#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 -4.09 -0.01 1.61 7.64 -1.26 -4.98 113.62 112.54 1p4q n SER 2 Ca 0.00 -0.62 -0.02 0.00 1.01 0.00 0.00 58.87 59.24 1p4q n SER 2 Cb 0.00 -4.86 -0.01 0.00 -1.01 0.00 0.00 64.21 58.33 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 -1.18 -0.20 2.61 0.23 0.00 -1.26 -5.11 105.19 100.27 1p4q n GLY 3 Ca -0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.36 -5.17 -1.57 1.61 7.64 -1.26 -5.05 113.62 106.46 1p4q n SER 4 Ca -0.04 1.33 0.00 0.00 1.01 0.00 0.00 58.87 61.18 1p4q n SER 4 Cb 0.13 -5.08 0.00 0.00 -1.01 0.00 0.00 64.21 58.25 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 0.99 0.97 3.62 0.23 0.00 -1.26 -5.13 105.19 104.61 1p4q n GLY 5 Ca -0.14 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.00 -0.34 -0.01 1.61 0.01 -1.26 -4.99 113.70 107.71 1p4q s SER 6 Ca 0.00 0.54 -0.00 0.00 1.31 0.00 0.00 55.95 57.80 1p4q s SER 6 Cb 0.00 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.74 1p4q s SER 6 CO 0.00 -0.20 0.01 0.61 0.41 0.00 0.00 173.24 174.07 1p4q n GLY 7 N 1.45 0.71 2.46 3.44 0.00 -1.26 -4.96 105.19 107.04 1p4q n GLY 7 Ca -0.10 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 1p4q n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1p4q n SER 8 N 1.66 6.88 -2.62 1.61 7.64 -1.26 -4.79 113.62 122.74 1p4q n SER 8 Ca -0.00 -3.15 -0.04 0.00 1.01 0.00 0.00 58.87 56.69 1p4q n SER 8 Cb 0.50 -1.28 0.01 0.00 -1.01 0.00 0.00 64.21 62.43 1p4q n SER 8 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1p4q n ASN 9 N 1.21 -7.21 0.00 6.43 5.15 -1.26 -5.03 115.26 114.55 1p4q n ASN 9 Ca 0.53 0.79 0.00 0.00 -0.60 0.00 0.00 54.58 55.30 1p4q n ASN 9 Cb 0.48 -4.80 0.00 0.00 -0.53 0.00 0.00 39.78 34.93 1p4q n ASN 9 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1p4q n VAL 10 N 0.06 0.00 0.00 3.44 3.14 -1.26 -4.96 118.33 118.75 1p4q n VAL 10 Ca 0.06 0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.56 1p4q n VAL 10 Cb 0.23 -0.37 0.00 0.00 -1.06 0.00 0.00 33.84 32.65 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 -2.39 1.55 3.06 -1.26 -4.98 119.36 115.33 1p4q n ILE 11 Ca 0.00 0.00 -0.08 0.00 -2.50 0.00 0.00 62.75 60.17 1p4q n ILE 11 Cb 0.00 -0.34 0.05 0.00 0.54 0.00 0.00 39.64 39.89 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 2.78 -0.19 9.51 9.92 -1.26 -4.80 116.55 132.52 1p4q n ASP 12 Ca 0.00 -2.83 0.10 0.00 -0.53 0.00 0.00 54.79 51.53 1p4q n ASP 12 Cb 0.00 -0.41 0.48 0.00 -0.64 0.00 0.00 41.12 40.55 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 -0.58 0.07 0.28 -3.53 -2.24 -1.26 -3.84 114.28 103.19 1p4q n THR 13 Ca 0.22 -0.12 0.13 0.00 -2.27 0.00 0.00 64.05 62.01 1p4q n THR 13 Cb 0.89 -0.06 0.60 0.00 -2.10 0.00 0.00 70.33 69.65 1p4q n THR 13 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1p4q h ASP 14 N 0.74 0.00 0.00 3.42 3.32 -2.01 -2.91 116.42 118.98 1p4q h ASP 14 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1p4q h ASP 14 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1p4q h ASP 14 CO 0.00 0.00 -0.31 2.22 -1.72 0.00 0.00 179.24 179.43 1p4q n PHE 15 N -2.37 0.00 -2.35 4.55 1.16 -1.25 -5.06 117.46 112.15 1p4q n PHE 15 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.20 1p4q n PHE 15 Cb 0.14 