1.61 7.64 -1.26 -5.03 113.62 104.22 1p4q n SER 4 Ca 0.00 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1p4q n SER 4 Cb 0.00 -5.20 0.00 0.00 -1.01 0.00 0.00 64.21 58.00 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 0.13 -1.29 3.81 0.23 0.00 -1.26 -5.11 105.19 101.70 1p4q n GLY 5 Ca 0.06 -1.18 -0.07 0.00 0.00 0.00 0.00 46.02 44.84 1p4q n GLY 5 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p4q s SER 6 N -1.53 -0.27 0.46 1.61 0.15 -1.26 -5.03 113.70 107.83 1p4q s SER 6 Ca 0.00 -0.53 0.12 0.00 0.70 0.00 0.00 55.95 56.24 1p4q s SER 6 Cb 0.00 0.68 1.05 0.00 -1.71 0.00 0.00 66.02 66.05 1p4q s SER 6 CO 0.00 -1.25 2.08 1.23 1.20 0.00 0.00 173.24 176.50 1p4q h GLY 7 N 2.00 0.23 -5.15 9.45 0.00 -2.06 -3.47 103.07 104.07 1p4q h GLY 7 Ca -0.21 -0.09 -0.16 0.00 0.00 0.00 0.00 47.33 46.87 1p4q h GLY 7 CO 0.24 0.09 -0.55 -1.26 0.00 0.00 0.00 176.54 175.07 1p4q n SER 8 N -4.47 -6.42 0.00 0.19 2.88 -1.26 -4.95 113.62 99.59 1p4q n SER 8 Ca -0.01 -0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.07 1p4q n SER 8 Cb 0.11 -4.72 0.00 0.00 -0.75 0.00 0.00 64.21 58.85 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 -2.65 0.00 0.00 -3.46 3.02 -1.26 -5.13 115.26 105.78 1p4q n ASN 9 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1p4q n ASN 9 Cb 0.58 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 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 0.00 0.00 -1.33 2.41 3.14 -1.26 -5.03 118.33 116.27 1p4q n VAL 10 Ca 0.00 0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 1p4q n VAL 10 Cb 0.00 -0.07 0.00 0.00 -1.06 0.00 0.00 33.84 32.71 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 -5.04 119.36 115.45 1p4q n ILE 11 Ca 0.00 0.00 -0.19 0.00 -2.50 0.00 0.00 62.75 60.06 1p4q n ILE 11 Cb 0.00 -1.40 0.03 0.00 0.54 0.00 0.00 39.64 38.81 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 -0.37 4.16 -1.71 9.51 9.92 -1.26 -4.83 116.55 131.97 1p4q n ASP 12 Ca 0.00 -3.37 -0.13 0.00 -0.53 0.00 0.00 54.79 50.76 1p4q n ASP 12 Cb 0.00 -0.38 0.06 0.00 -0.64 0.00 0.00 41.12 40.16 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 -0.67 2.35 1.03 -3.53 -2.24 -1.26 -4.06 114.28 105.90 1p4q n THR 13 Ca 0.35 -1.22 0.11 0.00 -2.27 0.00 0.00 64.05 61.03 1p4q n THR 13 Cb 0.92 -1.02 0.08 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.03 0.93 0.00 3.42 2.03 -1.26 -4.16 116.55 117.53 1p4q n ASP 14 Ca 0.28 -0.76 0.00 0.00 0.52 0.00 0.00 54.79 54.83 1p4q n ASP 14 Cb 0.83 0.57 0.00 0.00 -0.72 0.00 0.00 41.12 41.81 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 -1.25 0.00 -2.37 -0.67 1.16 -1.26 -5.07 117.46 108.01 1p4q n PHE 15 Ca 0.06 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.29 1p4q n PHE 15 Cb 0.35 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.21 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 -0.13 3.39 -0.15 1.97 2.07 -1.26 -5.03 121.20 122.06 1p4q s ILE 16 Ca 0.00 0.89 -0.06 0.00 -1.41 0.00 0.00 60.65 60.07 1p4q s ILE 16 Cb 0.00 -3.38 -0.04 0.00 0.13 0.00 0.00 42.46 39.17 1p4q s ILE 16 CO 0.00 -0.16 0.06 -0.62 -1.91 0.00 0.00 174.94 172.32 1p4q s ASP 17 