#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 6.29 0.06 1.61 1.04 -1.26 -4.98 113.70 116.47 1p4q s SER 2 Ca 0.00 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 55.01 1p4q s SER 2 Cb 0.00 -2.37 -0.00 0.00 0.10 0.00 0.00 66.02 63.75 1p4q s SER 2 CO 0.00 -1.22 0.08 0.61 0.98 0.00 0.00 173.24 173.68 1p4q n GLY 3 N 5.30 3.22 1.18 7.32 0.00 -1.26 -5.19 105.19 115.76 1p4q n GLY 3 Ca 0.01 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 1p4q n GLY 3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1p4q n SER 4 N -2.26 1.85 -3.17 1.61 2.88 -1.26 -4.95 113.62 108.33 1p4q n SER 4 Ca 0.00 -1.74 -0.04 0.00 -1.33 0.00 0.00 58.87 55.76 1p4q n SER 4 Cb 0.10 0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1p4q n SER 4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p4q n GLY 5 N 2.23 -1.24 2.80 0.46 0.00 -1.26 -4.94 105.19 103.23 1p4q n GLY 5 Ca -0.05 0.49 -0.37 0.00 0.00 0.00 0.00 46.02 46.10 1p4q n GLY 5 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1p4q n SER 6 N -1.96 5.34 -2.65 1.61 7.64 -1.26 -5.03 113.62 117.31 1p4q n SER 6 Ca -0.04 -3.41 -0.06 0.00 1.01 0.00 0.00 58.87 56.37 1p4q n SER 6 Cb 0.53 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 1p4q n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p4q n GLY 7 N 1.21 2.75 0.74 0.23 0.00 -1.26 -5.06 105.19 103.80 1p4q n GLY 7 Ca 0.27 -2.19 0.03 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.16 0.81 -3.51 1.61 2.88 -1.26 -5.04 113.62 106.95 1p4q n SER 8 Ca 0.00 -2.35 -0.16 0.00 -1.33 0.00 0.00 58.87 55.04 1p4q n SER 8 Cb 0.14 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 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 -0.18 -6.01 0.00 -3.46 3.02 -1.26 -4.99 115.26 102.39 1p4q n ASN 9 Ca 0.06 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 1p4q n ASN 9 Cb 0.82 -3.22 0.00 0.00 -0.61 0.00 0.00 39.78 36.77 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 -2.48 0.00 0.00 2.41 3.14 -1.26 -4.98 118.33 115.16 1p4q n VAL 10 Ca -0.18 0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 1p4q n VAL 10 Cb 0.61 -0.05 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 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 -2.46 1.55 3.06 -1.26 -4.98 119.36 115.28 1p4q n ILE 11 Ca 0.00 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.13 1p4q n ILE 11 Cb 0.00 -0.25 0.04 0.00 0.54 0.00 0.00 39.64 39.96 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 3.16 -0.10 9.51 8.00 -1.26 -4.81 116.55 131.05 1p4q n ASP 12 Ca 0.00 -2.85 0.04 0.00 0.71 0.00 0.00 54.79 52.69 1p4q n ASP 12 Cb 0.00 -0.42 0.20 0.00 -0.02 0.00 0.00 41.12 