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 37.98 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 -1.05 3.26 -0.18 1.97 2.07 -1.10 -5.03 121.20 121.14 1p4q s ILE 16 Ca 0.00 1.09 -0.07 0.00 -1.41 0.00 0.00 60.65 60.25 1p4q s ILE 16 Cb 0.00 -3.62 -0.04 0.00 0.13 0.00 0.00 42.46 38.93 1p4q s ILE 16 CO 0.00 0.12 0.06 -0.62 -1.91 0.00 0.00 174.94 172.59 1p4q s ASP 17 N -1.12 5.61 0.23 4.50 2.15 -1.26 -4.97 116.67 121.81 1p4q s ASP 17 Ca 0.55 0.07 0.19 0.00 0.43 0.00 0.00 52.55 53.79 1p4q s ASP 17 Cb -0.30 -1.96 0.90 0.00 -0.30 0.00 0.00 42.92 41.26 1p4q s ASP 17 CO 0.38 0.17 1.57 -1.84 -0.17 0.00 0.00 175.17 175.28 1p4q n GLU 18 N 3.55 0.13 -0.01 4.34 0.28 -1.26 -1.81 120.64 125.86 1p4q n GLU 18 Ca -0.17 0.51 -0.10 0.00 -0.16 0.00 0.00 57.16 57.24 1p4q n GLU 18 Cb 0.52 -1.83 -0.14 0.00 1.43 0.00 0.00 31.44 31.43 1p4q n GLU 18 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1p4q h GLU 19 N 0.00 0.04 0.43 3.44 4.39 -1.99 -3.23 114.58 117.65 1p4q h GLU 19 Ca 0.00 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 1p4q h GLU 19 Cb 0.14 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1p4q h GLU 19 CO 0.00 0.62 -0.20 0.28 -1.16 0.00 0.00 179.01 178.55 1p4q h VAL 20 N 0.01 0.29 -0.06 3.13 2.07 -1.77 -2.86 116.25 117.06 1p4q h VAL 20 Ca -0.29 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 66.64 1p4q h VAL 20 Cb 2.01 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1p4q h VAL 20 CO 0.08 0.06 0.05 0.17 0.02 0.00 0.00 177.57 177.95 1p4q h LEU 21 N -1.04 0.00 0.29 2.57 8.10 -1.71 -2.23 115.31 121.28 1p4q h LEU 21 Ca -0.06 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.92 1p4q h LEU 21 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 1p4q h LEU 21 CO 0.10 0.00 -0.14 -0.03 -4.11 0.00 0.00 178.44 174.25 1p4q h MET 22 N 0.00 -0.38 -0.82 0.17 4.05 -1.56 0.50 114.93 116.89 1p4q h MET 22 Ca 0.03 0.03 0.11 0.00 -0.28 0.00 0.00 59.70 59.58 1p4q h MET 22 Cb 0.12 0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 30.95 1p4q h MET 22 CO -0.00 -0.23 0.53 0.77 0.23 0.00 0.00 176.91 178.22 1p4q h SER 23 N -0.44 0.66 0.89 1.39 0.02 -1.17 0.17 113.55 115.07 1p4q h SER 23 Ca -0.04 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.81 1p4q h SER 23 Cb 0.33 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1p4q h SER 23 CO 0.07 0.38 -0.60 -0.07 -1.14 0.00 0.00 176.83 175.47 1p4q h LEU 24 N 0.72 0.00 -1.32 5.07 3.38 -1.12 -0.54 115.31 121.50 1p4q h LEU 24 Ca 0.39 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.29 1p4q h LEU 24 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1p4q h LEU 24 CO -0.15 0.60 -0.33 0.58 0.09 0.00 0.00 178.44 179.22 1p4q h VAL 25 N 0.00 1.14 0.04 1.22 2.07 0.30 -0.56 116.25 120.46 1p4q h VAL 25 Ca -0.01 -1.18 -0.35 0.00 0.82 0.00 0.00 66.70 65.99 1p4q h VAL 25 Cb 1.21 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 32.58 1p4q h VAL 25 CO 0.08 0.33 -2.09 -0.38 0.02 0.00 0.00 177.57 175.53 1p4q n ILE 26 N -4.00 1.61 -0.05 4.57 -0.00 -0.82 0.10 119.36 120.77 1p4q n ILE 26 Ca -0.02 -0.71 -0.08 0.00 -0.00 0.00 0.00 62.75 61.94 1p4q n ILE 26 Cb 0.39 -1.25 0.08 0.00 -0.00 0.00 0.00 39.64 38.85 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 0.70 0.21 0.38 