N -1.78 5.70 0.63 4.50 -1.08 -1.26 -4.97 116.67 118.40 1p4q s ASP 17 Ca 0.69 0.17 0.31 0.00 -0.52 0.00 0.00 52.55 53.20 1p4q s ASP 17 Cb -0.22 -1.88 1.68 0.00 -1.46 0.00 0.00 42.92 41.04 1p4q s ASP 17 CO 0.26 0.26 2.00 1.05 0.52 0.00 0.00 175.17 179.26 1p4q h GLU 18 N 6.05 0.00 0.00 4.34 4.11 -2.01 0.30 114.58 127.37 1p4q h GLU 18 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1p4q h GLU 18 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1p4q h GLU 18 CO 0.65 0.00 -1.24 0.39 0.07 0.00 0.00 179.01 178.88 1p4q n GLU 19 N -3.32 0.61 -0.03 1.06 1.02 -1.26 -3.77 120.64 114.95 1p4q n GLU 19 Ca 0.01 0.04 -0.15 0.00 -0.02 0.00 0.00 57.16 57.05 1p4q n GLU 19 Cb 0.40 -1.75 -0.10 0.00 -0.02 0.00 0.00 31.44 29.97 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 0.00 1.47 0.16 2.62 2.07 -0.83 -2.43 116.25 119.31 1p4q h VAL 20 Ca 0.00 -1.74 -0.00 0.00 0.82 0.00 0.00 66.70 65.78 1p4q h VAL 20 Cb 0.99 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 1p4q h VAL 20 CO 0.00 0.49 -0.21 -0.07 0.02 0.00 0.00 177.57 177.80 1p4q h LEU 21 N -0.32 -0.60 -0.76 2.57 3.38 -1.57 -1.46 115.31 116.56 1p4q h LEU 21 Ca -0.02 0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.18 1p4q h LEU 21 Cb 0.92 0.20 -0.13 0.00 0.09 0.00 0.00 40.66 41.74 1p4q h LEU 21 CO 0.05 -0.26 -0.00 -0.03 0.09 0.00 0.00 178.44 178.29 1p4q h MET 22 N -0.38 0.09 -0.86 1.13 4.05 -1.69 0.37 114.93 117.64 1p4q h MET 22 Ca -0.02 -0.01 0.11 0.00 -0.28 0.00 0.00 59.70 59.51 1p4q h MET 22 Cb 0.34 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.06 1p4q h MET 22 CO -0.05 0.06 0.56 1.03 0.23 0.00 0.00 176.91 178.74 1p4q h SER 23 N 0.09 0.71 0.89 1.39 0.87 -1.12 0.28 113.55 116.67 1p4q h SER 23 Ca 0.41 0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.88 1p4q h SER 23 Cb 0.72 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1p4q h SER 23 CO -0.68 0.40 -0.58 -0.07 -0.53 0.00 0.00 176.83 175.38 1p4q h LEU 24 N 0.78 0.00 -1.02 2.23 3.38 0.76 -0.40 115.31 121.04 1p4q h LEU 24 Ca 0.41 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.28 1p4q h LEU 24 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1p4q h LEU 24 CO -0.18 0.58 -0.45 0.58 0.09 0.00 0.00 178.44 179.07 1p4q h VAL 25 N 0.00 1.32 0.09 1.22 2.07 0.45 -2.78 116.25 118.62 1p4q h VAL 25 Ca -0.01 -1.57 -0.36 0.00 0.82 0.00 0.00 66.70 65.59 1p4q h VAL 25 Cb 1.18 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 1p4q h VAL 25 CO 0.08 0.46 -2.02 -0.38 0.02 0.00 0.00 177.57 175.73 1p4q n ILE 26 N -4.00 1.72 -0.11 4.57 -0.00 -0.86 0.13 119.36 120.81 1p4q n ILE 26 Ca -0.02 -0.67 -0.05 0.00 -0.00 0.00 0.00 62.75 62.01 1p4q n ILE 26 Cb 0.48 -1.58 0.02 0.00 -0.00 0.00 0.00 39.64 38.57 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 0.05 0.18 0.13 0.38 4.22 -1.07 -2.97 114.58 115.51 1p4q h GLU 27 Ca -0.42 -0.01 -0.31 0.00 0.08 0.00 0.00 59.36 58.69 1p4q h GLU 27 Cb 2.02 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.23 1p4q h GLU 27 CO 0.07 0.12 -1.55 1.98 -2.18 0.00 0.00 179.01 177.45 1p4q h MET 28 N 0.19 0.28 0.00 1.92 4.05 -1.69 -3.48 114.93 116.20 1p4q h MET 28 