40.89 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 -0.64 0.06 0.62 -3.53 -2.24 -1.26 -3.79 114.28 103.51 1p4q n THR 13 Ca 0.25 -0.07 0.08 0.00 -2.27 0.00 0.00 64.05 62.03 1p4q n THR 13 Cb 0.88 -0.04 0.36 0.00 -2.10 0.00 0.00 70.33 69.42 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 -0.44 0.00 0.00 3.42 -0.08 -1.26 -2.43 116.55 115.76 1p4q n ASP 14 Ca 0.06 0.31 0.00 0.00 -1.51 0.00 0.00 54.79 53.65 1p4q n ASP 14 Cb 0.07 -0.41 0.00 0.00 2.34 0.00 0.00 41.12 43.12 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 -1.41 0.00 -2.37 -0.67 1.16 -1.25 -5.06 117.46 107.87 1p4q n PHE 15 Ca 0.05 -0.07 -0.36 0.00 -1.87 0.00 0.00 57.45 55.20 1p4q n PHE 15 Cb 0.16 -0.01 -0.02 0.00 -1.61 0.00 0.00 39.48 38.00 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 -0.15 3.37 -0.16 1.97 1.10 -1.02 -5.03 121.20 121.28 1p4q s ILE 16 Ca 0.00 0.94 -0.06 0.00 -0.51 0.00 0.00 60.65 61.01 1p4q s ILE 16 Cb 0.00 -3.43 -0.04 0.00 0.15 0.00 0.00 42.46 39.14 1p4q s ILE 16 CO 0.00 -0.10 0.06 -0.62 -2.11 0.00 0.00 174.94 172.17 1p4q s ASP 17 N -1.65 5.69 0.56 4.50 2.15 -1.26 -4.98 116.67 121.68 1p4q s ASP 17 Ca 0.66 0.15 0.38 0.00 0.43 0.00 0.00 52.55 54.17 1p4q s ASP 17 Cb -0.23 -1.90 1.99 0.00 -0.30 0.00 0.00 42.92 42.48 1p4q s ASP 17 CO 0.28 0.24 2.15 -0.33 -0.17 0.00 0.00 175.17 177.34 1p4q h GLU 18 N 6.17 0.00 0.00 4.34 4.39 -1.99 -0.96 114.58 126.53 1p4q h GLU 18 Ca -0.42 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.22 1p4q h GLU 18 Cb 1.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1p4q h GLU 18 CO 0.66 0.00 -1.42 0.39 -1.16 0.00 0.00 179.01 177.48 1p4q n GLU 19 N -2.86 0.63 -0.03 2.33 -0.58 -1.26 -3.77 120.64 115.10 1p4q n GLU 19 Ca -0.02 0.06 -0.14 0.00 -0.42 0.00 0.00 57.16 56.64 1p4q n GLU 19 Cb 0.09 -1.73 -0.10 0.00 -0.57 0.00 0.00 31.44 29.13 1p4q n GLU 19 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1p4q h VAL 20 N 0.00 1.45 0.16 2.62 2.07 -1.59 -2.58 116.25 118.38 1p4q h VAL 20 Ca -0.07 -1.64 -0.00 0.00 0.82 0.00 0.00 66.70 65.81 1p4q h VAL 20 Cb 1.21 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 1p4q h VAL 20 CO 0.01 0.46 -0.24 -0.07 0.02 0.00 0.00 177.57 177.75 1p4q h LEU 21 N -0.30 -0.68 -0.80 2.57 3.38 -1.65 0.21 115.31 118.04 1p4q h LEU 21 Ca -0.01 0.06 0.18 0.00 0.09 0.00 0.00 57.88 58.20 1p4q h LEU 21 Cb 0.85 0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.69 1p4q h LEU 21 CO 0.04 -0.29 -0.07 -0.03 0.09 0.00 0.00 178.44 178.19 1p4q h MET 22 N -0.42 0.05 -0.46 1.13 4.05 -1.68 0.25 114.93 117.85 1p4q h MET 22 Ca -0.02 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1p4q h MET 22 Cb 0.38 