4.81 -1.02 -3.25 114.58 116.43 1p4q h GLU 27 Ca -0.44 -0.33 -0.33 0.00 -0.13 0.00 0.00 59.36 58.13 1p4q h GLU 27 Cb 2.04 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 31.43 1p4q h GLU 27 CO 0.04 0.93 -1.56 1.98 -0.73 0.00 0.00 179.01 179.67 1p4q h MET 28 N 0.59 0.44 0.00 1.92 4.05 -1.29 -3.49 114.93 117.15 1p4q h MET 28 Ca 0.06 -0.76 0.00 0.00 -0.28 0.00 0.00 59.70 58.72 1p4q h MET 28 Cb 0.86 0.28 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 1p4q h MET 28 CO 0.07 1.36 0.00 0.41 0.23 0.00 0.00 176.91 178.99 1p4q n GLY 29 N 1.79 1.04 0.09 1.39 0.00 -1.18 -5.03 105.19 103.28 1p4q n GLY 29 Ca -0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.87 0.99 3.38 0.41 -3.36 115.31 112.87 1p4q h LEU 30 Ca 0.00 -0.13 -0.59 0.00 0.09 0.00 0.00 57.88 57.25 1p4q h LEU 30 Cb 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.43 1p4q h LEU 30 CO 0.00 0.06 0.24 -0.67 0.09 0.00 0.00 178.44 178.16 1p4q n ASP 31 N -2.38 6.21 -1.33 -0.43 2.03 -0.89 -4.43 116.55 115.34 1p4q n ASP 31 Ca 0.02 -3.77 -0.01 0.00 0.52 0.00 0.00 54.79 51.55 1p4q n ASP 31 Cb 0.49 -0.74 0.01 0.00 -0.72 0.00 0.00 41.12 40.17 1p4q n ASP 31 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1p4q n ARG 32 N -0.88 0.23 -2.99 -0.67 5.12 -1.26 -5.06 116.66 111.15 1p4q n ARG 32 Ca 0.54 -0.32 -0.39 0.00 -1.93 0.00 0.00 57.85 55.75 1p4q n ARG 32 Cb 0.84 0.28 -0.06 0.00 -1.16 0.00 0.00 32.46 32.37 1p4q n ARG 32 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1p4q s ILE 33 N 0.02 4.44 -0.19 0.55 1.01 -1.26 -4.99 121.20 120.80 1p4q s ILE 33 Ca 0.01 1.68 -0.15 0.00 0.00 0.00 0.00 60.65 62.20 1p4q s ILE 33 Cb 0.07 -4.13 -0.21 0.00 0.01 0.00 0.00 42.46 38.21 1p4q s ILE 33 CO -0.02 0.49 0.19 0.29 0.00 0.00 0.00 174.94 175.90 1p4q n LYS 34 N 1.82 0.64 -3.84 2.79 5.02 -1.26 -4.85 118.16 118.48 1p4q n LYS 34 Ca -0.05 0.42 -0.29 0.00 -2.02 0.00 0.00 58.31 56.37 1p4q n LYS 34 Cb 0.49 -1.70 -0.16 0.00 -0.02 0.00 0.00 35.03 33.64 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 -2.45 1.14 -0.34 1.97 2.02 -1.26 -5.10 118.70 114.67 1p4q s GLU 35 Ca -0.28 -0.71 -0.29 0.00 0.02 0.00 0.00 54.97 53.71 1p4q s GLU 35 Cb 0.07 -2.35 0.01 0.00 0.10 0.00 0.00 34.13 31.96 1p4q s GLU 35 CO 0.65 -0.62 1.28 -1.17 0.02 0.00 0.00 175.26 175.41 1p4q s LEU 36 N 1.62 3.81 0.98 1.80 2.96 -1.26 -5.01 118.68 123.58 1p4q s LEU 36 Ca -0.03 1.05 -0.12 0.00 -0.22 0.00 0.00 54.13 54.82 1p4q s LEU 36 Cb -0.18 -3.54 0.18 0.00 0.50 0.00 0.00 46.19 43.15 1p4q s LEU 36 CO -0.07 -1.13 1.09 -2.16 -1.32 0.00 0.00 176.35 172.75 1p4q s PRO 37 N 4.26 0.55 0.34 0.98 0.04 -1.26 -5.01 135.00 134.91 1p4q s PRO 37 Ca 0.55 1.00 -0.17 0.00 0.04 0.00 0.00 61.00 62.41 1p4q s PRO 37 Cb -0.15 -1.71 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 1p4q s PRO 37 CO 0.25 -2.77 0.80 -1.21 0.04 0.00 0.00 177.00 174.10 1p4q s GLU 38 N -4.73 4.11 -0.39 4.56 0.41 -1.26 -5.05 118.70 116.35 1p4q s GLU 38 Ca 0.66 0.83 0.03 0.00 -0.41 0.00 0.00 54.97 56.08 1p4q s GLU 38 Cb -0.21 -2.41 0.11 0.00 -1.78 0.00 0.00 34.13 29.83 1p4q s GLU 38 CO 0.59 0.13 0.11 -1.17 -0.49 0.00 0.00 175.26 174.44 1p4q s LEU 39 N -2.92 4.73 0.05 1.80 1.98 -1.26 -5.09 118.68 117.97 1p4q s LEU 39 Ca 0.55 -2.34 0.04 0.00 -2.89 0.00 0.00 54.13 