Ca 0.18 -0.48 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 1p4q h MET 28 Cb 0.22 0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.20 1p4q h MET 28 CO -0.25 1.15 0.00 0.41 0.23 0.00 0.00 176.91 178.46 1p4q n GLY 29 N 1.69 1.81 0.28 1.39 0.00 -1.10 -5.01 105.19 104.25 1p4q n GLY 29 Ca -0.17 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.02 1p4q n GLY 29 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1p4q h LEU 30 N 0.00 0.00 -3.78 0.99 3.38 0.89 -2.89 115.31 113.90 1p4q h LEU 30 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1p4q h LEU 30 Cb 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.49 1p4q h LEU 30 CO 0.00 0.03 0.66 -0.67 0.09 0.00 0.00 178.44 178.55 1p4q n ASP 31 N -3.16 5.53 -2.57 -0.43 -0.08 -1.02 -4.28 116.55 110.54 1p4q n ASP 31 Ca -0.00 -3.48 -0.04 0.00 -1.51 0.00 0.00 54.79 49.76 1p4q n ASP 31 Cb 0.28 -0.90 0.00 0.00 2.34 0.00 0.00 41.12 42.84 1p4q n ASP 31 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1p4q n ARG 32 N -0.73 0.30 -3.80 -0.67 1.74 -1.09 -5.10 116.66 107.32 1p4q n ARG 32 Ca 0.52 -0.77 -0.36 0.00 -0.77 0.00 0.00 57.85 56.47 1p4q n ARG 32 Cb 1.07 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 32.41 1p4q n ARG 32 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1p4q s ILE 33 N 0.05 5.04 -0.03 0.55 1.01 -1.25 -5.02 121.20 121.55 1p4q s ILE 33 Ca 0.05 0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 1p4q s ILE 33 Cb 0.10 -3.32 -0.00 0.00 0.01 0.00 0.00 42.46 39.25 1p4q s ILE 33 CO -0.02 0.39 0.05 0.50 0.00 0.00 0.00 174.94 175.86 1p4q h LYS 34 N 7.26 -0.02 -4.88 2.79 3.64 -1.98 -3.44 116.57 119.94 1p4q h LYS 34 Ca -0.38 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.35 1p4q h LYS 34 Cb 1.17 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.79 1p4q h LYS 34 CO 0.67 -0.01 -0.56 -1.21 -2.27 0.00 0.00 179.45 176.07 1p4q s GLU 35 N -1.30 3.67 -0.56 1.90 0.41 -1.26 -5.06 118.70 116.51 1p4q s GLU 35 Ca -0.00 -0.49 -0.23 0.00 -0.41 0.00 0.00 54.97 53.84 1p4q s GLU 35 Cb 0.00 -3.54 0.05 0.00 -1.78 0.00 0.00 34.13 28.86 1p4q s GLU 35 CO 0.01 -0.26 0.90 -1.17 -0.49 0.00 0.00 175.26 174.25 1p4q s LEU 36 N 1.67 4.28 1.07 1.80 2.96 -1.26 -5.04 118.68 124.16 1p4q s LEU 36 Ca 0.06 -0.54 -0.12 0.00 -0.22 0.00 0.00 54.13 53.31 1p4q s LEU 36 Cb -0.16 -2.70 0.20 0.00 0.50 0.00 0.00 46.19 44.03 1p4q s LEU 36 CO 0.07 -1.21 0.90 -0.81 -1.32 0.00 0.00 176.35 173.98 1p4q n PRO 37 N 7.31 -1.53 -3.36 0.98 -0.04 -1.26 -5.01 135.00 132.09 1p4q n PRO 37 Ca -0.00 -0.41 -0.31 0.00 -0.04 0.00 0.00 63.50 62.74 1p4q n PRO 37 Cb 0.47 -2.16 -0.04 0.00 -0.04 0.00 0.00 33.50 31.72 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 -4.31 3.73 -0.37 0.54 0.41 -1.26 -5.07 118.70 112.37 1p4q s GLU 38 Ca 0.66 0.18 0.03 0.00 -0.41 0.00 0.00 54.97 55.43 1p4q s GLU 38 Cb -0.23 -2.63 0.11 0.00 -1.78 0.00 0.00 34.13 29.59 1p4q s GLU 38 CO 0.63 0.26 0.09 -1.17 -0.49 0.00 0.00 175.26 174.58 1p4q s LEU 39 N -3.15 4.76 0.18 1.80 1.98 -1.26 -5.09 118.68 117.90 1p4q s LEU 39 Ca 0.46 -2.26 0.04 0.00 -2.89 0.00 0.00 54.13 49.48 1p4q s LEU 39 Cb -0.11 -1.65 -0.05 0.00 0.66 0.00 0.00 46.19 45.04 1p4q s LEU 39 CO 0.25 -0.37 -0.06 0.26 -1.89 0.00 0.00 176.35 174.54 1p4q s TRP 40 N 0.76 1.34 -0.83 5.38 0.23 -1.26 -5.03 118.94 119.53 1p4q s TRP 40 Ca 0.12 -0.84 -0.09 0.00 -2.03 0.00 0.00 56.10 53.25 1p4q s TRP 40 Cb -0.20 -0.73 -0.07 0.00 0.03 0.00 0.00 33.47 32.50 1p4q s TRP 40 CO -0.07 0.01 2.01 1.28 0.96 0.00 0.00 176.95 181.14 1p4q n LEU 41 N -0.27 4.49 0.00 2.99 4.32 -1.26 -4.66 117.00 122.60 1p4q n LEU 41 Ca -0.08 -2.80 0.00 0.00 -0.02 0.00 0.00 56.01 53.11 1p4q n LEU 41 Cb 0.62 -1.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.35 1p4q n LEU 41 CO 0.34 0.29 0.06 0.61 -1.22 0.00 0.00 177.39 177.46 1p4q n GLY 42 N 3.96 -0.27 3.48 -0.72 0.00 -1.26 -4.88 105.19 105.50 1p4q n GLY 42 Ca 0.44 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.26 -1.48 -0.80 1.61 7.27 -1.26 -4.95 117.38 117.51 1p4q n GLN 43 Ca 0.00 -0.39 -0.03 0.00 0.07 0.00 0.00 57.00 56.65 1p4q n GLN 43 Cb 0.00 -2.10 0.20 0.00 2.41 0.00 0.00 30.24 30.75 1p4q n GLN 43 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1p4q n ASN 44 N -3.68 2.37 -0.46 1.69 4.13 -1.26 -4.54 115.26 113.51 1p4q n ASN 44 Ca 0.06 -3.83 0.11 0.00 1.68 0.00 0.00 54.58 52.60 1p4q n ASN 44 Cb 0.55 -0.61 -0.01 0.00 -1.54 0.00 0.00 39.78 38.16 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 -1.12 1.12 -0.93 3.52 -0.58 -1.26 -4.30 120.64 117.10 1p4q n GLU 45 Ca 0.31 -0.92 0.04 0.00 -0.42 0.00 0.00 57.16 56.17 1p4q n GLU 45 Cb 0.96 -1.48 0.07 0.00 -0.57 0.00 0.00 31.44 30.42 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 -0.14 0.00 0.01 -0.32 3.01 -1.26 -4.84 117.46 113.93 1p4q n PHE 46 Ca 0.09 -0.67 0.01 0.00 1.01 0.00 0.00 57.45 57.89 1p4q n PHE 46 Cb 0.46 -0.15 0.05 0.00 -0.01 0.00 0.00 39.48 39.83 1p4q n PHE 46 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1p4q n ASP 47 N -0.18 0.05 0.00 4.37 -0.08 -1.26 -1.99 116.55 117.46 1p4q n ASP 47 Ca 0.09 0.49 0.03 0.00 -1.51 0.00 0.00 54.79 53.89 1p4q n ASP 47 Cb 0.90 -0.50 0.14 0.00 2.34 0.00 0.00 41.12 44.00 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 -1.54 0.00 0.79 -0.67 3.72 -1.26 -2.32 117.46 116.18 1p4q n PHE 48 Ca -0.00 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.47 1p4q n PHE 48 Cb 0.03 -0.39 0.40 0.00 -0.94 0.00 0.00 39.48 38.59 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 -1.39 0.30 0.00 -1.08 2.81 -0.84 -0.98 117.12 115.94 1p4q n MET 49 Ca 0.02 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 1p4q n MET 49 Cb 0.06 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 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 -1.19 0.00 -0.15 2.03 -2.24 -0.98 -4.50 114.28 107.25 1p4q n THR 50 Ca 0.09 0.12 0.09 0.00 -2.27 0.00 0.00 64.05 62.08 1p4q n THR 50 Cb 0.10 -0.27 0.29 0.00 -2.10 0.00 0.00 70.33 68.35 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 -0.33 3.77 0.00 3.42 9.92 -1.26 -5.24 116.55 126.84 1p4q n ASP 51 Ca 0.00 -2.19 0.00 0.00 -0.53 0.00 0.00 54.79 52.07 1p4q n ASP 51 Cb 0.00 -0.48 0.00 0.00 -0.64 0.00 0.00 41.12 40.00 1p4q n ASP 51 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82