#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 -0.00 0.00 1.61 4.64 -2.11 -3.51 113.55 114.18 1p4q h SER 2 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1p4q h SER 2 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1p4q h SER 2 CO 0.00 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1p4q n GLY 3 N 1.88 3.07 3.03 -0.77 0.00 -1.26 -5.13 105.19 106.01 1p4q n GLY 3 Ca -0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 46.02 45.44 1p4q n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p4q s SER 4 N 2.00 -1.10 -0.10 1.61 0.01 -1.26 -5.02 113.70 109.85 1p4q s SER 4 Ca 0.00 -1.16 -0.02 0.00 1.31 0.00 0.00 55.95 56.08 1p4q s SER 4 Cb 0.00 1.71 -0.05 0.00 0.21 0.00 0.00 66.02 67.89 1p4q s SER 4 CO 0.00 -0.15 -0.10 0.61 0.41 0.00 0.00 173.24 174.01 1p4q n GLY 5 N 4.02 -0.14 3.59 3.44 0.00 -1.26 -5.05 105.19 109.79 1p4q n GLY 5 Ca 0.13 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.29 1.98 1.10 1.61 0.15 -1.26 -4.68 113.70 107.31 1p4q s SER 6 Ca -0.13 1.70 0.00 0.00 0.70 0.00 0.00 55.95 58.22 1p4q s SER 6 Cb 0.04 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1p4q s SER 6 CO 0.20 -3.61 0.00 0.61 1.20 0.00 0.00 173.24 171.64 1p4q n GLY 7 N 0.26 1.08 3.06 9.45 0.00 -1.26 -4.93 105.19 112.86 1p4q n GLY 7 Ca 0.06 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 1p4q n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1p4q n SER 8 N 6.02 -5.79 0.00 1.61 2.88 -1.26 -4.86 113.62 112.22 1p4q n SER 8 Ca 0.00 -0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.20 1p4q n SER 8 Cb 0.00 -4.55 0.00 0.00 -0.75 0.00 0.00 64.21 58.91 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 -2.26 0.00 0.00 -3.46 3.02 -1.26 -5.13 115.26 106.17 1p4q n ASN 9 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1p4q n ASN 9 Cb 0.59 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 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 -0.82 2.41 3.14 -1.26 -5.02 118.33 116.78 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 -2.01 1.55 3.06 -1.26 -5.02 119.36 115.68 1p4q n ILE 11 Ca 0.00 0.00 -0.24 0.00 -2.50 0.00 0.00 62.75 60.01 1p4q n ILE 11 Cb 0.00 -1.70 0.02 0.00 0.54 0.00 0.00 39.64 38.50 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 -0.67 4.97 0.00 9.51 9.92 -1.26 -4.75 116.55 134.27 1p4q n ASP 12 Ca 0.00 -3.75 0.11 0.00 -0.53 0.00 0.00 54.79 50.62 1p4q n ASP 12 Cb 0.00 -0.35 0.63 0.00 -0.64 0.00 0.00 41.12 40.76 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 -0.71 0.04 0.30 -3.53 -2.24 -1.26 -3.59 114.28 103.28 1p4q n THR 13 Ca 0.44 0.01 0.18 0.00 -2.27 0.00 0.00 64.05 62.41 1p4q n THR 13 Cb 0.96 -0.67 0.91 0.00 -2.10 0.00 0.00 70.33 69.44 1p4q n THR 13 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1p4q h ASP 14 N 0.00 0.00 0.00 3.42 1.82 -2.03 -1.80 116.42 117.83 1p4q h ASP 14 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1p4q h ASP 14 Cb 0.02 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.03 1p4q h ASP 14 CO 0.00 0.00 -0.81 2.22 -1.61 0.00 0.00 179.24 179.04 1p4q n PHE 15 N -3.12 0.00 -2.36 0.28 1.16 -1.24 -5.04 117.46 107.14 1p4q n PHE 15 Ca -0.01 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.20 1p4q n PHE 15 Cb 0.32 -0.02 -0.02 0.00 -1.61 0.00 0.00 39.48 38.15 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 -1.84 3.33 -0.17 1.97 2.07 -0.68 -5.03 121.20 120.86 1p4q s ILE 16 Ca -0.00 1.01 -0.07 0.00 -1.41 0.00 0.00 60.65 60.18 1p4q s ILE 16 Cb 0.01 -3.51 -0.04 0.00 0.13 0.00 0.00 42.46 39.04 1p4q s ILE 16 CO 0.04 -0.01 0.06 -0.62 -1.91 0.00 0.00 174.94 172.51 1p4q s ASP 17 N -1.43 5.65 0.39 4.50 2.15 -1.26 -4.94 116.67 121.73 1p4q s ASP 17 Ca 0.61 0.11 0.27 0.00 0.43 0.00 0.00 52.55 53.97 1p4q s ASP 17 Cb -0.26 -1.94 1.40 0.00 -0.30 0.00 0.00 42.92 41.82 1p4q s ASP 17 CO 0.32 0.20 1.83 -0.08 -0.17 0.00 0.00 175.17 177.26 1p4q h GLU 18 N 6.51 0.00 0.02 4.34 4.22 -1.95 -1.17 114.58 126.54 1p4q h GLU 18 Ca -0.39 0.00 -0.29 0.00 0.08 0.00 0.00 59.36 58.76 1p4q h GLU 18 Cb 1.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 1p4q h GLU 18 CO 0.69 0.00 -1.67 1.49 -2.18 0.00 0.00 179.01 177.34 1p4q h GLU 19 N 0.00 0.04 0.64 1.92 4.81 -1.99 -3.22 114.58 116.77 1p4q h GLU 19 Ca 0.00 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1p4q h GLU 19 Cb 0.08 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.49 1p4q h GLU 19 CO 0.00 0.63 -0.31 0.28 -0.73 0.00 0.00 179.01 178.88 1p4q h VAL 20 N 0.01 0.10 -0.03 0.32 2.07 -1.63 -2.81 116.25 114.28 1p4q h VAL 20 Ca -0.28 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 66.90 1p4q h VAL 20 Cb 2.00 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1p4q h VAL 20 CO 0.09 0.02 0.04 0.17 0.02 0.00 0.00 177.57 177.90 1p4q h LEU 21 N -1.17 0.00 0.09 2.57 8.10 -1.69 -1.99 115.31 121.22 1p4q h LEU 21 Ca -0.09 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.90 1p4q h LEU 21 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.90 1p4q h LEU 21 CO 0.14 0.00 -0.04 -0.03 -4.11 0.00 0.00 178.44 174.40 1p4q h MET 22 N 0.00 -0.12 -0.71 0.17 4.05 -1.54 -1.02 114.93 115.77 1p4q h MET 22 Ca 0.02 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.46 1p4q h MET 22 Cb 0.09 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.87 1p4q h MET 22 CO -0.00 -0.05 0.46 1.03 0.23 0.00 0.00 176.91 178.58 1p4q h SER 23 N -0.16 0.77 0.07 1.39 0.87 -1.11 -1.23 113.55 114.15 1p4q h SER 23 Ca -0.01 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1p4q h SER 23 Cb 0.13 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1p4q h SER 23 CO 0.02 0.55 -0.07 -0.07 -0.53 0.00 0.00 176.83 176.73 1p4q h LEU 24 N 0.91 0.00 -0.39 2.23 3.38 -1.23 0.42 115.31 120.62 1p4q h LEU 24 Ca 0.27 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.09 1p4q h LEU 24 Cb -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1p4q h LEU 24 CO -0.08 0.07 -0.35 0.58 0.09 0.00 0.00 178.44 178.75 1p4q h VAL 25 N 0.00 1.27 0.14 1.22 2.07 0.02 -1.39 116.25 119.58 1p4q h VAL 25 Ca -0.00 -1.52 -0.29 0.00 0.82 0.00 0.00 66.70 65.71 1p4q h VAL 25 Cb 0.12 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1p4q h VAL 25 CO 0.01 0.51 -1.34 0.40 0.02 0.00 0.00 177.57 177.16 1p4q h ILE 26 N 0.75 1.38 -0.50 4.57 5.03 -0.95 1.17 117.51 128.97 1p4q h ILE 26 Ca 0.07 -2.96 -0.09 0.00 -0.12 0.00 0.00 64.86 61.76 1p4q h ILE 26 Cb 0.94 2.90 -0.02 0.00 -3.03 0.00 0.00 36.82 37.61 1p4q h ILE 26 CO 0.09 0.87 -0.03 -0.33 -0.68 0.00 0.00 178.15 178.06 1p4q h GLU 