49.50 1p4q s LEU 39 Cb -0.11 -1.65 -0.02 0.00 0.66 0.00 0.00 46.19 45.07 1p4q s LEU 39 CO 0.17 -0.36 -0.13 0.26 -1.89 0.00 0.00 176.35 174.40 1p4q s TRP 40 N 0.66 1.12 -0.38 5.38 0.23 -1.26 -5.03 118.94 119.65 1p4q s TRP 40 Ca 0.12 -0.39 -0.16 0.00 -2.03 0.00 0.00 56.10 53.64 1p4q s TRP 40 Cb -0.21 -0.65 -0.16 0.00 0.03 0.00 0.00 33.47 32.48 1p4q s TRP 40 CO -0.06 0.03 1.64 1.47 0.96 0.00 0.00 176.95 180.98 1p4q n LEU 41 N 1.69 2.35 -4.86 2.99 -0.00 -1.26 -4.88 117.00 113.03 1p4q n LEU 41 Ca -0.19 -2.02 -0.31 0.00 -0.00 0.00 0.00 56.01 53.48 1p4q n LEU 41 Cb 0.55 -0.78 -0.02 0.00 -0.00 0.00 0.00 43.42 43.17 1p4q n LEU 41 CO 0.22 -0.87 0.65 -0.83 -0.00 0.00 0.00 177.39 176.56 1p4q s GLY 42 N 5.28 1.86 0.00 1.47 0.00 -1.26 -4.89 107.32 109.78 1p4q s GLY 42 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.14 1p4q s GLY 42 CO 0.13 0.24 0.00 -0.18 0.00 0.00 0.00 173.10 173.29 1p4q n GLN 43 N -2.01 0.00 -2.75 2.90 -0.06 -1.26 -4.53 117.38 109.67 1p4q n GLN 43 Ca 0.05 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 55.01 1p4q n GLN 43 Cb 0.54 0.00 0.05 0.00 -4.06 0.00 0.00 30.24 26.77 1p4q n GLN 43 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1p4q n ASN 44 N -3.08 1.26 -0.03 1.69 3.02 -1.26 -4.81 115.26 112.05 1p4q n ASN 44 Ca 0.00 -2.35 0.07 0.00 -0.03 0.00 0.00 54.58 52.28 1p4q n ASN 44 Cb 0.00 -0.40 -0.17 0.00 -0.61 0.00 0.00 39.78 38.60 1p4q n ASN 44 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1p4q n GLU 45 N -0.40 0.67 -0.98 3.52 -0.58 -1.26 -4.46 120.64 117.14 1p4q n GLU 45 Ca 0.06 -0.16 0.04 0.00 -0.42 0.00 0.00 57.16 56.68 1p4q n GLU 45 Cb 0.81 -1.52 0.07 0.00 -0.57 0.00 0.00 31.44 30.24 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 -2.34 0.00 0.04 -0.32 3.01 -1.26 -4.84 117.46 111.75 1p4q n PHE 46 Ca -0.09 -0.69 0.02 0.00 1.01 0.00 0.00 57.45 57.70 1p4q n PHE 46 Cb 0.67 -0.16 0.13 0.00 -0.01 0.00 0.00 39.48 40.11 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 -0.15 0.12 0.00 4.37 2.03 -1.26 -2.03 116.55 119.64 1p4q n ASP 47 Ca 0.09 0.54 0.03 0.00 0.52 0.00 0.00 54.79 55.97 1p4q n ASP 47 Cb 0.91 -0.55 0.14 0.00 -0.72 0.00 0.00 41.12 40.90 1p4q n ASP 47 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1p4q n PHE 48 N -1.65 0.00 1.50 -0.67 3.72 -1.26 -2.21 117.46 116.89 1p4q n PHE 48 Ca -0.00 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 1p4q n PHE 48 Cb 0.03 -0.32 0.55 0.00 -0.94 0.00 0.00 39.48 38.79 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 -1.32 0.75 0.00 -1.08 2.81 -0.86 -1.74 117.12 115.68 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 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 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 -0.88 0.00 0.29 2.03 -2.24 -0.94 -4.59 114.28 107.94 1p4q n THR 50 Ca 0.14 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.99 1p4q n THR 50 Cb 0.06 -0.23 0.23 0.00 -2.10 0.00 0.00 70.33 68.29 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 -0.51 2.94 0.00 3.42 8.00 -1.26 -5.24 116.55 123.91 1p4q n ASP 51 Ca 0.00 -2.12 0.00 0.00 0.71 0.00 0.00 54.79 53.38 1p4q n ASP 51 Cb 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1p4q n ASP 51 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14