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.15 1p4q h MET 22 CO -0.07 0.03 0.25 0.77 0.23 0.00 0.00 176.91 178.12 1p4q h SER 23 N 0.05 0.59 0.44 1.39 0.02 -1.11 -1.82 113.55 113.10 1p4q h SER 23 Ca 0.43 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 1p4q h SER 23 Cb 0.74 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1p4q h SER 23 CO -0.76 0.52 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.28 1p4q h LEU 24 N 0.61 0.00 -0.02 5.07 3.38 0.24 0.14 115.31 124.73 1p4q h LEU 24 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1p4q h LEU 24 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1p4q h LEU 24 CO -0.02 0.10 -0.10 0.58 0.09 0.00 0.00 178.44 179.08 1p4q h VAL 25 N 0.00 1.50 -0.12 1.22 2.07 0.15 -2.65 116.25 118.42 1p4q h VAL 25 Ca -0.00 -1.62 -0.20 0.00 0.82 0.00 0.00 66.70 65.69 1p4q h VAL 25 Cb 0.34 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1p4q h VAL 25 CO 0.01 0.44 -0.76 0.40 0.02 0.00 0.00 177.57 177.68 1p4q h ILE 26 N -0.51 1.32 -0.29 4.57 5.03 -1.20 1.17 117.51 127.60 1p4q h ILE 26 Ca -0.01 -2.05 0.02 0.00 -0.12 0.00 0.00 64.86 62.70 1p4q h ILE 26 Cb 0.76 2.04 -0.02 0.00 -3.03 0.00 0.00 36.82 36.57 1p4q h ILE 26 CO 0.02 0.63 0.14 -0.08 -0.68 0.00 0.00 178.15 178.18 1p4q h GLU 27 N 0.42 0.29 0.17 2.37 4.81 -0.81 -3.20 114.58 118.63 1p4q h GLU 27 Ca -0.04 -0.02 -0.36 0.00 -0.13 0.00 0.00 59.36 58.81 1p4q h GLU 27 Cb 1.36 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1p4q h GLU 27 CO 0.14 0.19 -1.82 1.98 -0.73 0.00 0.00 179.01 178.77 1p4q h MET 28 N 0.30 0.36 0.00 1.92 4.05 -1.52 -3.49 114.93 116.55 1p4q h MET 28 Ca 0.12 -0.62 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 1p4q h MET 28 Cb 0.05 0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 1p4q h MET 28 CO -0.09 1.29 0.00 0.41 0.23 0.00 0.00 176.91 178.75 1p4q n GLY 29 N 1.90 1.69 0.03 1.39 0.00 0.12 -5.01 105.19 105.31 1p4q n GLY 29 Ca -0.27 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 0.19 -1.76 0.99 4.77 0.36 -2.73 117.00 118.82 1p4q n LEU 30 Ca 0.00 0.54 -0.04 0.00 -0.03 0.00 0.00 56.01 56.48 1p4q n LEU 30 Cb 0.00 -0.51 0.26 0.00 -2.33 0.00 0.00 43.42 40.84 1p4q n LEU 30 CO 0.00 -0.28 0.90 -0.67 -1.33 0.00 0.00 177.39 176.01 1p4q n ASP 31 N -1.71 4.38 -2.66 -1.43 2.03 -1.24 -4.57 116.55 111.35 1p4q n ASP 31 Ca 0.04 -2.96 -0.03 0.00 0.52 0.00 0.00 54.79 52.36 1p4q n ASP 31 Cb 0.22 -0.70 0.05 0.00 -0.72 0.00 0.00 41.12 39.97 1p4q n ASP 31 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1p4q n ARG 32 N 0.01 0.05 -3.50 -0.67 0.63 -1.11 -5.12 116.66 106.95 1p4q n ARG 32 Ca 0.32 -0.62 -0.38 0.00 -0.92 0.00 0.00 57.85 56.25 1p4q n ARG 32 Cb 1.18 0.21 -0.10 0.00 0.45 0.00 0.00 32.46 34.21 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 0.74 5.25 0.09 5.15 1.01 -1.26 -4.97 121.20 127.21 1p4q s ILE 33 Ca 0.23 0.38 -0.16 0.00 0.00 0.00 0.00 60.65 61.10 1p4q s ILE 33 Cb 0.16 -3.61 -0.08 0.00 0.01 0.00 0.00 42.46 38.94 1p4q s ILE 33 CO -0.10 0.22 1.45 0.11 0.00 0.00 0.00 174.94 176.62 1p4q h LYS 34 N 8.13 0.62 -3.07 2.79 1.79 -2.01 -3.43 116.57 121.39 1p4q h LYS 34 Ca -0.34 -0.28 -0.30 0.00 -2.18 0.00 0.00 60.65 57.55 1p4q h LYS 34 Cb 1.17 -0.01 -0.36 0.00 -1.58 0.00 0.00 32.23 31.45 1p4q h LYS 34 CO 0.61 0.86 -0.65 -1.21 -1.08 0.00 0.00 179.45 177.99 1p4q s GLU 35 N -4.56 0.03 -0.40 3.15 2.02 -1.26 -5.12 118.70 112.56 1p4q s GLU 35 Ca -0.13 0.51 -0.29 0.00 0.02 0.00 0.00 54.97 55.09 1p4q s GLU 35 Cb 0.08 -0.38 0.01 0.00 0.10 0.00 0.00 34.13 33.94 1p4q s GLU 35 CO 0.80 -0.34 1.29 -1.17 0.02 0.00 0.00 175.26 175.86 1p4q s LEU 36 N 2.28 3.69 0.79 1.80 2.96 -1.26 -5.02 118.68 123.92 1p4q s LEU 36 Ca 0.03 0.83 -0.11 0.00 -0.22 0.00 0.00 54.13 54.66 1p4q s LEU 36 Cb -0.12 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.09 1p4q s LEU 36 CO -0.06 -1.27 1.10 -2.16 -1.32 0.00 0.00 176.35 172.64 1p4q s PRO 37 N 4.55 2.16 0.57 0.98 0.04 -1.26 -5.04 135.00 137.00 1p4q s PRO 37 Ca 0.55 0.61 -0.17 0.00 0.04 0.00 0.00 61.00 62.04 1p4q s PRO 37 Cb -0.12 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 1p4q s PRO 37 CO 0.29 -1.56 1.06 -1.21 0.04 0.00 0.00 177.00 175.62 1p4q s GLU 38 N -5.18 3.42 -0.38 4.56 8.01 -1.26 -5.03 118.70 122.84 1p4q s GLU 38 Ca 0.60 1.26 0.04 0.00 0.01 0.00 0.00 54.97 56.89 1p4q s GLU 38 Cb -0.14 -2.04 0.11 0.00 -4.31 0.00 0.00 34.13 27.74 1p4q s GLU 38 CO 0.54 -0.73 0.10 -0.51 0.01 0.00 0.00 175.26 174.66 1p4q s LEU 39 N -4.23 4.55 0.18 1.80 2.01 -1.26 -5.09 118.68 116.64 1p4q s LEU 39 Ca 0.65 -2.33 0.03 0.00 0.01 0.00 0.00 54.13 52.50 1p4q s LEU 39 Cb -0.17 -1.60 -0.05 0.00 0.01 0.00 0.00 46.19 44.39 1p4q s LEU 39 CO 0.32 -0.35 -0.04 0.26 1.01 0.00 0.00 176.35 177.55 1p4q s TRP 40 N 0.67 1.33 0.39 0.29 0.23 -1.26 -5.03 118.94 115.56 1p4q s TRP 40 Ca 0.12 -0.88 0.21 0.00 -2.03 0.00 0.00 56.10 53.52 1p4q s TRP 40 Cb -0.20 -0.74 1.24 0.00 0.03 0.00 0.00 33.47 33.80 1p4q s TRP 40 CO -0.07 -0.04 1.65 1.37 0.96 0.00 0.00 176.95 180.82 1p4q h LEU 41 N 2.66 0.39 0.00 2.99 -0.00 -1.96 -3.44 115.31 115.95 1p4q h LEU 41 Ca -0.37 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 1p4q h LEU 41 Cb 1.20 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.99 1p4q h LEU 41 CO 0.64 -0.16 0.00 0.61 -0.00 0.00 0.00 178.44 