27 N 0.08 0.91 0.22 2.37 4.39 -0.20 -3.25 114.58 119.10 1p4q h GLU 27 Ca -0.17 -0.31 -0.32 0.00 0.34 0.00 0.00 59.36 58.90 1p4q h GLU 27 Cb 2.00 -0.07 0.03 0.00 -0.10 0.00 0.00 28.75 30.61 1p4q h GLU 27 CO 0.20 0.96 -1.46 1.98 -1.16 0.00 0.00 179.01 179.52 1p4q h MET 28 N 0.77 0.46 0.00 2.33 4.05 -1.37 -3.49 114.93 117.69 1p4q h MET 28 Ca 0.14 -0.79 0.00 0.00 -0.28 0.00 0.00 59.70 58.76 1p4q h MET 28 Cb 0.57 0.30 0.00 0.00 -0.80 0.00 0.00 31.60 31.66 1p4q h MET 28 CO 0.03 1.38 0.00 0.41 0.23 0.00 0.00 176.91 178.96 1p4q n GLY 29 N 1.75 1.08 0.78 1.39 0.00 -0.79 -5.02 105.19 104.38 1p4q n GLY 29 Ca -0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.88 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 2.25 -0.94 0.99 4.77 0.40 -3.88 117.00 120.58 1p4q n LEU 30 Ca 0.00 -1.13 0.02 0.00 -0.03 0.00 0.00 56.01 54.87 1p4q n LEU 30 Cb 0.00 -0.32 0.16 0.00 -2.33 0.00 0.00 43.42 40.93 1p4q n LEU 30 CO 0.00 0.48 0.29 -0.90 -1.33 0.00 0.00 177.39 175.93 1p4q n ASP 31 N 0.52 2.05 -2.66 -1.43 5.75 -1.24 -4.76 116.55 114.79 1p4q n ASP 31 Ca 0.13 -3.63 -0.03 0.00 -0.01 0.00 0.00 54.79 51.25 1p4q n ASP 31 Cb 0.39 -0.48 0.03 0.00 -1.03 0.00 0.00 41.12 40.03 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 -0.87 0.15 -3.51 0.11 0.63 -1.25 -5.12 116.66 106.80 1p4q n ARG 32 Ca 0.21 -0.68 -0.37 0.00 -0.92 0.00 0.00 57.85 56.08 1p4q n ARG 32 Cb 0.78 -0.05 -0.08 0.00 0.45 0.00 0.00 32.46 33.56 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 0.03 5.28 -0.09 5.15 1.01 -1.26 -4.99 121.20 126.33 1p4q s ILE 33 Ca 0.09 0.49 -0.21 0.00 0.00 0.00 0.00 60.65 61.02 1p4q s ILE 33 Cb 0.14 -3.63 -0.17 0.00 0.01 0.00 0.00 42.46 38.81 1p4q s ILE 33 CO -0.08 0.31 0.74 0.50 0.00 0.00 0.00 174.94 176.42 1p4q h LYS 34 N 7.27 -0.09 -5.18 2.79 3.64 -2.01 -3.44 116.57 119.56 1p4q h LYS 34 Ca -0.38 0.01 -0.67 0.00 -1.27 0.00 0.00 60.65 58.34 1p4q h LYS 34 Cb 1.16 0.02 -0.34 0.00 -0.41 0.00 0.00 32.23 32.66 1p4q h LYS 34 CO 0.71 0.48 -0.87 -2.00 -2.27 0.00 0.00 179.45 175.50 1p4q s GLU 35 N -2.80 2.98 -0.56 1.90 -6.30 -1.26 -5.09 118.70 107.56 1p4q s GLU 35 Ca -0.13 -0.84 -0.24 0.00 -2.50 0.00 0.00 54.97 51.26 1p4q s GLU 35 Cb -0.01 -2.41 0.05 0.00 0.00 0.00 0.00 34.13 31.76 1p4q s GLU 35 CO 0.50 -0.02 0.93 -1.17 0.02 0.00 0.00 175.26 175.52 1p4q s LEU 36 N 0.82 4.18 1.08 2.70 2.96 -1.26 -5.04 118.68 124.12 1p4q s LEU 36 Ca -0.07 -0.45 -0.12 0.00 -0.22 0.00 0.00 54.13 53.26 1p4q s LEU 36 Cb -0.15 -2.76 0.22 0.00 0.50 0.00 0.00 46.19 43.99 1p4q s LEU 36 CO -0.02 -1.23 0.96 -0.81 -1.32 0.00 0.00 176.35 173.92 1p4q n PRO 37 N 7.42 -1.63 -3.16 0.98 -0.04 -1.26 -4.99 135.00 132.32 1p4q n PRO 37 Ca 0.01 -0.43 -0.34 0.00 -0.04 0.00 0.00 63.50 62.69 1p4q n PRO 37 Cb 0.47 -2.19 -0.06 0.00 -0.04 0.00 0.00 33.50 31.68 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 -4.37 4.10 -0.36 0.54 0.41 -1.26 -5.06 118.70 112.70 1p4q s GLU 38 Ca 0.67 0.72 0.04 0.00 -0.41 0.00 0.00 54.97 55.98 1p4q s GLU 38 Cb -0.24 -2.71 0.10 0.00 -1.78 0.00 0.00 34.13 29.51 1p4q s GLU 38 CO 0.63 0.31 0.08 -1.17 -0.49 0.00 0.00 175.26 174.62 1p4q s LEU 39 N -2.39 4.73 0.18 1.80 1.98 -1.26 -5.09 118.68 118.63 1p4q s LEU 39 Ca 0.47 -2.26 0.04 0.00 -2.89 0.00 0.00 54.13 49.49 1p4q s LEU 39 Cb -0.14 -1.64 -0.05 0.00 0.66 0.00 0.00 46.19 45.03 1p4q s LEU 39 CO 0.19 -0.37 -0.06 0.26 -1.89 0.00 0.00 176.35 174.48 1p4q s TRP 40 N 0.76 1.39 -1.14 5.38 0.23 -1.26 -5.04 118.94 119.26 1p4q s TRP 40 Ca 0.12 -0.82 -0.09 0.00 -2.03 0.00 0.00 56.10 53.27 1p4q s TRP 40 Cb -0.20 -0.75 -0.07 0.00 0.03 0.00 0.00 33.47 32.48 1p4q s TRP 40 CO -0.07 0.04 2.34 1.28 0.96 0.00 0.00 176.95 181.50 1p4q n LEU 41 N -0.29 6.06 0.00 2.99 4.77 -1.26 -4.71 117.00 124.57 1p4q n LEU 41 Ca -0.08 -3.40 0.00 0.00 -0.03 0.00 0.00 56.01 52.50 1p4q n LEU 41 Cb 0.62 -1.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 1p4q n LEU 41 CO 0.34 0.95 0.09 0.61 -1.33 0.00 0.00 177.39 178.05 1p4q n GLY 42 N 3.83 -1.22 3.34 -0.72 0.00 -1.26 -4.87 105.19 104.30 1p4q n GLY 42 Ca 0.55 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.27 -2.04 0.00 1.61 6.02 -1.26 -4.96 117.38 116.48 1p4q n GLN 43 Ca 0.00 -0.58 0.06 0.00 -0.01 0.00 0.00 57.00 56.47 1p4q n GLN 43 Cb 0.00 -1.87 0.00 0.00 1.02 0.00 0.00 30.24 29.39 1p4q n GLN 43 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1p4q n ASN 44 N -2.99 1.33 0.08 1.08 4.13 -1.26 -4.48 115.26 113.15 1p4q n ASN 44 Ca 0.01 -1.17 0.09 0.00 1.68 0.00 0.00 54.58 55.20 1p4q n ASN 44 Cb 0.59 0.44 0.39 0.00 -1.54 0.00 0.00 39.78 39.67 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 -0.17 0.10 -0.70 3.52 -0.58 -1.26 -2.22 120.64 119.33 1p4q n GLU 45 Ca 0.05 0.40 0.05 0.00 -0.42 0.00 0.00 57.16 57.23 1p4q n GLU 45 Cb 0.24 -1.72 0.09 0.00 -0.57 0.00 0.00 31.44 29.48 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 -1.92 0.00 0.10 -0.32 3.72 -1.26 -4.81 117.46 112.98 1p4q n PHE 46 Ca 0.02 -0.74 0.07 0.00 -0.05 0.00 0.00 57.45 56.75 1p4q n PHE 46 Cb 0.17 -0.15 0.37 0.00 -0.94 0.00 0.00 39.48 38.92 1p4q n PHE 46 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1p4q n ASP 47 N -0.47 0.35 0.00 4.37 5.75 -0.94 -2.01 116.55 123.59 1p4q n ASP 47 Ca 0.10 0.65 0.02 0.00 -0.01 0.00 0.00 54.79 55.56 1p4q n ASP 47 Cb 0.81 -0.70 0.11 0.00 -1.03 0.00 0.00 41.12 40.31 1p4q n ASP 47 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1p4q n PHE 48 N -1.97 0.00 1.82 2.11 3.01 -1.26 -2.03 117.46 119.14 1p4q n PHE 48 Ca -0.01 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.50 1p4q n PHE 48 Cb 0.04 -0.39 0.29 0.00 -0.01 0.00 0.00 39.48 39.41 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 -1.39 0.91 0.00 -1.08 2.81 -0.85 -4.48 117.12 113.03 1p4q n MET 49 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1p4q n MET 49 Cb 0.05 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 1p4q n MET 49 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1p4q n THR 50 N -0.67 0.00 -1.04 2.03 5.66 -0.86 -5.01 114.28 114.39 1p4q n THR 50 Ca 0.07 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.06 1p4q n THR 50 Cb 0.03 -0.09 -0.01 0.00 -1.55 0.00 0.00 70.33 68.72 1p4q n THR 50 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1p4q n ASP 51 N -0.98 -4.85 -0.33 1.09 2.03 -1.24 -5.20 116.55 107.08 1p4q n ASP 51 Ca 0.00 0.04 0.04 0.00 0.52 0.00 0.00 54.79 55.39 1p4q n ASP 51 Cb 0.00 -2.48 0.03 0.00 -0.72 0.00 0.00 41.12 37.96 1p4q n ASP 51 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61