179.53 1p4q n GLY 42 N -1.39 4.19 3.27 0.17 0.00 -1.26 -4.76 105.19 105.40 1p4q n GLY 42 Ca 0.34 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 46.20 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 13.11 -0.58 0.02 1.61 1.13 -1.26 -4.92 117.38 126.49 1p4q n GLN 43 Ca 0.00 -0.14 0.11 0.00 -1.94 0.00 0.00 57.00 55.03 1p4q n GLN 43 Cb 0.00 -1.59 -0.00 0.00 0.11 0.00 0.00 30.24 28.76 1p4q n GLN 43 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1p4q n ASN 44 N -0.17 0.62 0.00 1.08 3.02 -1.26 -4.02 115.26 114.53 1p4q n ASN 44 Ca 0.03 -0.33 0.09 0.00 -0.03 0.00 0.00 54.58 54.34 1p4q n ASN 44 Cb 0.58 0.88 0.44 0.00 -0.61 0.00 0.00 39.78 41.08 1p4q n ASN 44 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1p4q n GLU 45 N -1.88 0.15 -0.21 3.52 0.00 -1.26 -2.45 120.64 118.51 1p4q n GLU 45 Ca 0.02 0.14 0.06 0.00 0.00 0.00 0.00 57.16 57.38 1p4q n GLU 45 Cb 0.42 -1.50 0.08 0.00 0.00 0.00 0.00 31.44 30.44 1p4q n GLU 45 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1p4q n PHE 46 N -1.39 0.00 0.26 4.31 3.01 -1.26 -4.77 117.46 117.63 1p4q n PHE 46 Ca 0.07 -0.61 0.17 0.00 1.01 0.00 0.00 57.45 58.08 1p4q n PHE 46 Cb 0.18 -0.11 0.89 0.00 -0.01 0.00 0.00 39.48 40.44 1p4q n PHE 46 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1p4q h ASP 47 N 0.00 0.00 0.29 4.37 5.19 -1.63 -0.84 116.42 123.80 1p4q h ASP 47 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1p4q h ASP 47 Cb 1.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.61 1p4q h ASP 47 CO 0.00 0.00 0.00 0.49 -3.12 0.00 0.00 179.24 176.61 1p4q n PHE 48 N -2.67 0.01 1.26 4.55 3.01 -1.26 -1.98 117.46 120.38 1p4q n PHE 48 Ca -0.02 0.01 0.03 0.00 1.01 0.00 0.00 57.45 58.47 1p4q n PHE 48 Cb 0.08 -0.51 0.08 0.00 -0.01 0.00 0.00 39.48 39.13 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 -1.51 1.52 -0.03 -1.08 0.00 -0.32 -3.85 117.12 111.85 1p4q n MET 49 Ca 0.02 -0.67 -0.21 0.00 0.00 0.00 0.00 57.70 56.84 1p4q n MET 49 Cb 0.10 -1.24 -0.13 0.00 0.00 0.00 0.00 33.22 31.95 1p4q n MET 49 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1p4q h THR 50 N 1.04 0.98 -0.06 3.17 1.35 -1.64 -3.48 112.91 114.28 1p4q h THR 50 Ca 0.00 -2.32 -0.02 0.00 -0.55 0.00 0.00 66.41 63.52 1p4q h THR 50 Cb 0.36 2.58 -0.01 0.00 -1.73 0.00 0.00 68.15 69.35 1p4q h THR 50 CO 0.02 0.61 -0.02 -0.67 -0.25 0.00 0.00 175.52 175.21 1p4q n ASP 51 N -4.05 -4.80 0.00 5.36 -0.08 -1.25 -5.22 116.55 106.50 1p4q n ASP 51 Ca -0.27 0.03 0.05 0.00 -1.51 0.00 0.00 54.79 53.09 1p4q n ASP 51 Cb 0.83 -2.41 0.30 0.00 2.34 0.00 0.00 41.12 42.19 1p4q n ASP 51 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81